WorldWideScience

Sample records for charged fullerenes produced

  1. Combustion method for producing fullerenes

    Science.gov (United States)

    Howard, Jack B.; McKinnon, J. Thomas

    1993-01-01

    A method for synthesizing fullerenes in flames is provided. Fullerenes are prepared by burning carbon-containing compounds in a flame and collecting the condensibles. The condensibles contain the desired fullerenes. Fullerene yields can be optimized and fullerene composition can be selectively varied. Fullerene yields and compositions are determined by selectively controlling flame conditions and parameters such as C/O ratio, pressure, temperature, residence time, diluent concentration and gas velocity.

  2. Multiply-negatively charged aluminium clusters and fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Walsh, Noelle

    2008-07-15

    Multiply negatively charged aluminium clusters and fullerenes were generated in a Penning trap using the 'electron-bath' technique. Aluminium monoanions were generated using a laser vaporisation source. After this, two-, three- and four-times negatively charged aluminium clusters were generated for the first time. This research marks the first observation of tetra-anionic metal clusters in the gas phase. Additionally, doubly-negatively charged fullerenes were generated. The smallest fullerene dianion observed contained 70 atoms. (orig.)

  3. Optical vortex driven charge current loop and optomagnetism in fullerenes

    CERN Document Server

    Wätzel, Jonas; Schäffer, Alexander; Berakdar, Jamal

    2016-01-01

    Endohedral molecular magnets, e.g. as realized in fullerenes containing $\\rm DySc_{2}N$, are promising candidates for molecular electronics and quantum information processing. For their functionalization an ultrafast local magnetization control is essential. Using full ab-initio quantum chemistry calculations we predict the emergence of charge current loops in fullerenes with an associated orbital magnetic moment upon irradiation with weak light vortex pulses that transfer orbital angular momentum. The generated current is controllable by the frequency, the vortex topological charge, and the intensity of the light. Numerical and analytical results show that an ultraviolet vortex femtosecond pulse with an intensity $\\sim10^{13}$ W/cm$^2$ generates non-invasively nA unidirectional surface current with an associated magnetic field of hundreds $\\mu$T at the center of the fullerene.

  4. A charge patching method for fullerenes and semiconductor alloys

    Science.gov (United States)

    Wang, Lin-Wang

    2002-03-01

    A charge patching method is developed to generate the local density approximation (LDA) charge density of a large system without doing a direct LDA calculation for such a system. Charge density motifs are developed from small system LDA calculations. These motifs belong to individual atoms embedded in given atomic environments. For a large system (thousands of atoms), these motifs are assembled to generate the LDA charge density. This charge patching method is tested for fullerenes (carbon nanotubes, buckyballs, nanotube-join, etc) and GaAsN (impurity, pair, superlattice, alloy, etc). The patched charge densities differ from the direct LDA charge densities by about 1single electron eigen values differ from LDA results by less than 50 meV. If Harris functional is used to calculate the total energy using the patched charge density, the total energies differ from the LDA results by about 1 meV per atom. This charge patching method can be used in conjunction with the folded spectrum method to calculate the electronic structures of large systems (>thousand atoms) with ab initio accuracy and reliability.

  5. Magnetic ordering in fullerene charge-transfer complexes

    Science.gov (United States)

    Sato, Tohru; Yamabe, Tokio; Tanaka, Kazuyoshi

    1997-07-01

    We have determined the ground states of the charge-transfer (CT) complexes in which the energy levels of the highest occupied molecular orbital (HOMO) of donors and the lowest unoccupied MO (LUMO) of acceptors are closely located, and examined some fullerene complexes consisting of C60, C70, tetrakis(dimethylamino)ethylene (TDAE), and 1,1',3,3'-tetramethyl-Δ2,2'-bi(imidazolidine) (TMBI). The observed magnetic properties of TDAE-C60, TMBI-C60, and TDAE-C70 can be accounted for by employing realistic parameters. The effective Hamiltonian including up to the fourth-order perturbation has also been derived in the fourfold degenerate model space. The effective Hamiltonian can plausibly reproduce the magnetic phase diagram obtained by the variational treatment of TDAE-C60. It has been shown that the third and the fourth processes contribute to the stabilization of the antiferromagnetic state.

  6. Fullerenes

    CERN Document Server

    Ehrenreich, Henry

    1994-01-01

    Fullerenes or"buckyballs,"a new carbon-based family of materials, have fascinated the scientific community for the past few years. These materials are likely to find applications ranging from lubricants to batteries to biological magic bullets, which will be of great importance in the science and technology of the next century. This carefully edited volume, the first to include Frans Spaepen as co-editor, summarizes our present understanding in a series of didacticarticles, which take the reader from the fundamentals to the present cutting-edge research. A general overview is followed by chapters devoted to synthesis and characterization of fullerenes and their derivatives, the novel structural properties of buckyballs, tubes, and buckyonions, a theoretical and experimental view of electrons and phonons, and finally to the fascinating superconducting properties of these materials.Key Features* Presents systematic overview of entire field* Discusses synthesis, characterization, structure, and superconducting p...

  7. Analysis of charge photogeneration as a key determinant of photocurrent density in polymer: fullerene solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Tracey M.; Shoaee, Safa; Soon, Ying W.; Durrant, James R. [Centre for Plastic Electronics, Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Ballantyne, Amy; Nelson, Jenny [Centre for Plastic Electronics, Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Duffy, Warren; Heeney, Martin; McCulloch, Iain [Centre for Plastic Electronics, Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Merck Chemicals, Chilworth Science Park, Southampton SO16 7QD (United Kingdom)

    2010-12-07

    Charge photogeneration: The correlation between the efficiency of photogeneration of dissociated polarons and photocurrent densities for organic solar cells based on polymer:fullerene blend films is investigated. Optical assays of polaron yield measured in films without electrodes show a remarkably clear correlation with short circuit density and quantum yield measured in complete devices. For the blend films studied herein, the primary determinant of photocurrent generation is the efficiency of dissociation of photogenerated charges away from the polymer/fullerene interface and the primary loss pathway is geminate recombination. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Anion-Dependent Aggregate Formation and Charge Behavior of Colloidal Fullerenes (n-C60)

    Science.gov (United States)

    The fate and transport of colloidal fullerenes (n-C60) in the environment is likely to be guided by electrokinetic and aggregation behavior. In natural water bodies inorganic ions exert significant effects in determining the size and charge of n-C60 nanoparticles. Although the ef...

  9. Direct Observation of Sub-100 fs Mobile Charge Generation in a Polymer-Fullerene Film

    DEFF Research Database (Denmark)

    Cooke, D. G.; Krebs, Frederik C; Jepsen, Peter Uhd

    2012-01-01

    The formation of mobile charges in a roll-to-roll processed poly-3-hexylthiophene-fullerene bulk heterojunction film is observed directly by using transient terahertz spectroscopy with sub-100 fs temporal resolution. The transient terahertz ac conductivity reveals that 20% of the incident pump...

  10. Photoinduced charge carriers in conjugated polymer–fullerene composites studied with light-induced electron-spin resonance

    NARCIS (Netherlands)

    Dyakonov, V.; Zoriniants, G.; Scharber, M.; Brabec, C.J.; Janssen, R.A.J.; Hummelen, J.C.; Sariciftci, N.S.

    1999-01-01

    Detailed studies on photoinduced spins in conjugated polymer/fullerene composites using (cw) light-induced electron-spin-resonance (LESR) technique are reported. Two overlapping LESR lines are observed, from positive polarons on the polymer chains and negative charges on the fullerene moieties. Micr

  11. A Close Look at Charge Generation in Polymer:Fullerene Blends with Microstructure Control

    KAUST Repository

    Scarongella, Mariateresa

    2015-03-04

    © 2015 American Chemical Society. We reveal some of the key mechanisms during charge generation in polymer:fullerene blends exploiting our well-defined understanding of the microstructures obtained in pBTTT:PCBM systems via processing with fatty acid methyl ester additives. Based on ultrafast transient absorption, electro-absorption, and fluorescence up-conversion spectroscopy, we find that exciton diffusion through relatively phase-pure polymer or fullerene domains limits the rate of electron and hole transfer, while prompt charge separation occurs in regions where the polymer and fullerene are molecularly intermixed (such as the co-crystal phase where fullerenes intercalate between polymer chains in pBTTT:PCBM). We moreover confirm the importance of neat domains, which are essential to prevent geminate recombination of bound electron-hole pairs. Most interestingly, using an electro-absorption (Stark effect) signature, we directly visualize the migration of holes from intermixed to neat regions, which occurs on the subpicosecond time scale. This ultrafast transport is likely sustained by high local mobility (possibly along chains extending from the co-crystal phase to neat regions) and by an energy cascade driving the holes toward the neat domains.

  12. Origin and impact of recombination via charge transfer excitons in polymer/fullerene solar cells

    Science.gov (United States)

    Hallermann, Markus; da Como, Enrico; Feldmann, Jochen

    2010-03-01

    To further advance the performances of organic photovoltaic cells a thorough understanding of loss mechanisms in polymer/fullerene blends is mandatory. Recombination via charge transfer excitons (CTEs) appears to be a fundamental loss, potentially impacting the open circuit voltage (VOC) and the short circuit current (ISC) of cells. We unravel the origin of CTEs forming in polymer/fullerene blends and discuss their importance in recombination processes considering binding energy [1], polymer conformation [2], and energetic position. CTE photoluminescence (PL) is observed in material combinations such as P3HT and PPV blended with fullerene acceptors. By combining electron microscopy and PL spectroscopy, we show that CTE recombination is only slightly influenced by the mesoscopic morphology, whereas strongly by the polymer chain conformation [2]. By shifting the orbital energies of the fullerene, we tune the CTE PL characteristics. High energy CTE emission results in cells with a beneficial increase in VOC. On the other hand, high energy CTE emission leads to a more efficient recombination impacting directly the ISC. The results highlight a fundamental limit in the efficiency of organic solar cells with CTE recombination. [1] Hallermann et al. APL 2008 [2] Hallermann et al. AFM 2009

  13. Charge Separation and Recombination at Polymer-Fullerene Heterojunctions: Delocalization and Hybridization Effects.

    Science.gov (United States)

    D'Avino, Gabriele; Muccioli, Luca; Olivier, Yoann; Beljonne, David

    2016-02-01

    We address charge separation and recombination in polymer/fullerene solar cells with a multiscale modeling built from accurate atomistic inputs and accounting for disorder, interface electrostatics and genuine quantum effects on equal footings. Our results show that bound localized charge transfer states at the interface coexist with a large majority of thermally accessible delocalized space-separated states that can be also reached by direct photoexcitation, thanks to their strong hybridization with singlet polymer excitons. These findings reconcile the recent experimental reports of ultrafast exciton separation ("hot" process) with the evidence that high quantum yields do not require excess electronic or vibrational energy ("cold" process), and show that delocalization, by shifting the density of charge transfer states toward larger effective electron-hole radii, may reduce energy losses through charge recombination. PMID:26785294

  14. Direct observation of ultrafast long-range charge separation at polymer:fullerene heterojunctions

    Science.gov (United States)

    Silva, Carlos

    2014-03-01

    In polymeric semiconductors, charge carriers are polarons, which means that the excess charge deforms the molecular structure of the polymer chain that hosts it. This effect results in distinctive signatures in the vibrational modes of the polymer. We probe polaron photogeneration dynamics at polymer:fullerene heterojunctions by monitoring its time-resolved resonance-Raman spectrum following ultrafast photoexcitation. We conclude that polarons emerge within 200 fs, which is nearly two orders of magnitude faster than exciton localisation in the neat polymer film. Surprisingly, further vibrational evolution on polarons is not significantly different from that in equilibrium. This suggests that charges are free from their mutual Coulomb potential, under which vibrational dynamics would report charge-pair relaxation. Our work addresses current debates on the photocarrier generation mechanism at organic semiconductor heterojunctions, and is, to our knowledge, the first direct probe of molecular conformation dynamics during this fundamentally important process in these materials.

  15. Direct observation of ultrafast long-range charge separation at polymer-fullerene heterojunctions

    Science.gov (United States)

    Provencher, Françoise; Bérubé, Nicolas; Parker, Anthony W.; Greetham, Gregory M.; Towrie, Michael; Hellmann, Christoph; Côté, Michel; Stingelin, Natalie; Silva, Carlos; Hayes, Sophia C.

    2014-07-01

    In polymeric semiconductors, charge carriers are polarons, which means that the excess charge deforms the molecular structure of the polymer chain that hosts it. This results in distinctive signatures in the vibrational modes of the polymer. Here, we probe polaron photogeneration dynamics at polymer:fullerene heterojunctions by monitoring its time-resolved resonance-Raman spectrum following ultrafast photoexcitation. We conclude that polarons emerge within 300 fs. Surprisingly, further structural evolution on ≲50-ps timescales is modest, indicating that the polymer conformation hosting nascent polarons is not significantly different from that near equilibrium. We interpret this as suggestive that charges are free from their mutual Coulomb potential because we would expect rich vibrational dynamics associated with charge-pair relaxation. We address current debates on the photocarrier generation mechanism at molecular heterojunctions, and our work is, to our knowledge, the first direct probe of molecular conformation dynamics during this fundamentally important process in these materials.

  16. Fast charge separation in a non-fullerene organic solar cell with a small driving force

    Science.gov (United States)

    Liu, Jing; Chen, Shangshang; Qian, Deping; Gautam, Bhoj; Yang, Guofang; Zhao, Jingbo; Bergqvist, Jonas; Zhang, Fengling; Ma, Wei; Ade, Harald; Inganäs, Olle; Gundogdu, Kenan; Gao, Feng; Yan, He

    2016-07-01

    Fast and efficient charge separation is essential to achieve high power conversion efficiency in organic solar cells (OSCs). In state-of-the-art OSCs, this is usually achieved by a significant driving force, defined as the offset between the bandgap (Egap) of the donor/acceptor materials and the energy of the charge transfer (CT) state (ECT), which is typically greater than 0.3 eV. The large driving force causes a relatively large voltage loss that hinders performance. Here, we report non-fullerene OSCs that exhibit ultrafast and efficient charge separation despite a negligible driving force, as ECT is nearly identical to Egap. Moreover, the small driving force is found to have minimal detrimental effects on charge transfer dynamics of the OSCs. We demonstrate a non-fullerene OSC with 9.5% efficiency and nearly 90% internal quantum efficiency despite a low voltage loss of 0.61 V. This creates a path towards highly efficient OSCs with a low voltage loss.

  17. Producing multicharged fullerene ion beam extracted from the second stage of tandem-type ECRIS

    Energy Technology Data Exchange (ETDEWEB)

    Nagaya, Tomoki, E-mail: nagaya@nf.eie.eng.osaka-u.ac.jp; Nishiokada, Takuya; Hagino, Shogo; Otsuka, Takuro; Sato, Fuminobu; Kato, Yushi [Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita-shi, Osaka 565-0871 (Japan); Uchida, Takashi [Graduate School of Interdisciplinary New Science, Toyo University, 2100, Kujirai, Kawagoe-shi, Saitama 350-8585 (Japan); Bio-Nano Electronics Research Centre, Toyo University, 2100, Kujirai, Kawagoe-shi, Saitama 350-8585 (Japan); Muramatsu, Masayuki; Kitagawa, Atsushi [National Institute of Radiological Sciences (NIRS), 4-9-1 Anagawa, Inage-ku, Chiba-shi, Chiba 263-8555 (Japan); Yoshida, Yoshikazu [Graduate School of Interdisciplinary New Science, Toyo University, 2100, Kujirai, Kawagoe-shi, Saitama 350-8585 (Japan); Faculty of Science and Engineering, Toyo University, 2100, Kujirai, Kawagoe-shi, Saitama 350-8585 (Japan)

    2016-02-15

    We have been constructing the tandem-type electron cyclotron resonance ion source (ECRIS). Two ion sources of the tandem-type ECRIS are possible to generate plasma individually, and they also confined individual ion species by each different plasma parameter. Hence, it is considered to be suitable for new materials production. As the first step, we try to produce and extract multicharged C{sub 60} ions by supplying pure C{sub 60} vapor in the second stage plasma because our main target is producing the endohedral fullerenes. We developed a new evaporator to supply fullerene vapor, and we succeeded in observation about multicharged C{sub 60} ion beam in tandem-type ECRIS for the first time.

  18. Neutral and charged boron-doped fullerenes for CO2 adsorption

    OpenAIRE

    de Silva, Suchitra W; Du, Aijun; Senadeera, Wijitha; Gu, Yuantong

    2014-01-01

    Recently, the capture and storage of CO2 have attracted research interest as a strategy to reduce the global emissions of greenhouse gases. It is crucial to find suitable materials to achieve an efficient CO2 capture. Here we report our study of CO2 adsorption on boron-doped C60 fullerene in the neutral state and in the 1e −-charged state. We use first principle density functional calculations to simulate the CO2 adsorption. The results show that CO2 can form weak interactions with the BC5...

  19. Charge transfer complexes of fullerene[60] with porphyrins as molecular rectifiers. A theoretical study.

    Science.gov (United States)

    Montiel, Filiberto; Fomina, Lioudmila; Fomine, Serguei

    2015-01-01

    Molecular diodes based on charge transfer complexes of fullerene[60] with different metalloporphyrins have been modeled. Their current-voltage characteristics and the rectification ratios (RR) were calculated using direct ab initio method at PBE/def2-SVP level of theory with D3 dispersion correction, for voltages ranging from -2 to +2 V. The highest RR of 32.5 was determined for the complex of fullerene[60] with zinc tetraphenylporphyrin at 0.8 V. Other molecular diodes possessed lower RR, however, all complexes showed RR higher than 1 at all bias voltages. The asymmetric evolutions and alignment of the molecular orbitals with the applied bias were found to be essential for generating the molecular diode rectification behavior. Metal nature of metalloporphyrins and the interaction porphyrin-electrode significantly affect RR of molecular diode. Large metal ions like Cd(2+) and Ag(2+) in metalloporphyrins disfavor rectification creating conducting channels in two directions, while smaller ions Zn(2+) and Cu(2+) favor rectification increasing the interaction between gold electrode and porphyrin macrocycle.

  20. Effect of collective response on electron capture and excitation in collisions of highly charged ions with fullerenes.

    Science.gov (United States)

    Kadhane, U; Misra, D; Singh, Y P; Tribedi, Lokesh C

    2003-03-01

    Projectile deexcitation Lyman x-ray emission following electron capture and K excitation has been studied in collisions of bare and Li-like sulphur ions (of energy 110 MeV) with fullerenes (C(60)/C(70)) and different gaseous targets. The intensity ratios of different Lyman x-ray lines in collisions with fullerenes are found to be substantially lower than those for the gas targets, both for capture and excitation. This has been explained in terms of a model based on "solidlike" effect, namely, wakefield induced stark mixing of the excited states populated via electron capture or K excitation: a collective phenomenon of plasmon excitation in the fullerenes under the influence of heavy, highly charged ions.

  1. Effect of collective response on electron capture and excitation in collisions of highly charged ions with fullerenes.

    Science.gov (United States)

    Kadhane, U; Misra, D; Singh, Y P; Tribedi, Lokesh C

    2003-03-01

    Projectile deexcitation Lyman x-ray emission following electron capture and K excitation has been studied in collisions of bare and Li-like sulphur ions (of energy 110 MeV) with fullerenes (C(60)/C(70)) and different gaseous targets. The intensity ratios of different Lyman x-ray lines in collisions with fullerenes are found to be substantially lower than those for the gas targets, both for capture and excitation. This has been explained in terms of a model based on "solidlike" effect, namely, wakefield induced stark mixing of the excited states populated via electron capture or K excitation: a collective phenomenon of plasmon excitation in the fullerenes under the influence of heavy, highly charged ions. PMID:12689221

  2. Charge generation measured for fullerene-helical nanofilament liquid crystal heterojunctions.

    Science.gov (United States)

    Callahan, Rebecca A; Coffey, David C; Chen, Dong; Clark, Noel A; Rumbles, Garry; Walba, David M

    2014-04-01

    The helical nanofilament (HNF) liquid crystal phase is an ordered architecture exhibiting interesting properties for charge transport. It is a small molecule self-assembly of stacked and twisted crystalline layers, which form alignable organic nanorods with half the surface area of the filaments consisting of aromatic sublayer edges. HNFs mixed with an electron acceptor generate an intriguing network for photoinduced electron transfer (PET). In this work, we characterize the structure of the HNF phase as processed into thin films with transmission electron microscopy (TEM) and X-ray diffraction (XRD). Additionally, we measure the flash-photolysis time-resolved microwave conductivity (TRMC) in samples where the HNF phase is fabricated into heterojunctions with the fullerenes C60 and PC60BM, prototypical electron acceptors for organic photovoltaics. Two distinct microstructures of the thin films were identified and compared for PET. A near-unity charge generation yield is observed in a bilayer of HNFs with C60. Moreover, the HNF phase is shown to be 10× better at charge generation than a lamellar structuring of the same components. Thus, the HNF phase is shown to be a good charge-generation interface.

  3. Direct observation of ultrafast long-range charge separation at polymer–fullerene heterojunctions

    KAUST Repository

    Provencher, Françoise

    2014-07-01

    In polymeric semiconductors, charge carriers are polarons, which means that the excess charge deforms the molecular structure of the polymer chain that hosts it. This results in distinctive signatures in the vibrational modes of the polymer. Here, we probe polaron photogeneration dynamics at polymer:fullerene heterojunctions by monitoring its time-resolved resonance-Raman spectrum following ultrafast photoexcitation. We conclude that polarons emerge within 300 fs. Surprisingly, further structural evolution on ≤50-ps timescales is modest, indicating that the polymer conformation hosting nascent polarons is not significantly different from that near equilibrium. We interpret this as suggestive that charges are free from their mutual Coulomb potential because we would expect rich vibrational dynamics associated with charge-pair relaxation. We address current debates on the photocarrier generation mechanism at molecular heterojunctions, and our work is, to our knowledge, the first direct probe of molecular conformation dynamics during this fundamentally important process in these materials. © 2014 Macmillan Publishers Limited. All rights reserved.

  4. Neutral and charged boron-doped fullerenes for CO2 adsorption

    Directory of Open Access Journals (Sweden)

    Suchitra W. de Silva

    2014-04-01

    Full Text Available Recently, the capture and storage of CO2 have attracted research interest as a strategy to reduce the global emissions of greenhouse gases. It is crucial to find suitable materials to achieve an efficient CO2 capture. Here we report our study of CO2 adsorption on boron-doped C60 fullerene in the neutral state and in the 1e−-charged state. We use first principle density functional calculations to simulate the CO2 adsorption. The results show that CO2 can form weak interactions with the BC59 cage in its neutral state and the interactions can be enhanced significantly by introducing an extra electron to the system.

  5. Optical studies of the charge transfer complex in polythiophene/fullerene blends for organic photovoltaic applications

    Science.gov (United States)

    Drori, T.; Holt, J.; Vardeny, Z. V.

    2010-08-01

    We studied the photophysics of regioregular polythiophene/ C61 (RR-P3HT/PCBM) blend films utilized for organic photovoltaic applications using the femtosecond transient and steady-state photomodulation techniques with above-gap and below-gap pump excitations and electroabsorption spectroscopy. We provide strong evidence for the existence of charge transfer complex (CTC) state in the blend that is formed deep inside the optical gap of the polymer and fullerene constituents, which is clearly revealed in the electroabsorption spectrum with an onset at 1.2 eV. We identify this “midgap” band as the lowest lying CTC state formed at the interfaces separating the polymer and fullerene phases. With above-gap pump excitation the primary photoexcitations in the blend are excitons and polarons in the polymer domains that are generated within the experimental time resolution (150 fs), having distinguishable photoinduced absorption (PA) bands in the mid-IR. The photogenerated excitons subsequently decay within ˜10ps , consistent with the polymer weak photoluminescence in the blend. In contrast, with below-gap pump excitation, a new PA band in the mid-IR is generated within our time resolution, which is associated with photogenerated species that decay into polarons at much later times; also no PA of excitons is observed. We interpret the photoexcitations as CT excitons, which with below-gap pump excitation are resonantly generated on the CTC states at the interfaces, as the first step for polaron generation, without involving intrachain excitons in the polymer phase. We found that the polarons generated with below-gap pump excitation are trapped at the interfaces with relatively long lifetime, and thus may generate polarons on the polymer chains and fullerene molecules with a different mechanism than with above-gap excitation. In any case the interfacial polarons generated with below-gap excitation do not substantially contribute to the photocurrent density in photovoltaic

  6. Electronic charge transfer in cobalt doped fullerene thin films and effect of energetic ion impacts by x-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    We report on the electronic charge transfer in cobalt doped fullerene thin films by means of near-edge x-ray-absorption fine structure (NEXAFS) spectroscopy measurement. Co-doped fullerene films were prepared by co-deposition technique and subjected to energetic ion irradiation (120 MeV Au) for possibly alignment or interconnect of randomly distributed metal particles. Polarization dependent NEXAFS spectra revealed the alignment of Co and C atoms along the irradiated ionic path. The structural changes in Co-doped as-deposited and ion irradiated fullerene films were investigated by means of Raman spectroscopy measurements. Downshift of pentagonal pinch mode Ag(2) in Raman spectroscopy indicated the electronic charge transfer from Co atom to fullerene molecules, which is further confirmed by NEXAFS at C K-edge for Co-doped fullerene films.

  7. The impact of electrostatic interactions on ultrafast charge transfer at Ag 29 nanoclusters–fullerene and CdTe quantum dots–fullerene interfaces

    KAUST Repository

    Ahmed, Ghada H.

    2015-11-09

    A profound understanding of charge transfer (CT) at semiconductor quantum dots (QDs) and nanoclusters (NCs) interfaces is extremely important to optimize the energy conversion efficiency in QDs and NCs-based solar cell devices. Here, we report on the ground- and excited-state interactions at the interface of two different bimolecular non-covalent donor-acceptor (D-A) systems using steady-state and femtosecond transient absorption (fs-TA) spectroscopy with broadband capabilities. We systematically investigate the electrostatic interactions between the positively charged fullerene derivative C60-(N,N dimethylpyrrolidinium iodide) (CF) employed as an efficient molecular acceptor and two different donor molecules: Ag29 nanoclusters (NCs) and CdTe quantum dots (QDs). For comparison purposes, we also monitor the interaction of each donor molecule with the neutral fullerene derivative C60-(malonic acid)n, which has minimal electrostatic interactions. Our steady-state and time-resolved data demonstrate that both QDs and NCs have strong interfacial electrostatic interactions and dramatic fluorescence quenching when the CF derivative is present. In other words, our results reveal that only CF can be in close molecular proximity with the QDs and NCs, allowing ultrafast photoinduced CT to occur. It turned out that the intermolecular distances, electronic coupling and subsequently CT from the excited QDs or NCs to fullerene derivatives can be controlled by the interfacial electrostatic interactions. Our findings highlight some of the key variable components for optimizing CT at QDs and NCs interfaces, which can also be applied to other D-A systems that rely on interfacial CT. © The Royal Society of Chemistry 2016.

  8. Ultrafast dynamics of charge carrier photogeneration and geminate recombination in conjugated polymer:fullerene solar cells

    Science.gov (United States)

    Müller, J. G.; Lupton, J. M.; Feldmann, J.; Lemmer, U.; Scharber, M. C.; Sariciftci, N. S.; Brabec, C. J.; Scherf, U.

    2005-11-01

    We investigate the nature of ultrafast exciton dissociation and carrier generation in acceptor-doped conjugated polymers. Using a combination of two-pulse femtosecond spectroscopy with photocurrent detection, we compare the exciton dissociation and geminate charge recombination dynamics in blends of two conjugated polymers, MeLPPP [methyl-substituted ladder-type poly( p -phenylene)] and MDMO-PPV [poly(2-methoxy,5-(3,7-dimethyloctyloxy)-1,4-phenylenevinylene], with the electron accepting fullerene derivative PCBM [1-(3-methoxycarbonyl)-propyl-1-phenyl- (6,6)C61 ]. This technique allows us to distinguish between free charge carriers and Coulombically bound polaron pairs. Our results highlight the importance of geminate pair recombination in photovoltaic devices, which limits the device performance. The comparison of different materials allows us to address the dependence of geminate recombination on the film morphology directly at the polymer:fullerene interface. We find that in the MeLPPP:PCBM blend exciton dissociation generates Coulombically bound geminate polaron pairs with a high probability for recombination, which explains the low photocurrent yield found in these samples. In contrast, in the highly efficient MDMO-PPV:PCBM blend the electron transfer leads to the formation of free carriers. The anisotropy dynamics of electronic transitions from neutral and charged states indicate that polarons in MDMO-PPV relax to delocalized states in ordered domains within 500fs . The results suggest that this relaxation enlarges the distance of carrier separation within the geminate pair, lowering its binding energy and favoring full dissociation. The difference in geminate pair recombination concurs with distinct dissociation dynamics. The electron transfer is preceded by exciton migration towards the PCBM sites. In MeLPPP:PCBM the exciton migration time decays smoothly with increasing PCBM concentration, indicating a trap-free exciton hopping. In MDMO-PPV:PCBM, however

  9. Quantum dynamics of ultrafast charge transfer at an oligothiophene-fullerene heterojunction

    Science.gov (United States)

    Tamura, Hiroyuki; Martinazzo, Rocco; Ruckenbauer, Matthias; Burghardt, Irene

    2012-12-01

    Following up on our recent study of ultrafast charge separation at oligothiophene-fullerene interfaces [H. Tamura, I. Burghardt, and M. Tsukada, J. Phys. Chem. C 115, 10205 (2011), 10.1021/jp203174e], we present here a detailed quantum dynamical perspective on the charge transfer process. To this end, electron-phonon coupling is included non-perturbatively, by an explicit quantum dynamical treatment using the multi-configuration time-dependent Hartree (MCTDH) method. Based upon a distribution of electron-phonon couplings determined from electronic structure studies, a spectral density is constructed and employed to parametrize a linear vibronic coupling Hamiltonian. The diabatic coupling is found to depend noticeably on the inter-fragment distance, whose effect on the dynamics is here investigated. MCTDH calculations of the nonadiabatic transfer dynamics are carried out for the two most relevant electronic states and 60 phonon modes. The electron transfer process is found to be ultrafast and mediated by electronic coherence, resulting in characteristic oscillatory features during a period of about 100 fs.

  10. Anion-Dependent Aggregate Formation and Charge Behavior of Colloidal Fullerenes (n-C60)

    Science.gov (United States)

    Mukherjee, B.; Weaver, J. W.

    2009-12-01

    The fate and transport of colloidal fullerenes (n-C60) in the environment are likely to be guided by their electrokinetic and aggregation behavior. In natural water bodies inorganic ions exert significant effects in determining the size and charge of dispersed n-C60. Although the effects of cations on the behavior of n-C60 have been studied extensively; studies on the effect of anions are relatively few and thus were the focus of our investigation. The effects of anions (e.g., Cl- , SO42-) on average aggregate size (DH) and zeta potential (ZP) of n-C60 were found to be absent in presence of monovalent cations (e.g., Na+) over the tested range of pH (3-to-12) and ionic strength (0-to-20 mM). Similar observations were noted in the presence of multivalent cations (e.g., Mg2+) near acidic and neutral pH conditions. However, under alkaline conditions (pH~10) a strong anion-dependent reversal of surface charge was noted. The ZP of n-C60 changed from -65 mV, when dispersed in DI water, to +4 mV and +40 mV in the presence of SO42- and Cl-, respectively in a 10mM salt concentration (i.e., MgCl2 and MgSO4). The corresponding DH of the dispersed n-C60 changed simultaneously from 115 nm, in DI water, to 1450 nm and 225 nm for the MgSO4 and MgCl2 electrolytes. These findings provide a better understanding of interfacial interaction characteristics of n-C60 NPs, and may lead to remediation strategies for n-C60 NPs in the environment.

  11. Investigation on the interactions between fullerene and β-CD-g-hyperbranched polyglycerol to produce water-soluble fullerene

    Science.gov (United States)

    Eskandari, Mohammad; Najdian, Atena; Soleyman, Rouhollah

    2016-06-01

    Developing a successful way to solubilize C60 in water is a longstanding, critical, and challenging issue in nanotechnology, biological, and medicine applications because of the great potential of fullerene derivatives in anti-viral therapy. In the current study, an efficient strategy for the preparing of water-soluble C60 at room temperature has been developed by complexion of C60 with hyperbranched polyglycerol linked to the β-cyclodextrin core (β-CD-g-HPG). The interactions between C60 and β-CD-g-HPG were investigated using a range of analytical techniques such as FTIR, NMR, UV-vis spectroscopy as well as visual techniques including SEM and AFM images. The particle size for a 1:2 (C60: β-CD-g-HPG) complex was also determined to be monodisperse ∼60 nm from DLS, and it was appropriately matched with the size obtained from SEM pictures. The results show our synthesized hybrid nanomaterials will hopefully find interesting applications in biomedicine.

  12. Ab initio infrared vibrational modes for neutral and charged small fullerenes (C20, C24, C26, C28, C30 and C60).

    Science.gov (United States)

    Adjizian, Jean-Joseph; Vlandas, Alexis; Rio, Jeremy; Charlier, Jean-Christophe; Ewels, Chris P

    2016-09-13

    We calculate the infrared (IR) absorption spectra using DFT B3LYP(6-311G) for a range of small closed-cage fullerenes, Cn, n=20, 24, 26, 28, 30 and 60, in both neutral and multiple positive and negative charge states. The results are of use, notably, for direct comparison with observed IR absorption in the interstellar medium. Frequencies fall typically into two ranges, with C-C stretch modes around 1100-1500 cm(-1) (6.7-9.1 μm) and fullerene-specific radial motion associated with under-coordinated carbon at pentagonal sites in the range 600-800 cm(-1) (12.5-16.7 μm). Notably, negatively charged fullerenes show significantly stronger absorption intensities than neutral species. The results suggest that small cage fullerenes, and notably metallic endofullerenes, may be responsible for many of the unassigned interstellar IR spectral lines.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'. PMID:27501975

  13. Plasmon-plasmon coupling in nested fullerenes: photoexcitation of interlayer plasmonic cross modes

    International Nuclear Information System (INIS)

    Considering the photoionization of a two-layer fullerene-onion system, C60-C240, strong plasmonic couplings between the nested fullerenes are demonstrated. The resulting hybridization produces four cross-over plasmons generated from the bonding and antibonding mixing of excited charge clouds of individual fullerenes. This suggests the possibility of designing buckyonions exhibiting plasmon resonances with specified properties and may motivate future research to modify the resonances with encaged atoms, molecules or clusters. (fast track communication)

  14. Charge transfer excitons in bulk heterojunctions of a polyfluorene copolymer and a fullerene derivative

    NARCIS (Netherlands)

    Loi, Maria Antonietta; Toffanin, Stefano; Muccini, Michele; Forster, Michael; Scherf, Ulrich; Scharber, Markus

    2007-01-01

    The photophysical properties of blends of fluorene copolymer and the fullerene derivative PCBM are analyzed with a particular attention to photovoltaic applications. The properties of the blends are determined by the relative alignment of the HOMO energy levels. In the blend where the HOMO levels of

  15. The Role of Polymer Fractionation in Energetic Losses and Charge Carrier Lifetimes of Polymer: Fullerene Solar Cells

    KAUST Repository

    Baran, Derya

    2015-08-10

    Non-radiative recombination reduces the open-circuit voltage relative to its theoretical limit and leads to reduced luminescence emission at a given excitation. Therefore it is possible to correlate changes in luminescence emission with changes in open-circuit voltage and in the charge carrier lifetime. Here we use luminescence studies combined with transient photovoltage and differential charging analyses to study the effect of polymer fractionation in indacenoedithiophene-co-benzothiadiazole (IDTBT):fullerene solar cells. In this system, polymer fractionation increases electroluminescence and reduces non-radiative recombination. High molecular weight and fractionated IDTBT polymers exhibit higher carrier lifetime-mobility product compared to their non-fractionated analogues, resulting in improved solar cell performance.

  16. The Effect of Interfacial Geometry on Charge-Transfer States in the Phthalocyanine/Fullerene Organic Photovoltaic System.

    Science.gov (United States)

    Lee, Myeong H; Geva, Eitan; Dunietz, Barry D

    2016-05-19

    The dependence of charge-transfer states on interfacial geometry at the phthalocyanine/fullerene organic photovoltaic system is investigated. The effect of deviations from the equilibrium geometry of the donor-donor-acceptor trimer on the energies of and electronic coupling between different types of interfacial electronic excited states is calculated from first-principles. Deviations from the equilibrium geometry are found to destabilize the donor-to-donor charge transfer states and to weaken their coupling to the photoexcited donor-localized states, thereby reducing their ability to serve as charge traps. At the same time, we find that the energies of donor-to-acceptor charge transfer states and their coupling to the donor-localized photoexcited states are either less sensitive to the interfacial geometry or become more favorable due to modifications relative to the equilibrium geometry, thereby enhancing their ability to serve as gateway states for charge separation. Through these findings, we eludicate how interfacial geometry modifications can play a key role in achieving charge separation in this widely studied organic photovoltaic system.

  17. The Effect of Interfacial Geometry on Charge-Transfer States in the Phthalocyanine/Fullerene Organic Photovoltaic System.

    Science.gov (United States)

    Lee, Myeong H; Geva, Eitan; Dunietz, Barry D

    2016-05-19

    The dependence of charge-transfer states on interfacial geometry at the phthalocyanine/fullerene organic photovoltaic system is investigated. The effect of deviations from the equilibrium geometry of the donor-donor-acceptor trimer on the energies of and electronic coupling between different types of interfacial electronic excited states is calculated from first-principles. Deviations from the equilibrium geometry are found to destabilize the donor-to-donor charge transfer states and to weaken their coupling to the photoexcited donor-localized states, thereby reducing their ability to serve as charge traps. At the same time, we find that the energies of donor-to-acceptor charge transfer states and their coupling to the donor-localized photoexcited states are either less sensitive to the interfacial geometry or become more favorable due to modifications relative to the equilibrium geometry, thereby enhancing their ability to serve as gateway states for charge separation. Through these findings, we eludicate how interfacial geometry modifications can play a key role in achieving charge separation in this widely studied organic photovoltaic system. PMID:26237431

  18. Photoinduced charge separation in wide-band capturing, multi-modular bis(donor styryl)BODIPY-fullerene systems.

    Science.gov (United States)

    Obondi, Christopher O; Lim, Gary N; Karr, Paul A; Nesterov, Vladimir N; D'Souza, Francis

    2016-07-21

    A new series of multi-modular donor-acceptor systems capable of exhibiting photoinduced charge separation have been designed, synthesized and characterized using various techniques. In this series, the electron donor was a BF2-chelated dipyrromethene (BODIPY) appended with two styryl linkers carrying two electron rich triphenylamine or phenothiazine entities. Fulleropyrrolidine linked at the meso-position of the BODIPY ring served as an electron acceptor. As a result of extended conjugation and multiple electroactive chromophore entities, the bis-styryl BODIPY revealed absorbance and emission well-into the near-infrared region covering a 300-850 nm spectral range. Using redox, computational, absorbance and emission data, an energy level diagram was constructed that helped in envisioning the different photochemical events. Spectral evidence for photoinduced charge separation in these systems was established from femtosecond and nanosecond transient absorption studies. The measured rate constants indicated fast charge separation and relatively slow charge recombination revealing their usefulness in light energy harvesting and optoelectronic device building applications. The bis(donor styryl)BODIPY-fullerene systems populated BODIPY triplet excited states during the process of charge recombination. PMID:27333163

  19. Roughening Conjugated Polymer Surface for Enhancing the Charge Collection Efficiency of Sequentially Deposited Polymer/Fullerene Photovoltaics

    Directory of Open Access Journals (Sweden)

    Yoonhee Jang

    2015-08-01

    Full Text Available A method that enables the formation of a rough nano-scale surface for conjugated polymers is developed through the utilization of a polymer chain ordering agent (OA. 1-Chloronaphthalene (1-CN is used as the OA for the poly(3-hexylthiophene-2,5-diyl (P3HT layer. The addition of 1-CN to the P3HT solution improves the chain ordering of the P3HT during the film formation process and increases the surface roughness of the P3HT film compared to the film prepared without 1-CN. The roughened surface of the P3HT film is utilized to construct a P3HT/fullerene bilayer organic photovoltaic (OPV by sequential solution deposition (SqSD without thermal annealing process. The power conversion efficiency (PCE of the SqSD-processed OPV utilizing roughened P3HT layer is 25% higher than that utilizing a plain P3HT layer. It is revealed that the roughened surface of the P3HT increases the heterojunction area at the P3HT/fullerene interface and this resulted in improved internal charge collection efficiency, as well as light absorption efficiency. This method proposes a novel way to improve the PCE of the SqSD-processed OPV, which can be applied for OPV utilizing low band gap polymers. In addition, this method allows for the reassessment of polymers, which have shown insufficient performance in the BSD process.

  20. The effect of phase morphology on the nature of long-lived charges in semiconductor polymer:fullerene systems

    KAUST Repository

    Dou, Fei

    2015-01-01

    In this work, we investigate the effect of phase morphology on the nature of charges in poly(2,5-bis(3-tetradecyl-thiophen-2-yl)thieno[3,2,-b]thiophene) (pBTTT-C16) and phenyl-C61-butyric acid methyl ester (PC61BM) blends over timescales greater than hundreds of microseconds by quasi-steady-state photoinduced absorption spectroscopy. Specifically, we compare an essentially fully intermixed, one-phase system based on a 1 : 1 (by weight) pBTTT-C16 : PC61BM blend, known to form a co-crystal structure, with a two-phase morphology composed of relatively material-pure domains of the neat polymer and neat fullerene. The co-crystal occurs at a composition of up to 50 wt% PC61BM, because pBTTT-C16 is capable of hosting fullerene derivatives such as PC61BM in the cavities between its side chains. In contrast, the predominantly two-phase system can be obtained by manipulating a 1 : 1 polymer : fullerene blend with the assistance of a fatty acid methyl ester (dodecanoic acid methyl ester, Me12) as additive, which hinders co-crystal formation. We find that triplet excitons and polarons are generated in both phase morphologies. However, polarons are generated in the predominantly two-phase system at higher photon energy than for the structure based on the co-crystal phase. By means of a quasi-steady-state solution of a mesoscopic rate model, we demonstrate that the steady-state polaron generation efficiency and recombination rates are higher in the finely intermixed, one-phase system compared to the predominantly phase-pure, two-phase morphology. We suggest that the polarons generated in highly intermixed structures, such as the co-crystal investigated here, are localised polarons while those generated in the phase-separated polymer and fullerene systems are delocalised polarons. We expect this picture to apply generally to other organic-based heterojunctions of complex phase morphologies including donor:acceptor systems that form, for instance, molecularly mixed amorphous solid

  1. Impacts of side chain and excess energy on the charge photogeneration dynamics of low-bandgap copolymer-fullerene blends.

    Science.gov (United States)

    Huo, Ming-Ming; Hu, Rong; Xing, Ya-Dong; Liu, Yu-Chen; Ai, Xi-Cheng; Zhang, Jian-Ping; Hou, Jian-Hui

    2014-02-28

    Primary charge photogeneration dynamics in neat and fullerene-blended films of a pair of alternating benzo[1,2-b:4,5-b(')]dithiophene (BDT) and thieno[3,4-b]thiophene (TT) copolymers are comparatively studied by using near-infrared, time-resolved absorption (TA) spectroscopy under low excitation photon fluence. PBDTTT-E and PBDTTT-C, differed merely in the respective TT-substituents of ester (-E) and carbonyl (-C), show distinctly different charge photogeneration dynamics. The pair of neat PBDTTT films show exciton lifetimes of ∼0.1 ns and fluorescence quantum yields below 0.2%, as well as prominent excess-energy enhanced exciton dissociation. In addition, PBDTTT-C gives rise to >50% higher P(•+) yield than PBDTTT-E does irrespective to the excitation photon energy. Both PBDTTT-E:PC61BM and PBDTTT-C:PC61BM blends show subpicosecond exciton lifetimes and nearly unitary fluorescence quenching efficiency and, with respect to the former blend, the latter one shows substantially higher branching ratio of charge separated (CS) state over interfacial charge transfer (ICT) state, and hence more efficient exciton-to-CS conversion. For PBDTTT-C:PC61BM, the ultrafast charge dynamics clearly show the processes of ICT-CS interconversion and P(•+) migration, which are possibly influenced by the ICT excess energy. However, such processes are relatively indistinctive in the case of PBDTTT-E:PC61BM. The results strongly prove the importance of ICT dissociation in yielding free charges, and are discussed in terms of the film morphology and the precursory solution-phase macromolecular conformation. PMID:24588194

  2. Quadrimolecular recombination kinetics of photogenerated charge carriers in the composites of regioregular polythiophene derivatives and soluble fullerene

    Science.gov (United States)

    Tanaka, Hisaaki; Yokoi, Yuki; Hasegawa, Naoki; Kuroda, Shin-ichi; Iijima, Takayuki; Sato, Takao; Yamamoto, Takakazu

    2010-04-01

    Light-induced electron spin resonance (LESR) measurements have been performed on the composites of regioregular polythiophene derivatives and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) in order to study the recombination kinetics of photogenerated charge carriers. We adopt two regioregular polymers with different side chains; head-to-tail poly(3-hexylthiophene) (RR-P3HT) and head-to-head poly(3-dodecynylthiophene-2,5-diyl) [HH-P3(C≡CDec)Th]. In both systems, two LESR signals due to positive polarons on the polymer (g ˜2.002) and fullerene radical anions (g ˜2.000) have been observed. Quadrimolecular recombination (QR) kinetics, previously reported for RR-P3HT/C60 composites, where two positive polarons and two radical anions recombine simultaneously, has been confirmed in both systems by the observation of Iex0.25 dependence of the LESR intensity on the excitation light intensity (Iex) and the decay curve of the LESR intensity. This process implies the formation of doubly-charged states such as bipolarons or polaron pairs on the polymer to attract two radical anions. Temperature dependence of the QR rate constant, γ, in both systems has exhibited a crossover of the transport mechanism from low temperature tunneling to high temperature hopping process, as in the case of RR-P3HT/C60 composites. In the RR-P3HT/PCBM composites, γ has exhibited marked dependencies on the PCBM concentration or annealing, which may be related to the change of the crystallinity of the phase-separated polymer and fullerene domains as well as their interface structures, affecting the carrier mobilities or the trap states at the interface. Associated change of the molecular orientation of RR-P3HT crystalline domains with the lamellar structure has been further confirmed from the anisotropic LESR signals of the cast films on the substrates, exhibiting a qualitative agreement with the reported x-ray or optical analyses. In the HH-P3(C≡CDec)Th/PCBM composite, γ has been smaller

  3. Highly-Efficient Charge Separation and Polaron Delocalization in Polymer-Fullerene Bulk-Heterojunctions: A Comparative Multi-Frequency EPR & DFT Study

    Science.gov (United States)

    Niklas, Jens; Mardis, Kristy L.; Banks, Brian P.; Grooms, Gregory M.; Sperlich, Andreas; Dyakonov, Vladimir; Beaupré, Serge; Leclerc, Mario; Xu, Tao; Yu, Luping; Poluektov, Oleg G.

    2016-01-01

    The ongoing depletion of fossil fuels has led to an intensive search for additional renewable energy sources. Solar-based technologies could provide sufficient energy to satisfy the global economic demands in the near future. Photovoltaic (PV) cells are the most promising man-made devices for direct solar energy utilization. Understanding the charge separation and charge transport in PV materials at a molecular level is crucial for improving the efficiency of the solar cells. Here, we use light-induced EPR spectroscopy combined with DFT calculations to study the electronic structure of charge separated states in blends of polymers (P3HT, PCDTBT, and PTB7) and fullerene derivatives (C60-PCBM and C70-PCBM). Solar cells made with the same composites as active layers show power conversion efficiencies of 3.3% (P3HT), 6.1% (PCDTBT), and 7.3% (PTB7), respectively. Under illumination of these composites, two paramagnetic species are formed due to photo-induced electron transfer between the conjugated polymer and the fullerene. They are the positive, P+, and negative, P-, polarons on the polymer backbone and fullerene cage, respectively, and correspond to radical cations and radical anions. Using the high spectral resolution of high-frequency EPR (130 GHz), the EPR spectra of these species were resolved and principal components of the g-tensors were assigned. Light-induced pulsed ENDOR spectroscopy allowed the determination of 1H hyperfine coupling constants of photogenerated positive and negative polarons. The experimental results obtained for the different polymer-fullerene composites have been compared with DFT calculations, revealing that in all three systems the positive polaron is distributed over distances of 40 - 60 Å on the polymer chain. This corresponds to about 15 thiophene units for P3HT, approximately three units PCDTBT, and about three to four units for PTB7. No spin density delocalization between neighboring fullerene molecules was detected by EPR. Strong

  4. Highly-efficient charge separation and polaron delocalization in polymer-fullerene bulk-heterojunctions: a comparative multi-frequency EPR and DFT study.

    Science.gov (United States)

    Niklas, Jens; Mardis, Kristy L; Banks, Brian P; Grooms, Gregory M; Sperlich, Andreas; Dyakonov, Vladimir; Beaupré, Serge; Leclerc, Mario; Xu, Tao; Yu, Luping; Poluektov, Oleg G

    2013-06-28

    The ongoing depletion of fossil fuels has led to an intensive search for additional renewable energy sources. Solar-based technologies could provide sufficient energy to satisfy the global economic demands in the near future. Photovoltaic (PV) cells are the most promising man-made devices for direct solar energy utilization. Understanding the charge separation and charge transport in PV materials at a molecular level is crucial for improving the efficiency of the solar cells. Here, we use light-induced EPR spectroscopy combined with DFT calculations to study the electronic structure of charge separated states in blends of polymers (P3HT, PCDTBT, and PTB7) and fullerene derivatives (C60-PCBM and C70-PCBM). Solar cells made with the same composites as active layers show power conversion efficiencies of 3.3% (P3HT), 6.1% (PCDTBT), and 7.3% (PTB7), respectively. Upon illumination of these composites, two paramagnetic species are formed due to photo-induced electron transfer between the conjugated polymer and the fullerene. They are the positive, P(+), and negative, P(-), polarons on the polymer backbone and fullerene cage, respectively, and correspond to radical cations and radical anions. Using the high spectral resolution of high-frequency EPR (130 GHz), the EPR spectra of these species were resolved and principal components of the g-tensors were assigned. Light-induced pulsed ENDOR spectroscopy allowed the determination of (1)H hyperfine coupling constants of photogenerated positive and negative polarons. The experimental results obtained for the different polymer-fullerene composites have been compared with DFT calculations, revealing that in all three systems the positive polaron is distributed over distances of 40-60 Å on the polymer chain. This corresponds to about 15 thiophene units for P3HT, approximately three units for PCDTBT, and about three to four units for PTB7. No spin density delocalization between neighboring fullerene molecules was detected by EPR

  5. A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells

    KAUST Repository

    Yi, Yuanping

    2011-01-01

    The exciton-dissociation and charge-recombination processes in donor-acceptor complexes found in α-sexithienyl/C60 and α-sexithienyl/perylenetetracarboxydiimide (PDI) solar cells are investigated by means of quantum-chemical methods. The electronic couplings and exciton-dissociation and charge-recombination rates have been evaluated for various configurations of the complexes. The results suggest that the decay of the lowest charge-transfer state to the ground state in the PDI-based devices: (i) is faster than that in the fullerene-based devices and (ii) in most cases, can compete with the dissociation of the charge-transfer state into mobile charge carriers. This faster charge-recombination process is consistent with the lower performance observed experimentally for the devices using PDI derivatives as the acceptor. © 2011 The Royal Society of Chemistry.

  6. Photogeneration and recombination of charge carrier pairs and free charge carriers in polymer/fullerene bulk heterojunction films

    Energy Technology Data Exchange (ETDEWEB)

    Sliauzys, Gytis; Gulbinas, Vidmantas [Center for Physical Sciences and Technology, Savanoriu av. 231, 02300 Vilnius (Lithuania); Arlauskas, Kestutis [Department of Solid State Electronics, Vilnius University, Sauletekio al. 9, Build. 3, 10222 Vilnius (Lithuania)

    2012-07-15

    Photo-generation and recombination of free charge carriers in poly-3 (hexylthiophene) (P3HT) and [6,6]-phenyl C61 butyric acid methyl ester (PCBM) blend films has been studied at different PCBM concentrations by means of fluorescence spectroscopy and transient photocurrent methods. We show that more than 80% of excitons form charge transfer (CT) states at PCBM concentrations above 4%. Efficiency of the CT state dissociation into free charge carries strongly depends on the PCBM concentration; the dissociation efficiency increases more than 30 times when PCBM concentration increases from 1 to 32%. We attribute the strong concentration dependence to formation of PCBM clusters facilitating electron migration and/or delocalization. Reduced charge carrier recombination coefficient has also been observed at high PCBM concentrations. We suggest that this may be partly caused by the reduced stability of reformed Coulombicaly bound charge pairs. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Experimental evidence for the influence of charge on the adsorption capacity of carbon dioxide on charged fullerenes

    CERN Document Server

    Ralser, Stefan; Probst, Michael; Postler, Johannes; Renzler, Michael; Bohme, Diethard K; Scheier, Paul

    2016-01-01

    We show, with both experiment and theory, that adsorption of $CO_2$ is sensitive to charge on a capturing model carbonaceous surface. In the experiment we dope superfluid helium droplets with $C_{60}$ and $CO_2$ and expose them to ionising free electrons. Both positively and negatively charged $C_{60}(CO_2)_n^{+/-}$ cluster ion distributions are observed with a high-resolution mass spectrometer and these show remarkable and reproducible anomalies in intensities that are strongly dependent on the charge. The highest adsorption capacity is seen with $C_{60}^+$. Complementary density functional theory calculations and molecular dynamics simulations provided insight into the nature of the interaction of charged $C_{60}$ with $CO_2$ as well as trends in the packing of $C_{60}^+$ and $C_{60}^-$. The quadrupole moment of $CO_2$ itself was seen to be decisive in determining the charge dependence of the observed adsorption features. Our findings are expected to apply to adsorption of $CO_2$ by charged surfaces in gene...

  8. Extraction of photo-generated charge carriers from polymer-fullerene bulk heterojunction solar cells

    NARCIS (Netherlands)

    Koster, LJA; Mihailetchi, VD; Blom, PWM; Heremans, PL; Muccini, M; Hofstraat, H

    2004-01-01

    Two models describing charge extraction from insulators have been used to interpret the experimental photocurrent data of 20:80 wt% blends of poly(2-methoxy-5-(3',7'-dimethyloctyloxy)-p-phenylene vinylene) (MDMO-PPV) and [6,6]phenyl C-61,-butyric acid methyl ester (PCBM) bulk heterojunction solar ce

  9. The role of spin exchange in charge transfer in low-bandgap polymer: Fullerene bulk heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Krinichnyi, V. I., E-mail: kivirus@gmail.com; Yudanova, E. I.; Denisov, N. N. [Kinetics and Catalysis, Institute of Problems of Chemical Physics, Chernogolovka 142432 (Russian Federation)

    2014-07-28

    Formation, relaxation and dynamics of polarons and methanofullerene anion radicals photoinitiated in poly[N-9″-hepta-decanyl-2,7-carbazole-alt-5,5-(4′,7′-di-2-thienyl-2′,1′, 3′-benzothiadiazole)]:-[6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCDTBT:PC{sub 61}BM) bulk heterojunctions were studied mainly by light-induced EPR (LEPR) spectroscopy in wide photon energy and temperature ranges. Some polarons are pinned by spin traps whose number and depth are governed by the composite morphology and photon energy. The proximity of the photon energy and the polymer bandgap reduces the number of such traps, inhibits recombination of mobile charge carriers, and facilitates their mobility in polymer network. Spin relaxation and charge carrier dynamics were studied by the steady-state saturation method at wide range of temperature and photon energy. These processes were shown to be governed by spin exchange as well as by the photon energy. Charge transfer in the composite is governed by the polaron scattering on the lattice phonons of crystalline domains embedded into amorphous polymer matrix and its activation hopping between polymer layers. The energy barrier required for polaron interchain hopping exceeds that of its intrachain diffusion. Anisotropy of polaron dynamics in the PCDTBT:PC61BM composite is less than that of poly(3-alkylthiophenes)-based systems that evidences for better ordering of the former. Lorentzian shape of LEPR lines of both charge carriers, lower concentration of spin traps as well as behaviours of the main magnetic resonance parameters were explained by layer ordered morphology of polymer matrix.

  10. Electrical and optical properties of monomeric and polymerized fullerenes. Review

    CERN Document Server

    Makarova, T L

    2001-01-01

    Paper presents the survey of properties of monomeric and polymerized fullerenes as materials with semiconducting zone structures. Electronic structure of fullerenes is studied in detail. One analyzes the absorption spectra of fullerenes. Paper contains data on the transport parameters of fullerenes and discusses, as well, models of conductivity in these materials. Peculiar attention is given to the processes occurring in fullerenes under polymerization through photoexcitation, charge transfer and pressure

  11. Fullerenes formation in flames

    Science.gov (United States)

    Howard, Jack B.

    1993-01-01

    Fullerenes are composed of carbon atoms arranged in approximately spherical or ellipsoidal cages resembling the geodesic domes designed by Buckminster Fuller, after whom the molecules were named. The approximately spherical fullerene, which resembles a soccer ball and contains sixty atoms (C60), is called buckminsterfullerene. The fullerene containing seventy carbon atoms (C70) is approximately ellipsoidal, similar to a rugby ball. Fullerenes were first detected in 1985, in carbon vapor produced by laser evaporation of graphite. The closed shell structure, which has no edge atoms vulnerable to reaction, was proposed to explain the observed high stability of certain carbon clusters relative to that of others at high temperatures and in the presence of an oxidizing gas.

  12. Charge carrier behavior in UV irradiated fullerene nano whiskers based on studies of electrical conduction and ESR

    Science.gov (United States)

    Doi, Tatsuya; Koyama, Kyouhei; Bird, Jonathan P.; Aoki, Nobuyuki; Ochiai, Yuichi

    2011-12-01

    The UV light irradiation to C60 fullerene induces [2+2] cyclo-additional reaction, and creates inter-molecule bonds between C60 molecules. That reaction makes fullerene polymer from molecules. A fine crystalline wire structure consisting of C60 molecules is called a fullerene nano whisker (FNW), and also is used to fabricate n-type field effect transistors (FET) as the channel. The UV irradiation to the FNW-FET for polymerization must achieve the FET operation in ambient atmosphere. Here, a drastic changing of FET parameters has been observed. In the ESR measurement in ambient atmosphere, we have studied on temperature dependence of peak-to-peak width (ΔHPP) and ESR magnetic susceptibility ratio. The comparison, the temperature dependence of pristine FNW and UV irradiated FNW, clearly indicates that there exists a clearer difference in electronic state between pristine FNW and UV polymerized FNW.

  13. Direct and charge transfer state mediated photogeneration in polymer-fullerene bulk heterojunction solar cells

    Science.gov (United States)

    Mingebach, M.; Walter, S.; Dyakonov, V.; Deibel, C.

    2012-05-01

    We investigated photogeneration yield and recombination dynamics in blends of poly(3-hexyl thiophene) (P3HT) and poly[2-methoxy-5 -(3',7'-dimethyloctyloxy)-1,4-phenylenevinylene] (MDMO-PPV) with [6,6]-phenyl-C61butyric acid methyl ester (PC61BM) by means of temperature dependent time delayed collection field measurements. In MDMO-PPV:PC61BM, we find a strongly field dependent polaron pair dissociation which can be attributed to geminate recombination in the device. Our findings are in good agreement with field dependent photoluminescence measurements published before, supporting a scenario of polaron pair dissociation via an intermediate charge transfer state. In contrast, polaron pair dissociation in P3HT:PC61BM shows only a very weak field dependence, indicating an almost field independent polaron pair dissociation or a direct photogeneration. Furthermore, we found Langevin recombination for MDMO-PPV:PC61BM and strongly reduced Langevin recombination for P3HT:PC61BM.

  14. Cobalt/fullerene spinterfaces

    NARCIS (Netherlands)

    Wang, Kai

    2015-01-01

    Spintronics is a multidisciplinary research field and it explores phenomena that interlink the spin and charge degrees of freedom. The thesis focuses on spin-polarized electronic transports in cobalt (Co) and fullerene (C60) based vertical spintronic devices. It starts with a review about spin-trans

  15. Light-induced electron paramagnetic resonance evidence of charge transfer in electrospun fibers containing conjugated polymer/fullerene and conjugated polymer/fullerene/carbon nanotube blends

    Energy Technology Data Exchange (ETDEWEB)

    Shames, Alexander I. [Department of Physics, Ben-Gurion University of the Negev, Beersheba 84105 (Israel); Bounioux, Celine [Department of Solar Energy and Environmental Physics, Jacob Blaustein Institutes for Desert Research, Ben-Gurion University of the Negev, Sede Boker Campus 84990 (Israel); Katz, Eugene A. [Department of Solar Energy and Environmental Physics, Jacob Blaustein Institutes for Desert Research, Ben-Gurion University of the Negev, Sede Boker Campus 84990 (Israel); Ilze Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Yerushalmi-Rozen, Rachel [Ilze Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Department of Chemical Engineering, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Zussman, Eyal [Department of Mechanical Engineering, Technion, Haifa 32000 (Israel)

    2012-03-12

    Electrospun sub-micron fibers containing conjugated polymer (poly(3-hexylthiophene), P3HT) with a fullerene derivative, phenyl-C61-butyric acid methylester (PCBM) or a mixture of PCBM and single-walled carbon nanotubes (SWCNTs) were studied by light-induced electron paramagnetic resonance spectroscopy. The results provide experimental evidence of electron transfer between PCBM and P3HT components in both fiber systems and suggest that the presence of a dispersing block-copolymer, which acts via physical adsorption onto the PCBM and SWCNT moieties, does not prevent electron transfer at the P3HT-PCBM interface. These findings suggest a research perspective towards utilization of fibers of functional nanocomposites in fiber-based organic optoelectronic and photovoltaic devices. The latter can be developed in the textile-type large area photovoltaics or individual fiber-based solar cells that will broaden energy applications from macro-power tools to micro-nanoscale power conversion devices and smart textiles.

  16. Light-induced electron paramagnetic resonance evidence of charge transfer in electrospun fibers containing conjugated polymer/fullerene and conjugated polymer/fullerene/carbon nanotube blends

    International Nuclear Information System (INIS)

    Electrospun sub-micron fibers containing conjugated polymer (poly(3-hexylthiophene), P3HT) with a fullerene derivative, phenyl-C61-butyric acid methylester (PCBM) or a mixture of PCBM and single-walled carbon nanotubes (SWCNTs) were studied by light-induced electron paramagnetic resonance spectroscopy. The results provide experimental evidence of electron transfer between PCBM and P3HT components in both fiber systems and suggest that the presence of a dispersing block-copolymer, which acts via physical adsorption onto the PCBM and SWCNT moieties, does not prevent electron transfer at the P3HT-PCBM interface. These findings suggest a research perspective towards utilization of fibers of functional nanocomposites in fiber-based organic optoelectronic and photovoltaic devices. The latter can be developed in the textile-type large area photovoltaics or individual fiber-based solar cells that will broaden energy applications from macro-power tools to micro-nanoscale power conversion devices and smart textiles.

  17. Light-induced electron paramagnetic resonance evidence of charge transfer in electrospun fibers containing conjugated polymer/fullerene and conjugated polymer/fullerene/carbon nanotube blends

    Science.gov (United States)

    Shames, Alexander I.; Bounioux, Céline; Katz, Eugene A.; Yerushalmi-Rozen, Rachel; Zussman, Eyal

    2012-03-01

    Electrospun sub-micron fibers containing conjugated polymer (poly(3-hexylthiophene), P3HT) with a fullerene derivative, phenyl-C61-butyric acid methylester (PCBM) or a mixture of PCBM and single-walled carbon nanotubes (SWCNTs) were studied by light-induced electron paramagnetic resonance spectroscopy. The results provide experimental evidence of electron transfer between PCBM and P3HT components in both fiber systems and suggest that the presence of a dispersing block-copolymer, which acts via physical adsorption onto the PCBM and SWCNT moieties, does not prevent electron transfer at the P3HT-PCBM interface. These findings suggest a research perspective towards utilization of fibers of functional nanocomposites in fiber-based organic optoelectronic and photovoltaic devices. The latter can be developed in the textile-type large area photovoltaics or individual fiber-based solar cells that will broaden energy applications from macro-power tools to micro-nanoscale power conversion devices and smart textiles.

  18. Program Fullerene

    DEFF Research Database (Denmark)

    Wirz, Lukas; Peter, Schwerdtfeger,; Avery, James Emil

    2013-01-01

    Fullerene (Version 4.4), is a general purpose open-source program that can generate any fullerene isomer, perform topological and graph theoretical analysis, as well as calculate a number of physical and chemical properties. The program creates symmetric planar drawings of the fullerene graph, an......-Fowler, and Brinkmann-Fowler vertex insertions. The program is written in standard Fortran and C++, and can easily be installed on a Linux or UNIX environment....

  19. Characterizing the Polymer:Fullerene Intermolecular Interactions

    KAUST Repository

    Sweetnam, Sean

    2016-02-02

    Polymer:fullerene solar cells depend heavily on the electronic coupling of the polymer and fullerene molecular species from which they are composed. The intermolecular interaction between the polymer and fullerene tends to be strong in efficient photovoltaic systems, as evidenced by efficient charge transfer processes and by large changes in the energetics of the polymer and fullerene when they are molecularly mixed. Despite the clear presence of these strong intermolecular interactions between the polymer and fullerene, there is not a consensus on the nature of these interactions. In this work, we use a combination of Raman spectroscopy, charge transfer state absorption, and density functional theory calculations to show that the intermolecular interactions do not appear to be caused by ground state charge transfer between the polymer and fullerene. We conclude that these intermolecular interactions are primarily van der Waals in nature. © 2016 American Chemical Society.

  20. Modulating the generation of long-lived charge separated states exclusively from the triplet excited states in palladium porphyrin-fullerene conjugates

    Science.gov (United States)

    O. Obondi, Christopher; Lim, Gary N.; Churchill, Brittani; Poddutoori, Prashanth K.; van der Est, Art; D'Souza, Francis

    2016-04-01

    This study demonstrates molecular engineering of a series of donor-acceptor systems to allow control of the lifetime and initial spin multiplicity of the charge-separated state. By tuning the rate of intersystem crossing (ISC) and the donor-acceptor distance, electron transfer can be made to occur exclusively from the triplet excited state of the electron donor resulting in long-lived charge separation. To achieve this, three new palladium porphyrin-fullerene donor-acceptor systems were synthesized. The heavy Pd atom enhances the rate of ISC in the porphyrin and the rates of electron and energy transfer are modulated by varying the redox potential of the porphyrin and the porphyrin-fullerene distance. In the case of the meso-tris(tolyl)porphyrinato palladium(ii)-fulleropyrrolidine, the donor-acceptor distance is relatively long (13.1 Å) and the driving force for electron transfer is low. As a result, excitation of the porphyrin leads to rapid ISC followed by triplet-triplet energy transfer to fullerene. When the fullerene is bound directly to the porphyrin shortening the donor-acceptor distance to 2.6 Å electron transfer from the singlet excited palladium porphyrin leading to the generation of a short-lived charge separated state is the main process. Finally, when the palladium porphyrin is substituted with three electron rich triphenylamine entities, the lower oxidation potential of the porphyrin and appropriate donor-acceptor distance (~13 Å), lead to electron transfer exclusively from the triplet excited state of palladium porphyrin with high quantum yield. The results show that when electron transfer occurs from the triplet state, its increased lifetime allows the distance between the donor and acceptor to be increased which results in a longer lifetime for the charge separated state.This study demonstrates molecular engineering of a series of donor-acceptor systems to allow control of the lifetime and initial spin multiplicity of the charge-separated state

  1. Compositional and electric field dependence of the dissociation of charge transfer excitons in alternating polyfluorene copolymer/fullerene blends

    NARCIS (Netherlands)

    Veldman, D.; Ipek, Ö.; Meskers, S.C.J.; Sweelssen, J.; Koetse, M.M.; Veenstra, S.C.; Kroon, J.M.; Bavel, S.S. van; Loos, J.; Janssen, R.A.J.

    2008-01-01

    The electro-optical properties of thin films of electron donor-acceptor blends of a fluorene copolymer (PF10TBT) and a fullerene derivative (PCBM) were studied. Transmission electron microscopy shows that in these films nanocrystalline PCBM clusters are formed at high PCBM content. For all concentra

  2. POLARON DYNAMICS. Long-lived photoinduced polaron formation in conjugated polyelectrolyte-fullerene assemblies.

    Science.gov (United States)

    Huber, Rachel C; Ferreira, Amy S; Thompson, Robert; Kilbride, Daniel; Knutson, Nicholas S; Devi, Lekshmi Sudha; Toso, Daniel B; Challa, J Reddy; Zhou, Z Hong; Rubin, Yves; Schwartz, Benjamin J; Tolbert, Sarah H

    2015-06-19

    The efficiency of biological photosynthesis results from the exquisite organization of photoactive elements that promote rapid movement of charge carriers out of a critical recombination range. If synthetic organic photovoltaic materials could mimic this assembly, charge separation and collection could be markedly enhanced. We show that micelle-forming cationic semiconducting polymers can coassemble in water with cationic fullerene derivatives to create photoinduced electron-transfer cascades that lead to exceptionally long-lived polarons. The stability of the polarons depends on the organization of the polymer-fullerene assembly. Properly designed assemblies can produce separated polaronic charges that are stable for days or weeks in aqueous solution.

  3. Multiple charge states of titanium ions in laser produced plasma

    International Nuclear Information System (INIS)

    An intense laser radiation (1012 to 1014 W/cm-2) focused on the solid target creates a hot (≥ 1 KeV) and dense plasma having high ionization state. The multiple charged ions with high current densities produced during laser matter interaction have potential application in accelerators as an ion source. This paper presents generation and detection of highly stripped titanium ions (Ti) in laser produced plasma. An Nd:glass laser (KAMETRON) delivering 50 J energy (λ = 0.53 μm) in 2.5 ns was focused onto a titanium target to produce plasma. This plasma was allowed to drift across a space ∼ 3m through a diagnostic hole in the focusing mirror before ions are finally detected with the help of electrostatic ion analyzer. Maximum current density was detected for the charge states of +16 and +17 of Ti ions for laser intensity of ∼ 1014 W/cm-2. (author)

  4. Fullerenic structures and such structures tethered to carbon materials

    Science.gov (United States)

    Goel, Anish; Howard, Jack B.; Vander Sande, John B.

    2012-10-09

    The fullerenic structures include fullerenes having molecular weights less than that of C.sub.60 with the exception of C.sub.36 and fullerenes having molecular weights greater than C.sub.60. Examples include fullerenes C.sub.50, C.sub.58, C.sub.130, and C.sub.176. Fullerenic structure chemically bonded to a carbon surface is also disclosed along with a method for tethering fullerenes to a carbon material. The method includes adding functionalized fullerene to a liquid suspension containing carbon material, drying the suspension to produce a powder, and heat treating the powder.

  5. Jahn-Teller effects and surface interactions in multiply-charged fullerene anions and the effect on scanning tunneling microscopy images

    Science.gov (United States)

    Dunn, Janette L.; Alqannas, Haifa S.; Lakin, Andrew J.

    2015-10-01

    We investigate the combined effects of Jahn-Teller (JT) coupling and interactions with a surface substrate on fullerene anions C602- to C604-. JT coupling alone causes the C60 ions to instantaneously distort from the icosahedral symmetry of the neutral molecule to a lower symmetry, with the molecule moving dynamically between a set of equivalent distortions. When adsorbed on a surface, the number of equivalent minimum-energy distortions is reduced. The implications of this on observed scanning tunneling microscopy (STM) images will be discussed, and comparisons made with existing experimental data. We show that a consistent interpretation of the images from all of the charge states of C60 can only be obtained using a JT model in which the symmetry is further reduced by surface interactions. The comparison with experimental data also allows us to determine relationships between the quadratic Jahn-Teller coupling and surface interaction parameters.

  6. Negatively charged nanoparticles produced by splashing of water

    Science.gov (United States)

    Tammet, H.; Hõrrak, U.; Kulmala, M.

    2009-01-01

    The production of splashing-generated balloelectric intermediate ions was studied by means of mobility spectrometry in the atmosphere during the rain and in a laboratory experiment simulating the heavy rain. The partial neutralization of intermediate ions with cluster ions generated by beta rays suppressed the space charge of intermediate ions but preserved the shape of the mobility distribution. The balloelectric ions produced from the waterworks water of high TDS (Total Dissolved Solids) had about the same mobilities as the ions produced from the rainwater of low TDS. This suggests that the balloelectric ions can be considered as singly charged water nanoparticles. By different measurements, the diameter mode of these particles was 2.2-2.7 nm, which is close to the diameter of 2.5 nm of the Chaplin's 280-molecule magic icosahedron superclusters. The measurements can be explained by a hypothesis that the pressure of saturated vapor over the nanoparticle surface is suppressed by a number of magnitudes due to the internal structure of the particles near the size of 2.5 nm. The records of the concentration bursts of balloelectric ions in the atmosphere are formally similar to the records of the nucleation bursts but they cannot be qualified as nucleation bursts because the particles are not growing but shrinking.

  7. Negatively charged nanoparticles produced by splashing of water

    Directory of Open Access Journals (Sweden)

    H. Tammet

    2008-09-01

    Full Text Available The production of splashing-generated balloelectric intermediate ions was studied by means of mobility spectrometry in the atmosphere during the rain and in a laboratory experiment simulating the heavy rain. The partial neutralization of intermediate ions with cluster ions generated by beta rays suppressed the space charge of intermediate ions but preserved the shape of the mobility distribution. The balloelectric ions produced from the waterworks water of high TDS (Total Dissolved Solids had about the same mobilities as the ions produced from the rainwater of low TDS. This suggests that the balloelectric ions can be considered as singly charged water nanodroplets. By different measurements, the diameter mode of these droplets was 2.2–2.7 nm, which is close to the diameter of 2.5 nm of the Chaplin's 280-molecule magic icosahedron superclusters. The measurements can be explained by a hypothesis that the pressure of saturated vapor over the nanodroplet surface is suppressed by a number of magnitudes due to the internal structure of the droplets near the size of 2.5 nm. The records of the concentration bursts of balloelectric ions in the atmosphere are formally similar to the records of the nucleation bursts but they cannot be qualified as nucleation bursts because the particles are not growing but shrinking.

  8. Negatively charged nanoparticles produced by splashing of water

    Directory of Open Access Journals (Sweden)

    H. Tammet

    2009-01-01

    Full Text Available The production of splashing-generated balloelectric intermediate ions was studied by means of mobility spectrometry in the atmosphere during the rain and in a laboratory experiment simulating the heavy rain. The partial neutralization of intermediate ions with cluster ions generated by beta rays suppressed the space charge of intermediate ions but preserved the shape of the mobility distribution. The balloelectric ions produced from the waterworks water of high TDS (Total Dissolved Solids had about the same mobilities as the ions produced from the rainwater of low TDS. This suggests that the balloelectric ions can be considered as singly charged water nanoparticles. By different measurements, the diameter mode of these particles was 2.2–2.7 nm, which is close to the diameter of 2.5 nm of the Chaplin's 280-molecule magic icosahedron superclusters. The measurements can be explained by a hypothesis that the pressure of saturated vapor over the nanoparticle surface is suppressed by a number of magnitudes due to the internal structure of the particles near the size of 2.5 nm. The records of the concentration bursts of balloelectric ions in the atmosphere are formally similar to the records of the nucleation bursts but they cannot be qualified as nucleation bursts because the particles are not growing but shrinking.

  9. Herstellung und Charakterizierung endohedraler Li-Fullerene

    OpenAIRE

    Krawez, Nela

    2010-01-01

    Endohedral Alkali-Fullerenes are produced by exposing fullerene monolayers which were formed by vapour deposition to a low energy ion beam during the deposition process. This method, compared to laser vaporisation or the arc discharge, has the advantage of limiting the products to very few endohedral species which are determined by the deposited fullerenes and the ions used for bombardment. The films produced by this method were characterised by optical sp...

  10. Study of the contact charge transfer behavior between cryptophanes (A and E) and fullerene by absorption, fluorescence and {sup 1}H NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Caihong; Shen Weili; Fan Ruying; Zhang Guomei; Shangguan Lingzhi; Chao Jianbin; Shuang Shaomin [Research Center of Environmental Science and Engineering, School of Chemistry and Chemical Engineering, Shanxi University, Taiyuan 030006 (China); Dong Chuan, E-mail: dc@sxu.edu.cn [Research Center of Environmental Science and Engineering, School of Chemistry and Chemical Engineering, Shanxi University, Taiyuan 030006 (China); Choi, Martin M.F., E-mail: mfchoi@hkbu.edu.hk [Department of Chemistry, Hong Kong Baptist University, Kowloon Tong (Hong Kong)

    2009-09-14

    A group of novel cage-like compounds cryptophanes A and E were synthesized from vanillin by a three-step method. The intermolecular interaction between cryptophanes (A and E) and fullerene (C{sub 60}) was investigated in detail by absorption, fluorescence and {sup 1}H NMR spectroscopy. The absorption of C{sub 60} at 410-650 nm decreased in the presence of cryptophanes A or E. The decrease in absorption intensity was proportional to the concentration of cryptophanes A or E. On the other hand, the fluorescence intensity of cryptophanes A or E decreased and the emission maxima were blue-shifted with the increase in C{sub 60} concentration. These results suggest that contact charge transfer (CCT) complexes can be formed from C{sub 60} with cryptophanes A or E. In addition, the electrochemical behavior of cryptophanes (A and E) and C{sub 60} was studied by cyclic voltammetry. The redox currents of cryptophanes (A and E) decreased and the peak potentials were shifted on addition of C{sub 60}. The changes in the chemical shifts ({Delta}{delta}) of aromatic protons of cryptophanes (A and E) in their NMR spectra further support that CCT complexes were formed with cryptophanes as the electron donors and C{sub 60} as the electron acceptor.

  11. Interstellar Fullerene Compounds and Diffuse Interstellar Bands

    CERN Document Server

    Omont, Alain

    2015-01-01

    Recently, the presence of fullerenes in the interstellar medium (ISM) has been confirmed, especially with the first confirmed identification of two strong diffuse interstellar bands (DIBs) with C60+. This justifies reassesing the importance of interstellar fullerenes of various sizes with endohedral or exohedral inclusions and heterofullerenes (EEHFs). The phenomenology of fullerenes is complex. In addition to formation in shock shattering, fully dehydrogenated PAHs in diffuse interstellar (IS) clouds could perhaps efficiently transform into fullerenes including EEHFs. But it is extremely difficult to assess their expected abundance, composition and size distribution, except for C60+. As often suggested, EEHFs share many properties with C60, as regards stability, formation/destruction, chemical processes and many basic spectral features. We address the importance of various EEHFs as possible DIB carriers. Specifically, we discuss IS properties and the contributions of fullerenes of various sizes and charge su...

  12. Development of Advanced Alloys using Fullerenes

    Science.gov (United States)

    Sims, J.; Wasz, M.; O'Brien, J.; Callahan, D. L.; Barrera, E. V.

    1994-01-01

    Development of advanced alloys using fullerenes is currently underway to produce materials for use in the extravehicular mobility unit (EMU). These materials will be directed toward commercial usages as they are continually developed. Fullerenes (of which the most common is C(sub 60)) are lightweight, nanometer size, hollow molecules of carbon which can be dispersed in conventional alloy systems to enhance strength and reduce weight. In this research, fullerene interaction with aluminum is investigated and a fullerene-reinforced aluminum alloy is being developed for possible use on the EMU. The samples were manufactured using standard commercial approaches including powder metallurgy and casting. Alloys have been processed having 1.3, 4.0 and 8.0 volume fractions of fullerenes. It has been observed that fullerene dispersion is related to the processing approach and that they are stable for the processing conditions used in this research. Emphasis will be given to differential thermal analysis and wavelength dispersive analysis of the processed alloys. These two techniques are particularly useful in determining the condition of the fullerenes during and after processing. Some discussion will be given as to electrical properties of fullerene-reinforced materials. Although the aluminum and other advanced alloys with fullerenes are being developed for NASA and the EMU, the properties of these materials will be of interest for commercial applications where specific Dual-Use will be given.

  13. A New Mechanism of Higgs Bosons in Producing Charge Particles

    DEFF Research Database (Denmark)

    Javadi, Hossein; Forouzbakhsh, Farshid

    2006-01-01

    A new production method of elementary particles by Higgs Bosons will be shown. But before that the structure of photon will be considered deeply, while a new definition of Higgs Boson about color-charges and color-magnet will be given for the first time.......A new production method of elementary particles by Higgs Bosons will be shown. But before that the structure of photon will be considered deeply, while a new definition of Higgs Boson about color-charges and color-magnet will be given for the first time....

  14. Fullerene ion chemistry: a journey of discovery and achievement.

    Science.gov (United States)

    Böhme, Diethard K

    2016-09-13

    An account is provided of the extraordinary features of buckminster fullerene cations and their chemistry that we discovered in our Ion Chemistry Laboratory at York University (Canada) during a 'golden' period of research in the early 1990s, just after C60 powder became available. We identified new chemical ways of C60 ionization and tracked novel chemistry of C60 (n+) as a function of charge state (n=1-3) with some 50 different reagent molecules. We found that multiple charges enhance reaction rates and diversify reaction products and mechanisms. Strong electrostatic interactions with reagent molecules were seen to reduce barriers to carbon surface bonding and charge-separation reactions, while intramolecular Coulomb repulsion appeared to localize charge on the surface or the substituent and so influence higher order chemistry, including 'spindle', 'star', 'fuzzy ball', 'ball-and-chain' and dimer ion formation. We introduced the notion of 'apparent' gas-phase acidity with measurements of proton-transfer reactions of multiply charged fullerene cations. We also explored the attachment of atomic metal cations to C60 and their subsequent reactions. All these findings were applied to the possible chemistry of fullerene cations in the interstellar medium with a focus on multiply charged fullerene ion formation and the intervention of fullerene cations in fullerene derivatization and molecular synthesis, with a view to their possible future detection.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'. PMID:27501972

  15. A floating water bridge produces water with excess charge

    Science.gov (United States)

    Fuchs, Elmar C.; Sammer, Martina; Wexler, Adam D.; Kuntke, Philipp; Woisetschläger, Jakob

    2016-03-01

    Excess positive and negative Bjerrum-defect like charge (protonic and ‘aterprotonic’, from ancient Greek ἄ'τɛρ, ‘without’) in anolyte and catholyte of high voltage electrolysis of highly pure water was found during the so-called ‘floating water bridge’ experiment. The floating water bridge is a special case of an electrohydrodynamic liquid bridge and constitutes an intriguing phenomenon that occurs when a high potential difference (~kV cm-1) is applied between two beakers of water. To obtain such results impedance spectroscopy was used. This measurement technique allows the depiction and simulation of complex aqueous systems as simple electric circuits. In the present work we show that there is an additional small contribution from the difference in conductivity between anolyte and catholyte which cannot be measured with a conductivity meter, but is clearly visible in an impedance spectrum.

  16. Infrared spectroscopy of fullerene C60/anthracene adducts

    CERN Document Server

    Garcia-Hernandez, D A; Manchado, A

    2013-01-01

    Recent Spitzer Space Telescope observations of several astrophysical environments such as Planetary Nebulae, Reflection Nebulae, and R Coronae Borealis stars show the simultaneous presence of mid-infrared features attributed to neutral fullerene molecules (i.e., C60) and polycyclic aromatic hydrocarbons (PAHs). If C60 fullerenes and PAHs coexist in fullerene-rich space environments, then C60 may easily form adducts with a number of different PAH molecules; at least with catacondensed PAHs. Here we present the laboratory infrared spectra (~2-25 um) of C60 fullerene and anthracene Dies-Alder mono- and bis-adducts as produced by sonochemical synthesis. We find that C60/anthracene Diels-Alder adducts display spectral features strikingly similar to those from C60 (and C70) fullerenes and other unidentified infrared emission features. Thus, fullerene-adducts - if formed under astrophysical conditions and stable/abundant enough - may contribute to the infrared emission features observed in fullerene-containing circu...

  17. Fullerenes in an impact crater on the LDEF spacecraft

    Science.gov (United States)

    Radicati di Brozolo, F.; Bunch, T. E.; Fleming, R. H.; Macklin, J.

    1994-01-01

    The fullerenes C60 and C70 have been found to occur naturally on Earth and have also been invoked to explain features in the absorption spectra of interstellar clouds. But no definitive spectroscopic evidence exists for fullerenes in space and attempts to find fullerenes in carbonaceous chondrites have been unsuccessful. Here we report the observation of fullerenes associated with carbonaceous impact residue in a crater on the Long Duration Exposure Facility (LDEF) spacecraft. Laser ionization mass spectrometry and Raman spectroscopy indicate the presence of fullerenes in the crater and in adjacent ejecta. Man-made fullerenes survive experimental hypervelocity (approximately 6.1 km s-1) impacts into aluminium targets, suggesting that space fullerenes contained in a carbonaceous micrometeorite could have survived the LDEF impact at velocities towards the lower end of the natural particle encounter range (fullerenes were unlikely to have formed as instrumental artefacts, nor are they present as contaminants. Although we cannot specify the origin of the fullerenes with certainty, the most plausible source is the chondritic impactor. If, alternatively, the impact produced the fullerenes in situ on LDEF, then this suggests a viable mechanism for fullerene production in space.

  18. Measurement of Charged Pions from Neutrino-produced Nuclear Resonance

    Energy Technology Data Exchange (ETDEWEB)

    Simon, Clifford N. [Univ. of California, Irvine, CA (United States)

    2014-01-01

    A method for identifying stopped pions in a high-resolution scintillator bar detector is presented. I apply my technique to measure the axial mass MΔAfor production of the Δ(1232) resonance by neutrino, with the result MΔA = 1.16±0.20 GeV (68% CL) (limited by statistics). The result is produced from the measured spectrum of reconstructed momentum-transfer Q2. I proceed by varying the value of MΔA in a Rein-Sehgal-based Monte Carlo to produce the best agreement, using shape only (not normalization). The consistency of this result with recent reanalyses of previous bubble-chamber experiments is discussed.

  19. Memory operation mechanism of fullerene-containing polymer memory

    Energy Technology Data Exchange (ETDEWEB)

    Nakajima, Anri, E-mail: anakajima@hiroshima-u.ac.jp; Fujii, Daiki [Research Institute for Nanodevice and Bio Systems, Hiroshima University, 1-4-2 Kagamiyama, Higashihiroshima, Hiroshima 739-8527 (Japan)

    2015-03-09

    The memory operation mechanism in fullerene-containing nanocomposite gate insulators was investigated while varying the kind of fullerene in a polymer gate insulator. It was cleared what kind of traps and which positions in the nanocomposite the injected electrons or holes are stored in. The reason for the difference in the easiness of programming was clarified taking the role of the charging energy of an injected electron into account. The dependence of the carrier dynamics on the kind of fullerene molecule was investigated. A nonuniform distribution of injected carriers occurred after application of a large magnitude programming voltage due to the width distribution of the polystyrene barrier between adjacent fullerene molecules. Through the investigations, we demonstrated a nanocomposite gate with fullerene molecules having excellent retention characteristics and a programming capability. This will lead to the realization of practical organic memories with fullerene-containing polymer nanocomposites.

  20. Fullerene - Porphyrin constructs

    OpenAIRE

    Boyd, PDW; Reed, CA

    2005-01-01

    Porphyrins and fullerenes are spontaneously attracted to each other. This new supramolecular recognition element can be used to construct discrete host-guest complexes, as well as ordered arrays of interleaved porphyrins and fullerenes. The fullerene-porphyrin interaction underlies successful Chromatographic separations of fullerenes, and there are promising applications in the areas of porous framework solids and photovoltaic devices. © 2005 American Chemical Society.

  1. Conversion of fullerenes to diamond

    Science.gov (United States)

    Gruen, Dieter M.

    1993-01-01

    A method of forming synthetic diamond on a substrate is disclosed. The method involves providing a substrate surface covered with a fullerene or diamond coating, positioning a fullerene in an ionization source, creating a fullerene vapor, ionizing fullerene molecules, accelerating the fullerene ions to energies above 250 eV to form a fullerene ion beam, impinging the fullerene ion beam on the substrate surface and continuing these steps to obtain a diamond thickness on the substrate.

  2. Recursive generation of IPR fullerenes

    OpenAIRE

    Goedgebeur, Jan; McKay, Brendan D.

    2015-01-01

    We describe a new construction algorithm for the recursive generation of all non-isomorphic IPR fullerenes. Unlike previous algorithms, the new algorithm stays entirely within the class of IPR fullerenes, that is: every IPR fullerene is constructed by expanding a smaller IPR fullerene unless it belongs to limited class of irreducible IPR fullerenes that can easily be made separately. The class of irreducible IPR fullerenes consists of 36 fullerenes with up to 112 vertices and 4 infinite famil...

  3. Boron Fullerenes: A First-Principles Study

    Directory of Open Access Journals (Sweden)

    Gonzalez Szwacki Nevill

    2007-01-01

    Full Text Available AbstractA family of unusually stable boron cages was identified and examined using first-principles local-density functional method. The structure of the fullerenes is similar to that of the B12icosahedron and consists of six crossing double-rings. The energetically most stable fullerene is made up of 180 boron atoms. A connection between the fullerene family and its precursors, boron sheets, is made. We show that the most stable boron sheets are not necessarily precursors of very stable boron cages. Our finding is a step forward in the understanding of the structure of the recently produced boron nanotubes.

  4. Interstellar fullerene compounds and diffuse interstellar bands

    Science.gov (United States)

    Omont, Alain

    2016-05-01

    Recently, the presence of fullerenes in the interstellar medium (ISM) has been confirmed and new findings suggest that these fullerenes may possibly form from polycyclic aromatic hydrocarbons (PAHs) in the ISM. Moreover, the first confirmed identification of two strong diffuse interstellar bands (DIBs) with the fullerene, C60+, connects the long standing suggestion that various fullerenes could be DIB carriers. These new discoveries justify reassessing the overall importance of interstellar fullerene compounds, including fullerenes of various sizes with endohedral or exohedral inclusions and heterofullerenes (EEHFs). The phenomenology of fullerene compounds is complex. In addition to fullerene formation in grain shattering, fullerene formation from fully dehydrogenated PAHs in diffuse interstellar clouds could perhaps transform a significant percentage of the tail of low-mass PAH distribution into fullerenes including EEHFs. But many uncertain processes make it extremely difficult to assess their expected abundance, composition and size distribution, except for the substantial abundance measured for C60+. EEHFs share many properties with pure fullerenes, such as C60, as regards stability, formation/destruction and chemical processes, as well as many basic spectral features. Because DIBs are ubiquitous in all lines of sight in the ISM, we address several questions about the interstellar importance of various EEHFs, especially as possible carriers of diffuse interstellar bands. Specifically, we discuss basic interstellar properties and the likely contributions of fullerenes of various sizes and their charged counterparts such as C60+, and then in turn: 1) metallofullerenes; 2) heterofullerenes; 3) fulleranes; 4) fullerene-PAH compounds; 5) H2@C60. From this reassessment of the literature and from combining it with known DIB line identifications, we conclude that the general landscape of interstellar fullerene compounds is probably much richer than heretofore realized

  5. Forward charge distributions associated with hadronically produced J/psi particles

    International Nuclear Information System (INIS)

    We have measured the forward charge as a function of x/sub F/ of the psi for events produced by 225 Gev/c π-Be interactions. The forward charge is the average difference between the number of positive hadrons and negative hadrons produced in the forward hemisphere. The standard Drell-Yan model predicts that the forward charge should become less negative as the x/sub F/ of the J/psi increases. The measured forward charge becomes more negative as the x/sub F/ of the J/psi increases although it is consistent with being flat as a function of x/sub F/. Hence the data is not consistent with any Drell-Yan type model which assumes the forward charge is not strongly dependent on the hadronic energy left over after the J/psi is formed. 45 references

  6. Fullerenes in Allende Meteorite

    Science.gov (United States)

    Becker, L.; Bada, J. L.; Winans, R. E.; Bunch, T. E.

    1994-01-01

    The detection of fullerenes in deposits from meteor impacts has led to renewed interest in the possibility that fullerenes are present in meteorites. Although fullerenes have not previously been detected in the Murchison and Allende meteorites, the Allende meteorite is known to contain several well-ordered graphite particles which are remarkably similar in size and appearance to the fullerene-related structures carbon onions and nanotubes. We report that fullerenes are in fact present in trace amounts in the Allende meteorite. In addition to fullerenes, we detected many polycyclic aromatic hydrocarbons (PAHs) in the Allende meteorite, consistent with previous reports. In particular, we detected benzofluoranthene and corannulene (C20H10), five-membered ring structures which have been proposed as precursors to the formation of fullerene synthesis, perhaps within circumstellar envelopes or other sites in the interstellar medium.

  7. Thermomechanical Stresses in Fullerenes at Nanotube

    OpenAIRE

    Pugno, Nicola M.

    2008-01-01

    The thermomechanical stresses acting between a nanotube and fullerenes encapsulated on it are computed. After a general formulation, based on elasticity, we have applied the analysis to C82000040(10,10) or C60000040(10,10) peapods finding stresses in the gigapascal range or vanishing, respectively. The analysis suggests that a thermal control could be used to produce smart fullerenes at nanotube systems, for example, as two-stage nanovectors for drug delivery.

  8. Thermomechanical Stresses in Fullerenes at Nanotube

    Directory of Open Access Journals (Sweden)

    Nicola M. Pugno

    2008-01-01

    Full Text Available The thermomechanical stresses acting between a nanotube and fullerenes encapsulated on it are computed. After a general formulation, based on elasticity, we have applied the analysis to C82000040(10,10 or C60000040(10,10 peapods finding stresses in the gigapascal range or vanishing, respectively. The analysis suggests that a thermal control could be used to produce smart fullerenes at nanotube systems, for example, as two-stage nanovectors for drug delivery.

  9. Material and energy intensity of fullerene production.

    Science.gov (United States)

    Anctil, Annick; Babbitt, Callie W; Raffaelle, Ryne P; Landi, Brian J

    2011-03-15

    Fullerenes are increasingly being used in medical, environmental, and electronic applications due to their unique structural and electronic properties. However, the energy and environmental impacts associated with their commercial-scale production have not yet been fully investigated. In this work, the life cycle embodied energy of C(60) and C(70) fullerenes has been quantified from cradle-to-gate, including the relative contributions from synthesis, separation, purification, and functionalization processes, representing a more comprehensive scope than used in previous fullerene life cycle studies. Comparison of two prevalent production methods (plasma and pyrolysis) has shown that pyrolysis of 1,4-tetrahydronaphthalene emerges as the method with the lowest embodied energy (12.7 GJ/kg of C(60)). In comparison, plasma methods require a large amount of electricity, resulting in a factor of 7-10× higher embodied energy in the fullerene product. In many practical applications, fullerenes are required at a purity >98% by weight, which necessitates multiple purification steps and increases embodied energy by at least a factor of 5, depending on the desired purity. For applications such as organic solar cells, the purified fullerenes need to be chemically modified to [6,6]-phenyl-C(61)-butyric acid methyl ester (PCBM), thus increasing the embodied energy to 64.7 GJ/kg C(60)-PCBM for the specified pyrolysis, purification, and functionalization conditions. Such synthesis and processing effects are even more significant for the embodied energy of larger fullerenes, such as C(70), which are produced in smaller quantities and are more difficult to purify. Overall, the inventory analysis shows that the embodied energy of all fullerenes are an order of magnitude higher than most bulk chemicals, and, therefore, traditional cutoff rules by weight during life cycle assessment of fullerene-based products should be avoided. PMID:21332197

  10. Photodiodes based on fullerene semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Voz, C. [Micro and Nano Technology Group (MNT), Departament Enginyeria Electronica, Universitat Politecnica Catalunya, c/ Jordi Girona 1-3 Campus Nord C4, 08034-Barcelona (Spain)], E-mail: cvoz@eel.upc.edu; Puigdollers, J. [Micro and Nano Technology Group (MNT), Departament Enginyeria Electronica, Universitat Politecnica Catalunya, c/ Jordi Girona 1-3 Campus Nord C4, 08034-Barcelona (Spain); Cheylan, S. [ICFO- Institut de Ciencies Fotoniques, Mediterranean Technology Park, Av. del Canal Olimpic s/n, 08860-Castelldefels (Spain); Fonrodona, M.; Stella, M.; Andreu, J. [Solar Energy Group, Departament Fisica Aplicada i Optica, Universitat de Barcelona, Avda. Diagonal 647, 08028-Barcelona (Spain); Alcubilla, R. [Micro and Nano Technology Group (MNT), Departament Enginyeria Electronica, Universitat Politecnica Catalunya, c/ Jordi Girona 1-3 Campus Nord C4, 08034-Barcelona (Spain)

    2007-07-16

    Fullerene thin films have been deposited by thermal evaporation on glass substrates at room temperature. A comprehensive optical characterization was performed, including low-level optical absorption measured by photothermal deflection spectroscopy. The optical absorption spectrum reveals a direct bandgap of 2.3 eV and absorption bands at 2.8 and 3.6 eV, which are related to the creation of charge-transfer excitons. Various photodiodes on indium-tin-oxide coated glass substrates were also fabricated, using different metallic contacts in order to compare their respective electrical characteristics. The influence of a poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) buffer layer between the indium-tin-oxide electrode and the fullerene semiconductor is also demonstrated. These results are discussed in terms of the workfunction for each electrode. Finally, the behaviour of the external quantum efficiency is analyzed for the whole wavelength spectrum.

  11. Polyhydroxy fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Georgieva, Angelina T., E-mail: angelinageorgieva2009@gmail.com [University of Florida, Department of Materials Science and Engineering, Particle Engineering Research Center (United States); Pappu, Vijay [University of Florida, Center for Applied Optimization (United States); Krishna, Vijay [University of Florida, Department of Materials Science and Engineering, Particle Engineering Research Center (United States); Georgiev, Pando G. [University of Florida, Center for Applied Optimization (United States); Ghiviriga, Ion [University of Florida, NMR Facility, Department of Chemistry (United States); Indeglia, Paul [Agency for Sustainable Systems in Science and Technology, Inc. (United States); Xu, Xin; Fan, Z. Hugh [University of Florida, Department of Mechanical and Aerospace Engineering (United States); Koopman, Ben [University of Florida, Department of Environmental Engineering Sciences (United States); Pardalos, Panos M. [University of Florida, Center for Applied Optimization (United States); Moudgil, Brij [University of Florida, Department of Materials Science and Engineering, Particle Engineering Research Center (United States)

    2013-07-15

    Characterization of C{sub 60} polyhydroxyfullerenes (PHF) prepared in alkaline media, preparation facilitated by phase-transfer catalyst, presents challenges in determining the chemical structure resulting from the possibility of multiple isomers or analogs with greater or fewer hydroxyl groups from a single reaction mixture. This paper presents the utilization of analytical methods employed in tandem, especially X-ray photoelectron spectroscopy, nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy for semi-quantitative analysis on the number of hydroxyl groups present in PHF. Capillary Electrophoresis was used for purity estimation of the material. Multiple spectra and electropherograms were analyzed using a new simultaneous curve fitting method. The most accurate estimate of hydroxyl groups for C{sub 60} polyhydroxy fullerenes obtained is between 16 and 18 allylic hydroxyl groups by combining analytical methods' results with 5 % accuracy. High precision (reproducibility) of the experiments is observed. Purity of 98 % is estimated by capillary electrophoresis. The size of PHF nanoparticles or aggregates has been determined by atomic force microscopy to be 7.4-14.2 nm. According to the elemental analysis the average probable empirical formula for the most pure PHF at pH 7.1 is C{sub 60}O{sub 17}H{sub 12}Na{sub 5}(NaHCO{sub 3}){sub 3}(H{sub 2}O){sub 13} and the average formula weight is 1,605.9 g/mol. This is the first thorough characterization of PHF in terms of purity.

  12. Recent advances in fullerene science (Invited)

    Energy Technology Data Exchange (ETDEWEB)

    Dunk, P. W.; Marshall, A. G. [Department of Chemistry and Biochemistry, 95 Chieftain Way, Florida State University, Tallahassee, Florida 32306, USA and Ion Cyclotron Resonance Program, National High Magnetic Field Laboratory, Florida State University, 1800 East Paul Dirac Drive (United States); Mulet-Gas, M.; Rodriguez-Fortea, A.; Poblet, J. M. [Departament de Química Físicai Inorgànica, Universitat Rovirai Virgili c/Marcellí Domingo s/n, 43007 Tarragona (Spain); Kroto, H. W. [Department of Chemistry and Biochemistry, 95 Chieftain Way, Florida State University, Tallahassee, Florida 32306 (United States)

    2014-12-09

    The development of very high resolution FT-ICR mass spectrometers (Marshall et al, 1998) has made a wide range of new measurements possible and by combining this new technology with laser vaporization supersonic beam methods of producing carbon species (chains, rings and fullerenes), new advances in understanding of the fullerene creation mechanisms and their reactivity have been possible. In this overview, new understanding has been developed with regard to: a) closed-network growth of fullerenes (Dunk et al, 2012a); b) small endohedral species such as MαC{sub 28} (Dunk et al., 2012b); c) metallofullerene and fullerene formation under conditions in stellar outflows with relevance to stardust (Dunk et al., 2013a) and d) The formation of heterofullerenes by direct exposure of C{sub 60} toboron vapor (Dunk et al., 2013b)

  13. Fullerene derivatives as electron donor for organic photovoltaic cells

    International Nuclear Information System (INIS)

    We demonstrated the performance of unconventional, all-fullerene-based, planar heterojunction (PHJ) organic photovoltaic (OPV) cells using fullerene derivatives indene-C60 bisadduct (ICBA) and phenyl C61-butyric acid methyl ester as the electron donors with fullerene C70 as the electron acceptor. Two different charge generation processes, including charge generation in the fullerene bulk and exciton dissociation at the donor-acceptor interface, have been found to exist in such all-fullerene-based PHJ cells and the contribution to the total photocurrent from each process is strongly dependent on the thickness of fullerene donor. The optimized 5 nm ICBA/40 nm C70 PHJ cell gives clear external quantum efficiency responses for the long-wavelength photons corresponding to the dissociation of strongly bound Frenkel excitons, which is hardly observed in fullerene-based single layer reference devices. This approach using fullerene as a donor material provides further possibilities for developing high performance OPV cells

  14. Beyond fullerenes: design of nonfullerene acceptors for efficient organic photovoltaics.

    Science.gov (United States)

    Li, Haiyan; Earmme, Taeshik; Ren, Guoqiang; Saeki, Akinori; Yoshikawa, Saya; Murari, Nishit M; Subramaniyan, Selvam; Crane, Matthew J; Seki, Shu; Jenekhe, Samson A

    2014-10-15

    New electron-acceptor materials are long sought to overcome the small photovoltage, high-cost, poor photochemical stability, and other limitations of fullerene-based organic photovoltaics. However, all known nonfullerene acceptors have so far shown inferior photovoltaic properties compared to fullerene benchmark [6,6]-phenyl-C60-butyric acid methyl ester (PC60BM), and there are as yet no established design principles for realizing improved materials. Herein we report a design strategy that has produced a novel multichromophoric, large size, nonplanar three-dimensional (3D) organic molecule, DBFI-T, whose π-conjugated framework occupies space comparable to an aggregate of 9 [C60]-fullerene molecules. Comparative studies of DBFI-T with its planar monomeric analogue (BFI-P2) and PC60BM in bulk heterojunction (BHJ) solar cells, by using a common thiazolothiazole-dithienosilole copolymer donor (PSEHTT), showed that DBFI-T has superior charge photogeneration and photovoltaic properties; PSEHTT:DBFI-T solar cells combined a high short-circuit current (10.14 mA/cm(2)) with a high open-circuit voltage (0.86 V) to give a power conversion efficiency of 5.0%. The external quantum efficiency spectrum of PSEHTT:DBFI-T devices had peaks of 60-65% in the 380-620 nm range, demonstrating that both hole transfer from photoexcited DBFI-T to PSEHTT and electron transfer from photoexcited PSEHTT to DBFI-T contribute substantially to charge photogeneration. The superior charge photogeneration and electron-accepting properties of DBFI-T were further confirmed by independent Xenon-flash time-resolved microwave conductivity measurements, which correctly predict the relative magnitudes of the conversion efficiencies of the BHJ solar cells: PSEHTT:DBFI-T > PSEHTT:PC60BM > PSEHTT:BFI-P2. The results demonstrate that the large size, multichromophoric, nonplanar 3D molecular design is a promising approach to more efficient organic photovoltaic materials.

  15. Biological activities of water-soluble fullerene derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, S; Mashino, T [Department of Pharmaceutical Sciences, Faculty of Pharmacy, Keio University, 1-5-30 Shiba-koen, Minato-ku, Tokyo 105-8512 (Japan)], E-mail: mashino-td@pha.keio.ac.jp

    2009-04-01

    Three types of water-soluble fullerene derivatives were synthesized and their biological activities were investigated. C{sub 60}-dimalonic acid, an anionic fullerene derivative, showed antioxidant activity such as quenching of superoxide and relief from growth inhibition of E. coli by paraquat. C{sub 60}-bis(7V,7V-dimethylpyrrolidinium iodide), a cationic fullerene derivative, has antibacterial activity and antiproliferative effect on cancer cell lines. The mechanism is suggested to be respiratory chain inhibition by reactive oxygen species produced by the cationic fullerene derivative. Proline-type fullerene derivatives showed strong inhibition activities on HIV-reverse transcriptase. The IC{sub 50} values were remarkably lower than nevirapine, a clinically used anti-HIV drug. Fullerene derivatives have a big potential for a new type of lead compound to be used as medicine.

  16. Characterization of naturally-occurring and modified fullerenes by Fourier transform mass spectrometry

    Science.gov (United States)

    Hettich, Robert L.; Jin, Changming; Compton, Robert N.; Buseck, Peter R.; Tsipursky, Semeon J.

    1993-10-01

    Fourier transform mass spectrometry (FTMS) employing both laser desorption/ionization and thermal desorption/electron ionization is useful for the detection and structural characterization of fullerenes and chemically-modified fullerenes. Examination of a carbon-rich shungite rock sample from Russia by transmission electron microscopy and FTMS provided evidence of naturally-occurring fullerenes. Ion-molecule reactions can be studied with FTMS to investigate the electron affinities of modified fullerenes. By monitoring charge exchange reactions, the electron affinities of C60Fx (x=44,46) and C70Fy (y=52,54) were found to be substantially higher than the values for the parent fullerenes.

  17. Interstellar and circumstellar fullerenes

    CERN Document Server

    Bernard-Salas, J; Jones, A P; Peeters, E; Micelotta, E R; Otsuka, M; Sloan, G C; Kemper, F; Groenewegen, M

    2014-01-01

    Fullerenes are a particularly stable class of carbon molecules in the shape of a hollow sphere or ellipsoid that might be formed in the outflows of carbon stars. Once injected into the interstellar medium (ISM), these stable species survive and are thus likely to be widespread in the Galaxy where they contribute to interstellar extinction, heating processes, and complex chemical reactions. In recent years, the fullerene species C60 (and to a lesser extent C70) have been detected in a wide variety of circumstellar and interstellar environments showing that when conditions are favourable, fullerenes are formed efficiently. Fullerenes are the first and only large aromatics firmly identified in space. The detection of fullerenes is thus crucial to provide clues as to the key chemical pathways leading to the formation of large complex organic molecules in space, and offers a great diagnostic tool to describe the environment in which they reside. Since fullerenes share many physical properties with PAHs, understand...

  18. Studies on Preparation of Onion-like Fullerenes by Vacuum Heat-treatment

    Institute of Scientific and Technical Information of China (English)

    Zhang Yan; Hou Li-feng; Wang Xiao-min; Liu Xu-guang; Xu Bing-she

    2004-01-01

    Onion-like Fullerenes were produced at high-temperature in vacuum. The morphology of the carbon nano onion-like fullerenes was examined and characterized by high-resolution transmission electron microscopy (HRTEM). It can be seen that the nano-sized, onion-like fullerenes possess high degree of graphization. The results suggested that the catalyst is the main factor affecting the size and yield of the fullerenes. The method is very promising for simple mass production.

  19. Morphology of nested fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Srolovitz, D.J.; Safran, S.A.; Homyonfer, M.; Tenne, R. (Department of Materials and Interfaces, Weizmann Institute of Science, Rehovot 76100 (Israel))

    1995-03-06

    We introduce a continuum model which shows that dislocations and/or grain boundaries are intrinsic features of nested fullerenes whose thickness exceeds a critical value to relieve the large inherent strains in these structures. The ratio of the thickness to the radius of the nested fullerenes is determined by the ratio of the surface to curvature and dislocation (or grain boundary) energies. Confirming experimental evidence is presented for nested fullerenes with small thicknesses and with spherosymmetric shapes.

  20. The topology of fullerenes

    DEFF Research Database (Denmark)

    Schwerdtfeger, Peter; Wirz, Lukas; Avery, James Emil

    2014-01-01

    Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a number of chemical properties of a fullerene can be derived from its graph structure. A rich mathematics of cubic planar g....... In this paper, we present a general overview of recent topological and graph theoretical developments in fullerene research over the past two decades, describing both solved and open problems....

  1. The Generation of Fullerenes

    OpenAIRE

    Brinkmann, Gunnar; Goedgebeur, Jan; McKay, Brendan D.

    2012-01-01

    We describe an efficient new algorithm for the generation of fullerenes. Our implementation of this algorithm is more than 3.5 times faster than the previously fastest generator for fullerenes -- fullgen -- and the first program since fullgen to be useful for more than 100 vertices. We also note a programming error in fullgen that caused problems for 136 or more vertices. We tabulate the numbers of fullerenes and IPR fullerenes up to 400 vertices. We also check up to 316 vertices a conjecture...

  2. Sprite produced by consecutive impulse charge transfers following a negative stroke: Observation and simulation

    Science.gov (United States)

    Lu, Gaopeng; Cummer, Steven A.; Tian, Ye; Zhang, Hongbo; Lyu, Fanchao; Wang, Tao; Stanley, Mark A.; Yang, Jing; Lyons, Walter A.

    2016-04-01

    On the morning of 5 June 2013, two cameras of the SpriteCam network concurrently captured a red sprite with diffuse halo over a mesoscale convective system (MCS) passing the panhandle area of Oklahoma. This sprite was produced by a negative cloud-to-ground (CG) stroke with peak current of -103 kA in a manner different from previous observations in several aspects. First of all, the causative stroke of sprite is located by the National Lightning Detection Network (NLDN) in the trailing stratiform of MCS, instead of the deep convection typically for negative sprites. Second, the sprite-producing stroke was likely the first stroke of a multistroke negative CG flash (with ≥6 CG strokes) whose evolution was mainly confined in the lower part of thunderstorm; although the parent flash of sprite might contain relatively long in-cloud evolution prior to the first stroke, there is no evidence that the negative leader had propagated into the upper positive region of thundercloud as typically observed for the sprite-producing/class negative CG strokes. Third, as shown by the simulation with a two-dimensional full-wave electrodynamic model, although the impulse charge moment change (-190 C km) produced by the main stroke was not sufficient to induce conventional breakdown in the mesosphere, a second impulse charge transfer occurred with ~2 ms delay to cause a substantial charge transfer (-290 C km) so that the overall charge moment change (-480 C km) exceeded the threshold for sprite production; this is a scenario different from the typical case discussed by Li et al. (2012). As for the source of the second current pulse that played a critical role to produce the sprite, it could be an M component whose charge source was at least 9 km horizontally displaced from the main stroke or a negative CG stroke (with weak peak current for the return stroke) that was not detected by the NLDN.

  3. Fullerene and oxidative stress

    Directory of Open Access Journals (Sweden)

    M. A. Orlova

    2012-01-01

    Full Text Available Fullerene derivatives superfamily attracts a serious attention as antiviral and anticancer agents and drug delivery carriers as well. A large number of such fullerene С60 derivatives obtained to date. However, there is an obvious deficit of information about causes and mechanisms of immediately and long-term consequences of their effects in vivo which is a true obstacle on the way leading to their practical medical using. First, this concerns their impact on the proliferation, apoptosis and necrosis regulation. Fullerene nanoparticle functionalization type, their sizes and surface nanopathology are of great importance for further promoting of either cytoprotective or cytotoxic effects. One of the main effects of fullerenes on living systems is the reactive oxygen species (ROS formation induction. This lecture provides a modern concept analysis regarding fullerenes effects on ROS formation and modulation of proliferation and apoptosis in normal and tumor cells.

  4. Fullerene and oxidative stress

    Directory of Open Access Journals (Sweden)

    M. A. Orlova

    2014-07-01

    Full Text Available Fullerene derivatives superfamily attracts a serious attention as antiviral and anticancer agents and drug delivery carriers as well. A large number of such fullerene С60 derivatives obtained to date. However, there is an obvious deficit of information about causes and mechanisms of immediately and long-term consequences of their effects in vivo which is a true obstacle on the way leading to their practical medical using. First, this concerns their impact on the proliferation, apoptosis and necrosis regulation. Fullerene nanoparticle functionalization type, their sizes and surface nanopathology are of great importance for further promoting of either cytoprotective or cytotoxic effects. One of the main effects of fullerenes on living systems is the reactive oxygen species (ROS formation induction. This lecture provides a modern concept analysis regarding fullerenes effects on ROS formation and modulation of proliferation and apoptosis in normal and tumor cells.

  5. Properties of cold ions produced by synchrotron radiation and by charged particle impact

    Science.gov (United States)

    Levin, J. C.; Biedermann, C.; Cederquist, H.; O, C.-S.; Short, R. T.; Sellin, I. A.

    1989-04-01

    Argon recoil ions produced by beams of 0.8 MeV/u Cl 5+ have been detected by time-of-flight (TOF) techniques in coincidence with the loss of from one to five projectile electrons. Recoil-ion energies have been determined to be more than an order of magnitude higher than those of highly charged ions produced by unmonochromatized synchrotron radiation. Charge-state distributions, however, show similarities, suggesting that loss of projectile electrons corresponds, in some cases, to inner-shell target ionization producing vacancy cascades. In an essential improvement to the usual multinomial description of ionization in the independent-electron-ejection model, we find the inclusion of Auger vacancy cascades significantly alters the description of the recoil ion spectra corresponding to the projectile-electron loss. These conclusions are consistent with impact parameters inferred from determination of mean recoil energy.

  6. Properties of cold ions produced by synchrotron radiation and by charged particle impact

    Energy Technology Data Exchange (ETDEWEB)

    Levin, J.C.; Biederman, C.; Cederquist, H.; O, C.S.; Short, R.T.; Sellin, I.A.

    1988-01-01

    Argon recoil ions produced by beams of 0.8 MeV/u Cl/sup 5 +/ have been detected by time-of-flight (TOF) techniques in coincidence with the loss of from one to five projectile electrons. Recoil-ion energies have been determined to be more than an order of magnitude higher than those of highly-charged ions produced by unmonochromatized synchrotron radiation. Charge-state distributions, however, show similarities, suggesting that loss of projectile electrons corresponds, in some cases, to inner-shell target ionization producing vacancy cascades. In an essential improvement to the usual multinomial description of ionization in the independent-electron-ejection model, we find the inclusion of Auger vacancy cascades significantly alters the description of the recoil ion spectra corresponding to projectile-electron loss. These conclusions are consistent with impact parameters inferred from determinations of mean recoil energy. 11 refs., 5 figs.

  7. Laser Plasmas : Multiple charge states of titanium ions in laser produced plasma

    Indian Academy of Sciences (India)

    M Shukla; S Bandhyopadhyay; V N Rai; A V Kilpio; H C Pant

    2000-11-01

    An intense laser radiation (1012 to 1014 W/cm-2) focused on the solid target creates a hot (≥ 1 keV) and dense plasma having high ionization state. The multiple charged ions with high current densities produced during laser matter interaction have potential application in accelerators as an ion source. This paper presents generation and detection of highly stripped titanium ions (Ti) in laser produced plasma. An Nd:glass laser (KAMETRON) delivering 50 J energy ( = 0.53 m) in 2.5 ns was focused onto a titanium target to produce plasma. This plasma was allowed to drift across a space of ∼ 3 m through a diagnostic hole in the focusing mirror before ions are finally detected with the help of electrostatic ion analyzer. Maximum current density was detected for the charge states of +16 and +17 of Ti ions for laser intensity of ∼ 1014 W/cm-2.

  8. A search for charged scalar particles pair produced in e+e- annihilation

    International Nuclear Information System (INIS)

    We have searched for unstable charged scalar particles (S+-) such as techni-pions or charged Higgs particles pair produced in high energy e+e- annihilation. No evidence for such particles was observed in both decay modes e+e- → S+S- → (tauν)(hadrons) and → (tauν)(tauν). Upper limits of 4 to 11% are obtained for the branching ratio S+- → (tauν) in the S+- mass range between 4 to 12 GeV. (orig.)

  9. Adsorption of amino acids by fullerenes and fullerene nanowhiskers

    Science.gov (United States)

    Hashizume, Hideo; Hirata, Chika; Fujii, Kazuko; Miyazawa, Kun'ichi

    2015-12-01

    We have investigated the adsorption of some amino acids and an oligopeptide by fullerene (C60) and fullerene nanowhiskers (FNWs). C60 and FNWs hardly adsorbed amino acids. Most of the amino acids used have a hydrophobic side chain. Ala and Val, with an alkyl chain, were not adsorbed by the C60 or FNWs. Trp, Phe and Pro, with a cyclic structure, were not adsorbed by them either. The aromatic group of C60 did not interact with the side chain. The carboxyl or amino group, with the frame structure of an amino acid, has a positive or negative charge in solution. It is likely that the C60 and FNWs would not prefer the charged carboxyl or amino group. Tri-Ala was adsorbed slightly by the C60 and FNWs. The carboxyl or amino group is not close to the center of the methyl group of Tri-Ala. One of the methyl groups in Tri-Ala would interact with the aromatic structure of the C60 and FNWs. We compared our results with the theoretical interaction of 20 bio-amino acids with C60. The theoretical simulations showed the bonding distance between C60 and an amino acid and the dissociation energy. The dissociation energy was shown to increase in the order, Val acids did not show a different adsorption behavior compared with other amino acids. The adsorptive behavior of mono-amino acids might be different from that of polypeptides.

  10. The quest for inorganic fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.; Ganteför, Gerd, E-mail: gerd.gantefoer@uni-konstanz.de, E-mail: ydkim91@skku.edu [Department of Physics, University of Konstanz, D-78457 Konstanz (Germany); Park, Eun Ji; Kim, Young Dok, E-mail: gerd.gantefoer@uni-konstanz.de, E-mail: ydkim91@skku.edu [Department of Chemistry, Sungkyunkwan University, 440-746 Suwon (Korea, Republic of); Seo, Hyun Ook [Center for Free-Electron Laser Science/DESY, D-22607 Hamburg (Germany); Idrobo, Juan-Carlos [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Pennycook, Stephen J. [Department of Materials Science and Engineering, National University of Singapore, Singapore 117575 (Singapore)

    2015-10-07

    Experimental results of the search for inorganic fullerenes are presented. Mo{sub n}S{sub m}{sup −} and W{sub n}S{sub m}{sup −} clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.

  11. Organic–Inorganic Nanostructure Architecture via Directly Capping Fullerenes onto Quantum Dots

    Directory of Open Access Journals (Sweden)

    Kim Jonggi

    2011-01-01

    Full Text Available Abstract A new form of fullerene-capped CdSe nanoparticles (PCBA-capped CdSe NPs, using carboxylate ligands with [60]fullerene capping groups that provides an effective synthetic methodology to attach fullerenes noncovalently to CdSe, is presented for usage in nanotechnology and photoelectric fields. Interestingly, either the internal charge transfer or the energy transfer in the hybrid material contributes to photoluminescence (PL quenching of the CdSe moieties.

  12. Formation and properties of electroactive fullerene based films with a covalently attached ferrocenyl redox probe

    Energy Technology Data Exchange (ETDEWEB)

    Wysocka-Zolopa, Monika [Institute of Chemistry, University of Bialystok, Hurtowa 1, 15-399 Bialystok (Poland); Winkler, Krzysztof, E-mail: winkler@uwb.edu.pl [Institute of Chemistry, University of Bialystok, Hurtowa 1, 15-399 Bialystok (Poland); Caballero, Ruben [Instituto de Nanociencia, Nanotecnologia y Materiales Moleculares (INAMOL), Universidad de Castilla-La Mancha, 45071 Toledo (Spain); Langa, Fernando, E-mail: Fernando.lpuente@uclm.es [Instituto de Nanociencia, Nanotecnologia y Materiales Moleculares (INAMOL), Universidad de Castilla-La Mancha, 45071 Toledo (Spain)

    2011-06-30

    Highlights: > Formation of redox active films of ferrocene derivatives of C{sub 60} and palladium. > Fullerene moieties are covalently bonded to palladium atoms to form a polymeric network. > Electrochemical activity at both positive and negative potentials. > Charge transfer processes accompanied by transport of supporting electrolyte to and from the polymer layers. - Abstract: Redox active films have been produced via electrochemical reduction in a solution containing palladium(II) acetate and ferrocene derivatives of C{sub 60} (Fc-C{sub 60} and bis-Fc-C{sub 60}). In these films, fullerene moieties are covalently bonded to palladium atoms to form a polymeric network. Fc-C{sub 60}/Pd and bis-Fc-C{sub 60}/Pd films form uniform and relatively smooth layers on the electrode surface. These films are electrochemically active in both the positive and negative potential regions. At negative potentials, reduction of fullerene moiety takes place resulting in voltammetric behavior resembles typical of conducting polymers. In the positive potential range, oxidation of ferrocene is responsible for the formation of a sharp and symmetrical peak on the voltammograms. In this potential range, studied films behave as typical redox polymers. The charge associated with the oxidation process depends on the number of ferrocene units attached to the C{sub 60} moiety. Oxidation and reduction of these redox active films are accompanied by transport of supporting electrolyte to and from the polymer layer. Films also show a higher permeability to anions than to cations.

  13. Terrestrial and extraterrestrial fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Heymann, D.; Jenneskens, L.W.; Jehlicka, J; Koper, C.; Vlietstra, E. [Rice Univ, Houston, TX (United States). Dept. of Earth Science

    2003-07-01

    This paper reviews reports of occurrences of fullerenes in circumstellar media, interstellar media, meteorites, interplanetary dust particles (IDPs), lunar rocks, hard terrestrial rocks from Shunga (Russia), Sudbury (Canada) and Mitov (Czech Republic), coal, terrestrial sediments from the Cretaceous-Tertiary-Boundary and Pennian-Triassic-Boundary, fulgurite, ink sticks, dinosaur eggs, and a tree char. The occurrences are discussed in the context of known and postulated processes of fullerene formation, including the suggestion that some natural fullerenes might have formed from biological (algal) remains.

  14. Fullerenes with distant pentagons

    OpenAIRE

    Goedgebeur, Jan; McKay, Brendan D.

    2015-01-01

    For each $d>0$, we find all the smallest fullerenes for which the least distance between two pentagons is $d$. We also show that for each $d$ there is an $h_d$ such that fullerenes with pentagons at least distance $d$ apart and any number of hexagons greater than or equal to $h_d$ exist. We also determine the number of fullerenes where the minimum distance between any two pentagons is at least $d$, for $1 \\le d \\le 5$, up to 400 vertices.

  15. Conversion of fullerenes to diamonds

    Science.gov (United States)

    Gruen, Dieter M.

    1995-01-01

    A method of forming synthetic diamond or diamond-like films on a substrate surface. The method involves the steps of providing a vapor selected from the group of fullerene molecules or an inert gas/fullerene molecule mixture, providing energy to the fullerene molecules consisting of carbon-carbon bonds, the energized fullerene molecules breaking down to form fragments of fullerene molecules including C.sub.2 molecules and depositing the energized fullerene molecules with C.sub.2 fragments onto the substrate with farther fragmentation occurring and forming a thickness of diamond or diamond-like films on the substrate surface.

  16. Fullerene and apoptosis

    Directory of Open Access Journals (Sweden)

    M. A. Orlova

    2013-01-01

    Full Text Available Fullerene derivatives superfamily attracts a serious attention as antiviral and anticancer agents and drug delivery carriers as well. A large number of such fullerene С60 derivatives obtained to date. However, there is an obvious deficit of information about causes and mechanisms of immediately and long-term consequences of their effects in vivo which is a true obstacle on the way leading to practical medical use of them. First, this concerns their impact on the proliferation, apoptosis and necrosis regulation. Fullerene nanoparticle functionalization type, their sizes and surface nanopathology are of great importance to further promoting of either cytoprotective or cytotoxic effects. This lecture provides modern concept analysis regarding fullerenes effects on apoptosis pathway in normal and tumor cells.

  17. Fullerene and apoptosis

    Directory of Open Access Journals (Sweden)

    M. A. Orlova

    2014-07-01

    Full Text Available Fullerene derivatives superfamily attracts a serious attention as antiviral and anticancer agents and drug delivery carriers as well. A large number of such fullerene С60 derivatives obtained to date. However, there is an obvious deficit of information about causes and mechanisms of immediately and long-term consequences of their effects in vivo which is a true obstacle on the way leading to practical medical use of them. First, this concerns their impact on the proliferation, apoptosis and necrosis regulation. Fullerene nanoparticle functionalization type, their sizes and surface nanopathology are of great importance to further promoting of either cytoprotective or cytotoxic effects. This lecture provides modern concept analysis regarding fullerenes effects on apoptosis pathway in normal and tumor cells.

  18. Interstellar and circumstellar fullerenes

    OpenAIRE

    Bernard-Salas, J.; Cami, J.; Jones, A. P.; E. Peeters; Micelotta, E. R.; Otsuka, M; Sloan, G. C.; Kemper, F.; Groenewegen, M.

    2014-01-01

    Fullerenes are a particularly stable class of carbon molecules in the shape of a hollow sphere or ellipsoid that might be formed in the outflows of carbon stars. Once injected into the interstellar medium (ISM), these stable species survive and are thus likely to be widespread in the Galaxy where they contribute to interstellar extinction, heating processes, and complex chemical reactions. In recent years, the fullerene species C60 (and to a lesser extent C70) have been detected in a wide var...

  19. The effect of molecular geometry on the photovoltaic property of diketopyrrolopyrrole based non-fullerene acceptors

    DEFF Research Database (Denmark)

    Zhang, Fei; Brandt, Rasmus Guldbæk; Gu, Zhuowei;

    2015-01-01

    The non-fullerene acceptors with different geometric structures have great impact on light absorption, exciton dissociation, and charge transportation in the active layer of organic solar cells (OSCs). In this paper, we designed and synthesized two diketopyrrolopyrrole based non-fullerene acceptors...

  20. Incorporation of Pure Fullerene into Organoclays : Towards C60-Pillared Clay Structures

    NARCIS (Netherlands)

    Tsoufis, Theodoros; Georgakilas, Vasileios; Ke, Xiaoxing; Van Tendeloo, Gustaaf; Rudolf, Petra; Gournis, Dimitrios

    2013-01-01

    In this work, we demonstrate the successful incorporation of pure fullerene from solution into two-dimensional layered aluminosilicate minerals. Pure fullerenes are insoluble in water and neutral in terms of charge, hence they cannot be introduced into the clay galleries by ion exchange or intercala

  1. Channeling of fast particles in fullerenes

    CERN Document Server

    Zhevago, N K

    2002-01-01

    The theory on channeling the relativistic electrons and positrons as well as positively and negatively charged ions in the fullerenes molecular crystals (fullerites) is developed. The calculation of the crystalline potentials is carried out and spatial and angular distribution of the particles beams, propagating along the main crystallographic directions is studied. The method making it possible to account for the effect of the incoherent scattering on the channeling process is developed

  2. Influence of organic acids on UV-Vis spectra of pyrrolidino- [60]fullerene derivatives

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A pyrrolidino[60]fullerene 1 with pyrrolidine group was synthesized and characterized. The UV-Vis spectra showed that the blue shift of absorption peaks was first observed when strong organic acids such as p-toluene sulfonic or trifluoroacetic acid were added to the solution of pyrrolidino[60]fullerene 1 in dichloromethane. The results indicated that the pyrrolidino[60]fullerene derivatives without pyrrolidine group also possess the same phenomenon. Experiments and computation with the MOPAC 7.0 semi-em- pirical PM3 method demonstrated the reason that some energy gaps on [60]fullerene skeleton were increased because electronic charges on [60]fullerene framework transferred to pyrrolidine ring when strong organic acids were added into pyrrolidino[60]fullerene derivatives' solution; as the result, the complexes could be formed and some absorption wave-lengths blue shifted in the UV-Vis spectrum.

  3. The motion of a charged particle in a magnetic field produced by a column current

    Institute of Scientific and Technical Information of China (English)

    XIANG Yu-min

    2008-01-01

    To determine the motion of a charged particle in a magnetic field produced by a current flowing along a long column conductor, the equation of the motion was established on the basis of Lorentz force. Qualitative analysis and quantitative solutions demonstrated that the motion contains nonlinear oscillation. The oscillation can be treated as the perturbation of the helical motion, which the particle undergoes in a special condition. The general motion is superposition of two helixes, one as an axis spiraled by another. It is proven that the oscillation is stable.

  4. On double bonds in fullerenes

    OpenAIRE

    Stepenshchikov D. G.; Voytekhovsky Yu. L.

    2016-01-01

    Various distributions of double carbon bonds in the fullerenes have been considered in the paper from the point that they are absent in the pentagonal rings. The appropriate classification of the fullerenes has been built. The results may be used when modeling the fullerenes of a given topology and calculating their physical-chemical properties

  5. Process for the removal of impurities from combustion fullerenes

    Science.gov (United States)

    Alford, J. Michael; Bolskar, Robert

    2005-08-02

    The invention generally relates to purification of carbon nanomaterials, particularly fullerenes, by removal of PAHs and other hydrocarbon impurities. The inventive process involves extracting a sample containing carbon nanomaterials with a solvent in which the PAHs are substantially soluble but in which the carbon nanomaterials are not substantially soluble. The sample can be repeatedly or continuously extracted with one or more solvents to remove a greater amount of impurities. Preferred solvents include ethanol, diethyl ether, and acetone. The invention also provides a process for efficiently separating solvent extractable fullerenes from samples containing fullerenes and PAHs wherein the sample is extracted with a solvent in which both fullerenes and PAHs are substantially soluble and the sample extract then undergoes selective extraction to remove PAHs. Suitable solvents in which both fullerenes and PAHs are soluble include o-xylene, toluene, and o-dichlorobenzene. The purification process is capable of treating quantities of combustion soot in excess of one kilogram and can produce fullerenes or fullerenic soot of suitable purity for many applications.

  6. Interaction between fullerene halves Cn (n ≤ 40) and single wall carbon nanotube

    Science.gov (United States)

    Sharma, Amrish; Kaur, Sandeep; Mudahar, Isha

    2016-05-01

    We have investigated the structural and electronic properties of carbon nanotube with small fullerene halves Cn (n ≤ 40) which are covalently bonded to the side wall of an armchair single wall carbon nanotube (SWCNT) using first principle method based on density functional theory. The fullerene size results in weak bonding between fullerene halves and carbon nanotube (CNT). Further, it was found that the C-C bond distance that attaches the fullerene half and CNT is of the order of 1.60 Å. The calculated binding energies indicate the stability of the complexes formed. The HOMO-LUMO gaps and electron density of state plots points towards the metallicity of the complex formed. Our calculations on charge transfer reveal that very small amount of charge is transferred from CNT to fullerene halves.

  7. Polymer:fullerene bulk heterojunction solar cells

    Directory of Open Access Journals (Sweden)

    Jenny Nelson

    2011-10-01

    Full Text Available The efficiency of solar cells made from a conjugated polymer blended with a fullerene derivative has risen from around 1 % to over 9 % in the last ten years, making organic photovoltaic technology a viable contender for commercialization. The efficiency increases have resulted from the development of new materials with lower optical gaps, new polymer:fullerene combinations with higher charge separated state energies, and new approaches to control the blend microstructure, all driven by a qualitative understanding of the principles governing organic solar cell operation. In parallel, a device physics framework has been developed that enables the rational design of device structures and materials for improved organic photovoltaic devices. We review developments in both materials science and device physics for organic photovoltaics.

  8. Magnetic fields produced by rotating symmetrical bodies with homogeneous surface charge density

    Science.gov (United States)

    Espejel-Morales, R.; Murguía-Romero, G.; Calles, A.; Cabrera-Bravo, E.; Morán-López, J. L.

    2016-07-01

    We present a numerical calculation for the stationary magnetic field produced by different rotating bodies with homogeneous and constant surface charge density. The calculation is done by superposing the magnetic field produced by a set of loops of current which mimic the magnetic field produced by belts of current defined by slices of fixed width. We consider the cases of a sphere, ellipsoids, open and closed cylinders and a combination of these in a dumbbell-like shell. We also plot their magnetic field lines using a technique that make use of the Runge–Kutta fourth-order method. Up to our knowledge, the case of closed cylinders was not calculated before. In contrast to previous results, we find that the magnetic field inside finite hollow bodies is homogeneous only in the case of a sphere. This is consequence of the fact that, for the sphere, the surface of any slice taken perpendicularly to the rotation axis, depends only on its thickness, like in the case of an infinite cylinder.

  9. Study on space charge effect in an electrostatic ion analyzer applied to measure laser produced ions

    International Nuclear Information System (INIS)

    The abundance of different ions produced by laser ion sources is usually analyzed by an electrostatic ion analyzer (EIA). Ion current intensities in the range of several mA/cm2 at the position of the EIA have been achieved from the laser ion source developed by the Institute of Modern Physics; this indicates that a noticeable influence of space charge effect during the ion transmission will occur. Hence, while the parameters of the EIA or the beams are changed, such as ion species, current intensity, the ions’ transmission efficiency through the EIA is different, which will result in an uncertainty in the estimation of the ions’ yields. Special attention is focused on this issue in this paper. Ion's transmissions through the EIA under different circumstances are studied with simulations and experiments, the results of which are consistent with each other

  10. Electric discharges produced by clouds of charged water droplets in the presence of moving conducting object

    Science.gov (United States)

    Kostinskiy, Alexander Y.; Syssoev, Vladimir S.; Mareev, Eugene A.; Rakov, Vladimir A.; Andreev, Mikhail G.; Bogatov, Nikolai A.; Makal'sky, Leonid M.; Sukharevsky, Dmitry I.; Aleshchenko, Alexander S.; Kuznetsov, Vladimir E.; Shatalina, Maria V.

    2015-12-01

    The possibility of initiation of electric discharges by a crossbow bolt (projectile) moving in the electric field of a cloud of negatively charged water droplets has been demonstrated for the first time. Over one hundred of discharges have been produced. For each event, a high-speed video camera recorded the images of upward positive leaders developing from both the nearby grounded sphere and the projectile, followed by the return-stroke-like process. Corresponding currents were measured and integrated photos of the events were obtained. The results can help to improve our understanding of lightning initiation by airborne vehicles and by a vertical conductor rapidly extended below the thundercloud in order to trigger lightning with the rocket-and-wire technique.

  11. Combustion Synthesis of Fullerenes and Fullerenic Nanostructures In Microgravity

    Science.gov (United States)

    Howard, Jack B.; Brooker, John E. (Technical Monitor)

    2002-01-01

    The objectives of the proposed research were to determine the effects of gravity on fullerenes formation in flames and, based on the observed effects, to develop fundamental understanding of fullerenes formation and to identify engineering principles for fullerenes production. The research method consisted of the operation of laminar diffusion flames under normal- and reduced-gravity conditions, and the collection from the flames and subsequent analysis of condensables including any fullerenes present, using coupled high performance liquid chromatography/mass spectrometry and high resolution transmission electron microscopy. The focus included fullerene molecules C60 and C70 and fullerenic nanostructures including tubes, spherules and other shapes. The normal-gravity experiments were performed at MIT and complementary reduced-gravity experiments were to have been contributed by NASA. The independent variables of interest are gravity, fuel type, fuel/oxygen ratio, pressure, gas velocity at burner, diluent type and concentration. Given the large number of variables and the absence of data on either fullerene formation in diffusion flames or gravitational effects on fullerene formation in diffusion or premixed flames, the first part of the work was exploratory while the later part involved detailed study of the most interesting mechanisms. Samples of condensable material from laminar low pressure benzene/argon/oxygen diffusion flames were collected and analyzed by high-performance liquid chromatography to determine the yields of fullerenes, and by high-resolution transmission electron microscopy (HRTEM) to characterize the fullerenic material, i.e., curved-layer nanostructures, on and within the soot particles. The highest concentration of fullerenes was always detected just above the visible stoichiometric surface of a flame. The percentage of fullerenes in the condensable material increases with decreasing pressure. The overall highest amount of fullerenes was found

  12. Geological occurrence of fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Buseck, P.R.; Tsipursky, S.J.; Wang, S. (Arizona State Univ., Tempe, AZ (United States)); Hettich, R. (Oak Ridge National Lab., TN (United States))

    1992-01-01

    Using HRTEM imaging, the authors found C[sub 60] and C[sub 70] fullerenes in shungite, a Precambrian carbon-rich rock from Karelia, Russia. Compositionally, shungite represents coals of the meta-anthracite rank, characterized by low ash and sulfur contents, low volatile yields, and high carbon contents. The shungite occurs within metamorphosed sediments. The overlying rocks consist of gray dolomitized sandstones and poorly sorted silts and clays; the underlying rocks are not exposed. The shungite consists of masses containing up to 99% carbon. Diabase is interstratified with shungite-bearing rocks, and the shungite concentration increases with proximity to the diabase. Their sample comes from inclusions in the diabase. In the HRTEM images the fullerenes appear round (presumably roughly spherical in three dimensions), with white rims and black centers, almost identical to images of synthetic C[sub 60] molecules. Following the HRTEM observations, the fullerene identities were confirmed, first by time-of-flight mass spectrometry and then by more precise laser ablation, laser desorption, and thermal desorption ionization plus Fourier transform (FT) mass spectrometry. These measurements verified that the fullerenes were not generated by the laser ionization event. HRTEM images show that locally they occur in ordered arrays that resemble crystals of synthetic C[sub 60]. FT mass spectra show that the C-13/C-12 isotopic ratios for C[sub 60] and C[sub 70] fall within the normal range of terrestrial isotopic values.

  13. Structural and optical characteristics of fullerenes incorporated inside porous silica aerogel

    Science.gov (United States)

    Zhu, Lei; Li, Yufen; Wang, Jue; Shen, Jun

    1995-06-01

    The successful synthesis of fullerene-doped silica aerogel by the sol-gel process followed by the supercritical drying technique is reported. The fullerenes (C 60/C 70) can be embedded inside micropores linked by the silica skeleton and the fullerene structures were retained in the fabrication process as seen using mass spectroscopy, Fourier transform infrared spectroscopy and transmission electron microscopy. The fulleren-doped composites were found to be able to emit intense visible light (2.26 eV) under Ar + laser (488 nm) excitation at room temperature. The luminescent intensity increased strongly with low doping of fullerenes (0.05 mol%), then decreased while the peak was red-shifted and finally quenched upon heavy doping (2.5 mol%). This phenomenon is explained as a result of the quantum confinement effect for fullerenes which produces emissions far above the inter-band gap of C 60/C 70.

  14. Synthesis of Fullerene by Pyrolysis of Acetylene in Thermal HF-Plasma

    Institute of Scientific and Technical Information of China (English)

    ZHU Yanjuan; ZHANG Guofu; ZHANG Wei; LIN Tianjin; XIE Hongbo; LIU Qiuxiang; ZHANG Haiyan

    2007-01-01

    Carbon soot containing fullerene was continuously produced in volume by pyrolyzing acetylene in thermal HF-Plasma. The characteristics of the carbon soot and C60 were analyzed by thtransmission electron microscopy, UV/visible, IR and Raman spectroscopy. The results show that the main ingredients of the carbon soot with size of about 25 nm are amorphous carbon, graphite and fullerene. The fullerene yield in carbon soot is about 2.5 g·h-1. Compared with the graphite arc discharge method, the acetylene thermal plasma method is a preferential one for synthesis of fullerene.

  15. Electronic structure, molecular orientation, charge transfer dynamics and solar cells performance in donor/acceptor copolymers and fullerene: Experimental and theoretical approaches

    International Nuclear Information System (INIS)

    By combining experimental and theoretical approaches, the electronic structure, molecular orientation, charge transfer dynamics and solar cell performance in donor/acceptor copolymer poly[2,7-(9,9-bis(2-ethylhexyl)-dibenzosilole)-alt-4,7-bis(thiophen-2-yl) benzo-2,1,3-thiadiazole] (PSiF-DBT) films and blended with 6,6.-phenyl-C 61-butyric acid methyl ester (PSiF-DBT:PCBM) were investigated. Good agreement between experimental and theoretical PSiF-DBT UV-Vis absorption spectrum is observed and the main molecular orbitals contributing to the spectrum were determined using DFT single point calculations. Non-coplanar configuration was determined by geometric optimization calculation in isolated PSiF-DBT pentamer and corroborated by angular variation of the sulphur 1s near-edge X-ray absorption fine structure (NEXAFS) spectra. Edge-on and plane-on molecular orientations were obtained for thiophene and benzothiadiazole units, respectively. A power conversion efficiency up to 1.58%, open circuit voltage of 0.51 V, short circuit current of 8.71 mA/cm2 and a fill factor of 35% was obtained using blended PSiF-DBT:PCBM as active layer in a bulk heterojunction solar cell. Ultrafast electron dynamics in the low-femtosecond regime was evaluated by resonant Auger spectroscopy using the core-hole clock methodology around sulphur 1s absorption edge. Electron delocalization times for PSiF-DBT and PSiF-DBT:PCBM polymeric films were derived for selected excitation energies corresponding to the main transitions in the sulphur 1s NEXAFS spectra. The mixture of PSiF-DBT with PCBM improves the charge transfer process involving the π* molecular orbital of the thiophene units

  16. Electronic structure, molecular orientation, charge transfer dynamics and solar cells performance in donor/acceptor copolymers and fullerene: Experimental and theoretical approaches

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Basabe, Y.; Borges, B. G. A. L.; Rocco, M. L. M., E-mail: lsroman@fisica.ufpr.br, E-mail: luiza@iq.ufrj.br [Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro 21941-909 (Brazil); Marchiori, C. F. N.; Yamamoto, N. A. D.; Koehler, M.; Roman, L. S., E-mail: lsroman@fisica.ufpr.br, E-mail: luiza@iq.ufrj.br [Departament of Physics, Federal University of Paraná, Curitiba 81531-990 (Brazil); Macedo, A. G. [Departament of Physics, Technological Federal University of Paraná, Curitiba 80230-901 (Brazil)

    2014-04-07

    By combining experimental and theoretical approaches, the electronic structure, molecular orientation, charge transfer dynamics and solar cell performance in donor/acceptor copolymer poly[2,7-(9,9-bis(2-ethylhexyl)-dibenzosilole)-alt-4,7-bis(thiophen-2-yl) benzo-2,1,3-thiadiazole] (PSiF-DBT) films and blended with 6,6.-phenyl-C 61-butyric acid methyl ester (PSiF-DBT:PCBM) were investigated. Good agreement between experimental and theoretical PSiF-DBT UV-Vis absorption spectrum is observed and the main molecular orbitals contributing to the spectrum were determined using DFT single point calculations. Non-coplanar configuration was determined by geometric optimization calculation in isolated PSiF-DBT pentamer and corroborated by angular variation of the sulphur 1s near-edge X-ray absorption fine structure (NEXAFS) spectra. Edge-on and plane-on molecular orientations were obtained for thiophene and benzothiadiazole units, respectively. A power conversion efficiency up to 1.58%, open circuit voltage of 0.51 V, short circuit current of 8.71 mA/cm{sup 2} and a fill factor of 35% was obtained using blended PSiF-DBT:PCBM as active layer in a bulk heterojunction solar cell. Ultrafast electron dynamics in the low-femtosecond regime was evaluated by resonant Auger spectroscopy using the core-hole clock methodology around sulphur 1s absorption edge. Electron delocalization times for PSiF-DBT and PSiF-DBT:PCBM polymeric films were derived for selected excitation energies corresponding to the main transitions in the sulphur 1s NEXAFS spectra. The mixture of PSiF-DBT with PCBM improves the charge transfer process involving the π* molecular orbital of the thiophene units.

  17. Bipolar polaron pair recombination in polymer/fullerene solar cells

    DEFF Research Database (Denmark)

    Kupijai, Alexander J.; Behringer, Konstantin M.; Schaeble, Florian G.;

    2015-01-01

    We present a study of the rate-limiting spin-dependent charge-transfer processes in different polymer/fullerene bulk-heterojunction solar cells at 10 K. Observing central spin-locking signals in pulsed electrically detected magnetic resonance and an inversion of Rabi oscillations in multifrequency...

  18. Distance distributions of photogenerated charge pairs in organic photovoltaic cells.

    Science.gov (United States)

    Barker, Alex J; Chen, Kai; Hodgkiss, Justin M

    2014-08-27

    Strong Coulomb interactions in organic photovoltaic cells dictate that charges must separate over relatively long distances in order to circumvent geminate recombination and produce photocurrent. In this article, we measure the distance distributions of thermalized charge pairs by accessing a regime at low temperature where charge pairs are frozen out following the primary charge separation step and recombine monomolecularly via tunneling. The exponential attenuation of tunneling rate with distance provides a sensitive probe of the distance distribution of primary charge pairs, reminiscent of electron transfer studies in proteins. By fitting recombination dynamics to distributions of recombination rates, we identified populations of charge-transfer states and well-separated charge pairs. For the wide range of materials we studied, the yield of separated charges in the tunneling regime is strongly correlated with the yield of free charges measured via their intensity-dependent bimolecular recombination dynamics at room temperature. We therefore conclude that populations of free charges are established via long-range charge separation within the thermalization time scale, thus invoking early branching between free and bound charges across an energetic barrier. Subject to assumed values of the electron tunneling attenuation constant, we estimate critical charge separation distances of ∼3-4 nm in all materials. In some blends, large fullerene crystals can enhance charge separation yields; however, the important role of the polymers is also highlighted in blends that achieved significant charge separation with minimal fullerene concentration. We expect that our approach of isolating the intrinsic properties of primary charge pairs will be of considerable value in guiding new material development and testing the validity of proposed mechanisms for long-range charge separation.

  19. Unresolved puzzles in the x-ray emission produced by charge exchange measured on electron beam ion traps

    International Nuclear Information System (INIS)

    Charge exchange recombination, the transfer of one or more electrons from an atomic or molecular system to a positive ion, is a common phenomenon affecting laboratory and astrophysical plasmas. Controlled studies of this process in electron beam ion traps during the past one and a half decades have produced multiple observations that are difficult to explain with available spectral models. Some of the most recent observations are so puzzling that they bring in doubt the existence of a coherent predictive capability for line formation by charge exchange, making investigations of charge exchange a fertile ground for continued measurements and theoretical development.

  20. Unresolved puzzles in the x-ray emission produced by charge exchange measured on electron beam ion traps

    Energy Technology Data Exchange (ETDEWEB)

    Beiersdorfer, P.; Brown, G. V.; Clementson, J. [Physics Division, Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, California 94550 (United States); Kilbourne, C. A.; Kelley, R. L.; Leutenegger, M. A.; Porter, F. S. [NASA Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States); Schweikhard, L. [Institute of Physics, Ernst-Moritz-Arndt University, D-17487 Greifswald (Germany)

    2013-04-19

    Charge exchange recombination, the transfer of one or more electrons from an atomic or molecular system to a positive ion, is a common phenomenon affecting laboratory and astrophysical plasmas. Controlled studies of this process in electron beam ion traps during the past one and a half decades have produced multiple observations that are difficult to explain with available spectral models. Some of the most recent observations are so puzzling that they bring in doubt the existence of a coherent predictive capability for line formation by charge exchange, making investigations of charge exchange a fertile ground for continued measurements and theoretical development.

  1. Activated carbons produced from depleted fullerene soot by carbon dioxide activation and their electrochemical properties%富勒烯烟灰萃余物的二氧化碳活化及其电化学性能

    Institute of Scientific and Technical Information of China (English)

    孙利; 王春雷; 周颖; 张旭; 邱介山

    2014-01-01

    以富勒烯烟灰萃余物(DFS)为前驱体,CO2为活化剂,制备出高比表面积纳米级颗粒炭(ADFS)。采用TEM、XRD、氮气吸附技术对材料进行结构表征。研究产品作为电化学电容器电极材料的性能,考察制备工艺及条件对材料性能的影响。结果表明:活化温度和时间是影响产品比表面积和孔结构的主要因素。 ADFS作为电化学电容器电极材料表现出理想的双电层性能和优异的快速充放电性能:经1173 K,CO2活化2 h的样品,在400 mV·s-1扫描速率下,循环伏安曲线依然表现为准矩形特性,在4 A·g-1的电流密度下材料的质量比电容为126 F·g-1。%Activated carbons (ACs) were prepared by CO2 activation using depleted fullerene soot as precursor. The structure of the ACs was investigated by TEM, XRD, and nitrogen adsorption. Their electrochemical properties in electrochemical capacitors were tested by cyclic voltammetry (CV) and galvanostatic charge/discharge methods in a three-electrode cell. Activation temperature and time were proved to be key parameters in controling the development of porosity and surface area of the ACs. The ACs have an excellent electro-chemical performance with fast charge/discharge characteristics. AC activated at 1173 K for 2 h exhibits an excellent electrochemical per-formance even at a high scanning rate of 400 mV·s-1 with a quasi-rectangular CV curve and its specific capacitance is up to 126 F·g-1 at a high current density of 4 A·g-1 .

  2. Characterization of naturally-occurring and modified fullerenes by Fourier transform mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hettich, R.L.; Jin, C.; Compton, R.N. (Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6120 (United States)); Buseck, P.R.; Tsipursky, S.J. (Department of Geology, Arizona State University, Tempe, Arizona 85287 (United States))

    1993-10-10

    Fourier transform mass spectrometry (FTMS) employing both laser desorption/ionization and thermal desorption/electron ionization is useful for the detection and structural characterization of fullerenes and chemically-modified fullerenes. Examination of a carbon-rich shungite rock sample from Russia by transmission electron microscopy and FTMS provided evidence of naturally-occurring fullerenes. Ion-molecule reactions can be studied with FTMS to investigate the electron affinities of modified fullerenes. By monitoring charge exchange reactions, the electron affinities of C[sub 60]F[sub x] (x=44,46) and C[sub 70]F[sub y] (y=52,54) were found to be substantially higher than the values for the parent fullerenes.

  3. Charge distribution on plutonium-containing aerosols produced in mixed-oxide reactor fuel fabrication and the laboratory

    International Nuclear Information System (INIS)

    The inhalation toxicity of potentially toxic aerosols may be affected by the electrostatic charge on the particles. Charge may influence the deposition site during inhalation and therefore its subsequent clearance and dose patterns. The electrostatic charge distributions on plutonium-containing aerosols were measured with a miniature, parallel plate, aerosol electrical mobility spectrometer. Two aerosols were studied: a laboratory-produced 238PuO2 aerosol (15.8 Ci/g) and a plutonium mixed-oxide aerosol (PU-MOX, natural UO2 plus PuO2, 0.02 Ci/g) formed during industrial centerless grinding of mixed-oxide reactor fuel pellets. Plutonium-238 dioxide particles produced in the laboratory exhibited a small net positive charge within a few minutes after passing through a 85Kr discharger due to alpha particle emission removal of valence electrons. PU-MOX aerosols produced during centerless grinding showed a charge distribution essentially in Boltzmann equilibrium. The gross alpha aerosol concentrations (960-1200 nCi/l) within the glove box were sufficient to provide high ion concentrations capable of discharging the charge induced by mechanical and/or nuclear decay processes

  4. Comparing the Device Physics and Morphology of Polymer Solar Cells Employing Fullerenes and Non-Fullerene Acceptors

    KAUST Repository

    Bloking, Jason T.

    2014-04-23

    There is a need to find electron acceptors for organic photovoltaics that are not based on fullerene derivatives since fullerenes have a small band gap that limits the open-circuit voltage (VOC), do not absorb strongly and are expensive. Here, a phenylimide-based acceptor molecule, 4,7-bis(4-(N-hexyl-phthalimide)vinyl)benzo[c]1,2,5-thiadiazole (HPI-BT), that can be used to make solar cells with VOC values up to 1.11 V and power conversion efficiencies up to 3.7% with two thiophene polymers is demonstrated. An internal quantum efficiency of 56%, compared to 75-90% for polymer-fullerene devices, results from less efficient separation of geminate charge pairs. While favorable energetic offsets in the polymer-fullerene devices due to the formation of a disordered mixed phase are thought to improve charge separation, the low miscibility (<5 wt%) of HPI-BT in polymers is hypothesized to prevent the mixed phase and energetic offsets from forming, thus reducing the driving force for charges to separate into the pure donor and acceptor phases where they can be collected. A small molecule electron acceptor, 4,7-bis(4-(N-hexyl-phthalimide)vinyl)benzo[c]1,2,5-thiadiazole (HPI-BT), achieves efficiencies of 3.7% and open-circuit voltage values of 1.11 V in bulk heterojunction (BHJ) devices with polythiophene donor materials. The lower internal quantum efficiency (56%) in these non-fullerene acceptor devices is attributed to an absence of the favorable energetic offsets resulting from nanoscale mixing of donor and acceptor found in comparable fullerene-based devices. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Plasma-Chemical Synthesis of Nanosized Powders-Nitrides, Carbides, Oxides, Carbon Nanotubes and Fullerenes

    Institute of Scientific and Technical Information of China (English)

    Katerina ZAHARIEVA; Gheorghi VISSOKOV; Janis GRABIS; Slavcho RAKOVSKY

    2012-01-01

    In this article the plasma-chemical synthesis of nanosized powders (nitrides, car- bides, oxides, carbon nanotubes and fullerenes) is reviewed. Nanosized powders - nitrides, carbides, oxides, carbon nanotubes and fullerenes have been successfully produced using different techniques, technological apparatuses and conditions for their plasma-chemical synthesis.

  6. Spectroscopic investigation of new fullerene based acceptors for organic solar cells; Spektroskopische Untersuchung neuartiger Fullerenakzeptoren fuer organische Solarzellen

    Energy Technology Data Exchange (ETDEWEB)

    Liedte, Moritz Nils

    2012-04-27

    high open circuit voltage of 835 mV in the devices produced, but also a rather low current density. I tried to understand the processes in the charge carrier generation and extraction process causing this. Using several measurement techniques, combined with general knowledge about comparable endohedral fullerenes from the literature, I was able to identify an internal charge transfer of electrons from the lutetium atoms encaged in the C{sub 80} to the fullerene bulk as origin The results presented in this work give further indications for the advantages of using C{sub 70} based fullerene acceptors in organic solar cells to raise the total power conversion efficiencies of these devices, despite the higher production costs. The identification of anion signatures of different fullerenes show an additional method to monitor the excitation processes by optical spectroscopy in bulk-heterojunction devices. My research regarding the Lu{sub 3}N rate at C{sub 80} molecule showed a general effect regarding this class of molecules, that will be important for any further synthesizes or application of such molecules in organic photovoltaics. While the projects regarding the dimer acceptors and the Lu{sub 3}N rate at C{sub 80} molecule were completed in this work, the analysis of spectroscopic anion signatures left some open questions, especially for large fullerenes. Further investigations using spin sensitive or time resolved techniques, as available in our research group, could be useful to gather more detailed information on this topic. Also trying to get some PC{sub 81}BM for photoinduced absorption measurements, alone and in blend with several polymers, might be another way to energetically pinpoint the anion signature on C{sub 80}.

  7. Adverse effects of fullerenes (nC{sub 60}) spiked to sediments on Lumbriculus variegatus (Oligochaeta)

    Energy Technology Data Exchange (ETDEWEB)

    Pakarinen, K., E-mail: kukka.tervonen@uef.fi [Department of Biology, University of Eastern Finland, 80101 Joensuu (Finland); Petersen, E.J. [Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD (United States); Leppaenen, M.T.; Akkanen, J.; Kukkonen, J.V.K. [Department of Biology, University of Eastern Finland, 80101 Joensuu (Finland)

    2011-12-15

    Effects of fullerene-spiked sediment on a benthic organism, Lumbriculus variegatus (Oligochaeta), were investigated. Survival, growth, reproduction, and feeding rates were measured to assess possible adverse effects of fullerene agglomerates produced by water stirring and then spiked to a natural sediment. L. variegatus were exposed to 10 and 50 mg fullerenes/kg sediment dry mass for 28 d. These concentrations did not impact worm survival or reproduction compared to the control. Feeding activities were slightly decreased for both concentrations indicating fullerenes' disruptive effect on feeding. Depuration efficiency decreased in the high concentration only. Electron and light microscopy and extraction of the worm fecal pellets revealed fullerene agglomerates in the gut tract but not absorption into gut epithelial cells. Micrographs also indicated that 16% of the epidermal cuticle fibers of the worms were not present in the 50 mg/kg exposures, which may make worms susceptible to other contaminants. - Highlights: > Effects of fullerene-spiked sediment on black worms were investigated. > Survival, growth, reproduction, and feeding rates were measured. > Exposure did not impact worm survival or reproduction. > Feeding rates and depuration efficiency were decreased. > Worms transferred fullerenes from the sediment to the sediment surface. - Exposure to fullerene-spiked sediment decreased black worms' feeding and depuration efficiency, but fullerenes did not appear to be absorbed into the microvilli.

  8. Cooperative Tin Oxide Fullerene Electron Selective Layers for High-Performance Planar Perovskite Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Ke, Weijun; Zhao, Dewei; Xiao, Chuanxiao; Wang, Changlei; Cimaroli, Alexander J.; Grice, Corey R.; Yang, Mengjin; Li, Zhen; Jiang, Chun-Sheng; Al-Jassim, Mowafak; Zhu, Kai; Kanatzidis, Mercouri G.; Fang, Guojia; Yan, Yanfa

    2016-10-07

    Both tin oxide (SnO2) and fullerenes have been reported as electron selective layers (ESLs) for producing efficient lead halide perovskite solar cells. Here, we report that SnO2 and fullerenes can work cooperatively to further boost the performance of perovskite solar cells. We find that fullerenes can be redissolved during perovskite deposition, allowing ultra-thin fullerenes to be retained at the interface and some dissolved fullerenes infiltrate into perovskite grain boundaries. The SnO2 layer blocks holes effectively; whereas, the fullerenes promote electron transfer and passivate both the SnO2/perovskite interface and perovskite grain boundaries. With careful device optimization, the best-performing planar perovskite solar cell using a fullerene passivated SnO2 ESL has achieved a steady-state efficiency of 17.75% and a power conversion efficiency of 19.12% with an open circuit voltage of 1.12 V, a short-circuit current density of 22.61 mA cm-2, and a fill factor of 75.8% when measured under reverse voltage scanning. We find that the partial dissolving of fullerenes during perovskite deposition is the key for fabricating high-performance perovskite solar cells based on metal oxide/fullerene ESLs.

  9. Chemical bonding and electronic structure of fullerene-based compounds

    International Nuclear Information System (INIS)

    This talk will focus on the nature of bonding of fullerenes with other materials as demonstrated by synchrotron radiation and x-ray photoemission. Adsorption of C60 on metallic and semiconducting substrates occurs via charge transfer from the substrate to a LUMO-derived resonance, resulting in Fermi level alignment and dipole formation. Bonding of metal atoms to C60 depends on the metal work function and bulk cohesive energy. Evaporation of high cohesive energy materials onto a fullerene substrate results in metal cluster nucleation and limited C60 disruption for transition metals. Low cohesive energy metals form compounds with a degree of ionic character related to the metal work function. Photoemission results show the formation of ionic K-fulleride compounds while greater hybridization is observed for Ca-rich fullerides. Finally the electronic structure of fluorinated and hydrogenated fullerenes demonstrate changes in states derived from C60 π bonds due to reaction of dangling bonds

  10. Nonlinear photonics of fullerene solutions

    OpenAIRE

    Sheka, E. F.; RAZBIRIN B.S.; STARUKHIN A.N.; NELSON D.K.; Degunov, M. Yu.; Lyubovskaya, R.N.; Troshin, P. A.; Kamanina, N. V.

    2009-01-01

    Newly observed enhanced linear optical features of fullerene solutions (Raman scattering and one-photon luminescence) are due to clusterization of fullerene molecules themselves as well as their composites with solvent molecules. A direct connection between the enhanced linear effects and nonlinear behavior of the solutions is discussed and empirical and computational tests of the solutions nonlinear optics efficacy are suggested.

  11. Free Carrier Generation in Fullerene Acceptors and Its Effect on Polymer Photovoltaics

    KAUST Repository

    Burkhard, George F.

    2012-12-20

    Early research on C60 led to the discovery that the absorption of photons with energy greater than 2.35 eV by bulk C60 produces free charge carriers at room temperature. We find that not only is this also true for many of the soluble fullerene derivatives commonly used in organic photovoltaics, but also that the presence of these free carriers has significant implications for the modeling, characterization, and performance of devices made with these materials. We demonstrate that the discrepancy between absorption and quantum efficiency spectra in P3HT:PCBM is due to recombination of such free carriers in large PCBM domains before they can be separated at a donor/acceptor interface. Since most theories assume that all free charges result from the separation of excitons at a donor/acceptor interface, the presence of free carrier generation in fullerenes can have a significant impact on the interpretation of data generated by numerous field-dependent techniques. © 2012 American Chemical Society.

  12. Similarity and a Duality for Fullerenes

    OpenAIRE

    Jennifer J. Edmond; Graver, Jack E.

    2015-01-01

    Fullerenes are molecules of carbon that are modeled by trivalent plane graphs with only pentagonal and hexagonal faces. Scaling up a fullerene gives a notion of similarity, and fullerenes are partitioned into similarity classes. In this expository article, we illustrate how the values of two important fullerene parameters can be deduced for all fullerenes in a similarity class by computing the values of these parameters for just the three smallest representatives of that class. In addition, i...

  13. Laboratory simulation of charge exchange-produced X-ray emission from comets.

    Science.gov (United States)

    Beiersdorfer, P; Boyce, K R; Brown, G V; Chen, H; Kahn, S M; Kelley, R L; May, M; Olson, R E; Porter, F S; Stahle, C K; Tillotson, W A

    2003-06-01

    In laboratory experiments using the engineering spare microcalorimeter detector from the ASTRO-E satellite mission, we recorded the x-ray emission of highly charged ions of carbon, nitrogen, and oxygen, which simulates charge exchange reactions between heavy ions in the solar wind and neutral gases in cometary comae. The spectra are complex and do not readily match predictions. We developed a charge exchange emission model that successfully reproduces the soft x-ray spectrum of comet Linear C/1999 S4, observed with the Chandra X-ray Observatory.

  14. Charge distribution of Kr ions produced upon photoionization around the 2s edge

    Energy Technology Data Exchange (ETDEWEB)

    Santos, A.C.F., E-mail: toni@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21991-972 (Brazil); Pilling, S. [Laboratório Nacional de Luz Síncroton, Campinas 13084-971 (Brazil); Almeida, D.P. [Departamento de Física, Universidade Federal de Santa Catarina, Florianópolis 88040-979 (Brazil)

    2015-08-15

    Highlights: • Charge spectra of Kr after photoionization of the L shell have been measured. • Multiple photoionization of krypton around the 2s edge is a collective process. • Electron correlation plays an important role in multiple ionization of heavy atoms. - Abstract: Charge state spectra of krypton ions generated after ionization (by a single photon) of the L shell have been measured by using the PEPICO technique. Relative abundances of Kr{sup q+} ions in charge state up to 8+ were obtained using monochromatized synchrotron radiation. A comparison with other experimental and theoretical data is presented.

  15. Laboratory simulation of charge exchange-produced X-ray emission from comets.

    Science.gov (United States)

    Beiersdorfer, P; Boyce, K R; Brown, G V; Chen, H; Kahn, S M; Kelley, R L; May, M; Olson, R E; Porter, F S; Stahle, C K; Tillotson, W A

    2003-06-01

    In laboratory experiments using the engineering spare microcalorimeter detector from the ASTRO-E satellite mission, we recorded the x-ray emission of highly charged ions of carbon, nitrogen, and oxygen, which simulates charge exchange reactions between heavy ions in the solar wind and neutral gases in cometary comae. The spectra are complex and do not readily match predictions. We developed a charge exchange emission model that successfully reproduces the soft x-ray spectrum of comet Linear C/1999 S4, observed with the Chandra X-ray Observatory. PMID:12791989

  16. Se-atom incorporation in fullerene and the MD simulation

    International Nuclear Information System (INIS)

    The formation of Se atom-incorporated fullerenes has been investigated by using radionuclides produced by nuclear reactions. From the trace of radioactivities of 75Se after High Performance Liquid Chromatography (HPLC), it was found that the formation of endohedral fullerenes or hetrofullerenes is possible by a recoil process following the nuclear reaction. To confirm the produced materials, ab initio molecular-dynamics simulations based on an all-electron mixed-basis approach were carried out. We found that the insertion of Se atom into C60 cage is much easier than that of As and Ge atoms. (author)

  17. Metal-organic charge transfer can produce biradical states and is mediated by conical intersections

    OpenAIRE

    Tishchenko, Oksana; Li, Ruifang; Truhlar, Donald G.

    2010-01-01

    The present paper illustrates key features of charge transfer between calcium atoms and prototype conjugated hydrocarbons (ethylene, benzene, and coronene) as elucidated by electronic structure calculations. One- and two-electron charge transfer is controlled by two sequential conical intersections. The two lowest electronic states that undergo a conical intersection have closed-shell and open-shell dominant configurations correlating with the 4s2 and 4s13d1 states of Ca, respectively. Unlike...

  18. A New Technique for Diagnosing Multi-charged Ion Beams Produced by ECR Ion Source

    Institute of Scientific and Technical Information of China (English)

    ZhangZimin; ZhaoHongwei; CaoYun; MaLei; MaBaohua; LiJinyu; WangHui; FengYucheng; DuJunfeng

    2003-01-01

    In order to study the transmission properties of multi-charged ion beams between the ECR ion source and the analyzing magnet, a new diagnostic system composed of three Wien-filters with three single-wires has been built and installed on the IMP ECR source test bcnch. The single-wire is used to measure the beam profile and the beam density distribution, and the Wien-filter is used to measure the charge state distribution of ion beam.

  19. Doped golden fullerene cages

    OpenAIRE

    Baletto, Francesca; Ferrando, Riccardo

    2015-01-01

    A first-principles investigation of the effect of the doping of golden cages of 32 atoms is proposed. It is shown that Ag and Cu doping affects the geometrical stability of the icosahedral fullerene Au-32 cage, where Ag-doping leads to a new, low symmetric, and prolate motif while Cu-doping leads to a lump, incomplete decahedral shape. Most significantly, the HOMO-LUMO gap depends strongly on the cluster geometry while its dependence on the cluster chemical composition seems to be weaker.

  20. Importance of the donor:fullerene intermolecular arrangement for high-efficiency organic photovoltaics.

    Science.gov (United States)

    Graham, Kenneth R; Cabanetos, Clement; Jahnke, Justin P; Idso, Matthew N; El Labban, Abdulrahman; Ngongang Ndjawa, Guy O; Heumueller, Thomas; Vandewal, Koen; Salleo, Alberto; Chmelka, Bradley F; Amassian, Aram; Beaujuge, Pierre M; McGehee, Michael D

    2014-07-01

    The performance of organic photovoltaic (OPV) material systems are hypothesized to depend strongly on the intermolecular arrangements at the donor:fullerene interfaces. A review of some of the most efficient polymers utilized in polymer:fullerene PV devices, combined with an analysis of reported polymer donor materials wherein the same conjugated backbone was used with varying alkyl substituents, supports this hypothesis. Specifically, the literature shows that higher-performing donor-acceptor type polymers generally have acceptor moieties that are sterically accessible for interactions with the fullerene derivative, whereas the corresponding donor moieties tend to have branched alkyl substituents that sterically hinder interactions with the fullerene. To further explore the idea that the most beneficial polymer:fullerene arrangement involves the fullerene docking with the acceptor moiety, a family of benzo[1,2-b:4,5-b']dithiophene-thieno[3,4-c]pyrrole-4,6-dione polymers (PBDTTPD derivatives) was synthesized and tested in a variety of PV device types with vastly different aggregation states of the polymer. In agreement with our hypothesis, the PBDTTPD derivative with a more sterically accessible acceptor moiety and a more sterically hindered donor moiety shows the highest performance in bulk-heterojunction, bilayer, and low-polymer concentration PV devices where fullerene derivatives serve as the electron-accepting materials. Furthermore, external quantum efficiency measurements of the charge-transfer state and solid-state two-dimensional (2D) (13)C{(1)H} heteronuclear correlation (HETCOR) NMR analyses support that a specific polymer:fullerene arrangement is present for the highest performing PBDTTPD derivative, in which the fullerene is in closer proximity to the acceptor moiety of the polymer. This work demonstrates that the polymer:fullerene arrangement and resulting intermolecular interactions may be key factors in determining the performance of OPV material

  1. Importance of the Donor:Fullerene intermolecular arrangement for high-efficiency organic photovoltaics

    KAUST Repository

    Graham, Kenneth

    2014-07-09

    The performance of organic photovoltaic (OPV) material systems are hypothesized to depend strongly on the intermolecular arrangements at the donor:fullerene interfaces. A review of some of the most efficient polymers utilized in polymer:fullerene PV devices, combined with an analysis of reported polymer donor materials wherein the same conjugated backbone was used with varying alkyl substituents, supports this hypothesis. Specifically, the literature shows that higher-performing donor-acceptor type polymers generally have acceptor moieties that are sterically accessible for interactions with the fullerene derivative, whereas the corresponding donor moieties tend to have branched alkyl substituents that sterically hinder interactions with the fullerene. To further explore the idea that the most beneficial polymer:fullerene arrangement involves the fullerene docking with the acceptor moiety, a family of benzo[1,2-b:4,5-b]dithiophene-thieno[3,4-c]pyrrole-4,6-dione polymers (PBDTTPD derivatives) was synthesized and tested in a variety of PV device types with vastly different aggregation states of the polymer. In agreement with our hypothesis, the PBDTTPD derivative with a more sterically accessible acceptor moiety and a more sterically hindered donor moiety shows the highest performance in bulk-heterojunction, bilayer, and low-polymer concentration PV devices where fullerene derivatives serve as the electron-accepting materials. Furthermore, external quantum efficiency measurements of the charge-transfer state and solid-state two-dimensional (2D) 13C{1H} heteronuclear correlation (HETCOR) NMR analyses support that a specific polymer:fullerene arrangement is present for the highest performing PBDTTPD derivative, in which the fullerene is in closer proximity to the acceptor moiety of the polymer. This work demonstrates that the polymer:fullerene arrangement and resulting intermolecular interactions may be key factors in determining the performance of OPV material systems

  2. Fullerenes: from carbon to nanomedicine.

    Science.gov (United States)

    Chawla, Pooja; Chawla, Viney; Maheshwari, Radhika; Saraf, Shubhini A; Saraf, Shailendra K

    2010-07-01

    Fullerenes, the third carbon allotrope, have emerged as agents which could revolutionize the treatment of many diseases. Fullerenes possess different biological applications like neuroprotective agents, antioxidants, anti-HIV activity, enzyme inhibition, antiapoptotic activity and the list is ever increasing. Moreover, they are being utilized as drug carrier systems and also for many non-biological applications like superconductors, catalysis and so on. Their size has made them promising agents for nanotechnology. This article aims at outlining the chemistry, properties and non-biological applications of fullerenes and their evolution to biological applications, thereby traversing their evolution from simple carbon allotropes to present day nano-medicinal agents. PMID:20236059

  3. Metal Evaporation-Induced Degradation of Fullerene Acceptors in Polymer/Fullerene Solar Cells.

    Science.gov (United States)

    Huang, Wenchao; Gann, Eliot; Thomsen, Lars; Tadich, Anton; Cheng, Yi-Bing; McNeill, Christopher R

    2016-01-27

    Surface-sensitive NEXAFS spectroscopy is used to probe the interaction between low work function metal electrodes and fullerene derivatives in organic solar cells. Evaporation of either Ca or Al electrodes onto films of the fullerene derivatives (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) and indene-C60 bisadduct (ICBA) leads to a dramatic change in the observed NEXAFS spectrum. The observed changes cannot be explained only in terms of interfacial electronic doping or charge transfer, but rather point to the formation of new chemical bonds that destroy the extensive electron delocalization on the C60 cage. A combination of ex situ and in situ ultrahigh vacuum measurements indicates that metal evaporation results in a change in the electronic structure of PCBM that then facilitates chemical degradation and oxidation in the presence of oxygen. To investigate the effect of this chemical interaction on device performance, a unique transfer method to laminate the Al electrode to the top of polymer blend is used, in which case, the chemical degradation of the fullerene is not observed. Device performance of P3HT/PCBM blend solar cells in which the top metal electrode has either been thermally evaporated or transferred is then compared. These results highlight that chemical, as well as electronic, interactions between metals and organic semiconductors must be considered.

  4. Charge-changing reactions of secondary fragments produced in high-energy heavy ion collisions

    International Nuclear Information System (INIS)

    The authors have begun a program to measure charge changing cross sections of projectile fragments using a quite different technique that is capable of much higher data acquisition rates. The primary beam impinges on a stack of 50 Lucite strips having an average thickness of 3.17 mm, emitting Cerenkov light as its passes through them. Since at a given velocity the intensity of light is proportional to Z2, where Z is the charge of the particle, a fragmentation reaction in a particular strip will be registered as a drop in the light output from that and subsequent strips. The authors use total internal reflection to transport the light to photomultiplier tubes so that there is no wrapping between the strips. Since the energy threshold of the device is approx.1.1 GeV/nucleon, low energy target fragments will not contribute to the signal, a distinct advantage over similar schemes using energy loss to measure the fragment charge. The resolution of the individual strips is typically 0.58 charge units, full width at half maximum, allowing reactions to be well localized even for single unit charge changes. In addition to the C detectors, scintillators and Si(Li) detectors were used to measure precisely the position and charge of the incoming beam particle. The authors have taken data using two beams, 56Fe and 40Ar, at 1.88 and 1.82 GeV/nucleon respectively, and two trigger modes, a free trigger to measure the reaction rate of the incoming beam and an inelastic trigger in which a reaction was required to occur in one of the first 14 C detectors. A total of 909,000 56Fe interactions and 460,000 40Ar interactions have been analyzed so far

  5. Superconducting Fullerene Nanowhiskers

    Directory of Open Access Journals (Sweden)

    Yoshihiko Takano

    2012-04-01

    Full Text Available We synthesized superconducting fullerene nanowhiskers (C60NWs by potassium (K intercalation. They showed large superconducting volume fractions, as high as 80%. The superconducting transition temperature at 17 K was independent of the K content (x in the range between 1.6 and 6.0 in K-doped C60 nanowhiskers (KxC60NWs, while the superconducting volume fractions changed with x. The highest shielding fraction of a full shielding volume was observed in the material of K3.3C60NW by heating at 200 °C. On the other hand, that of a K-doped fullerene (K-C60 crystal was less than 1%. We report the superconducting behaviors of our newly synthesized KxC60NWs in comparison to those of KxC60 crystals, which show superconductivity at 19 K in K3C60. The lattice structures are also discussed, based on the x-ray diffraction (XRD analyses.

  6. Hollow Gold Cages and Their Topological Relationship to Dual Fullerenes.

    Science.gov (United States)

    Trombach, Lukas; Rampino, Sergio; Wang, Lai-Sheng; Schwerdtfeger, Peter

    2016-06-20

    Golden fullerenes have recently been identified by photoelectron spectra by Bulusu et al. [S. Bulusu, X. Li, L.-S. Wang, X. C. Zeng, PNAS 2006, 103, 8326-8330]. These unique triangulations of a sphere are related to fullerene duals having exactly 12 vertices of degree five, and the icosahedral hollow gold cages previously postulated are related to the Goldberg-Coxeter transforms of C20 starting from a triangulated surface (hexagonal lattice, dual of a graphene sheet). This also relates topologically the (chiral) gold nanowires observed to the (chiral) carbon nanotubes. In fact, the Mackay icosahedra well known in gold cluster chemistry are related topologically to the dual halma transforms of the smallest possible fullerene C20 . The basic building block here is the (111) fcc sheet of bulk gold which is dual to graphene. Because of this interesting one-to-one relationship through Euler's polyhedral formula, there are as many golden fullerene isomers as there are fullerene isomers, with the number of isomers Niso increasing polynomially as O(Niso9 ). For the recently observed Au16- , Au17- , and Au18- we present simulated photoelectron spectra including all isomers. We also predict the photoelectron spectrum of Au32- . The stability of the golden fullerenes is discussed in relation with the more compact structures for the neutral and negatively charged Au12 to Au20 and Au32 clusters. As for the compact gold clusters we observe a clear trend in stability of the hollow gold cages towards the (111) fcc sheet. The high stability of the (111) fcc sheet of gold compared to the bulk 3D structure explains the unusual stability of these hollow gold cages. PMID:27244703

  7. Testing for fullerenes in geologic materials: Oklo carbonaceous substances, Karelian shungites, Sudbury Black Tuff

    Science.gov (United States)

    Mossman, David; Eigendorf, Guenter; Tokaryk, Dennis; Gauthier-Lafaye, François; Guckert, Kristal D.; Melezhik, Victor; Farrow, Catharine E. G.

    2003-03-01

    Fullerenes have been reported from diverse geologic environments since their discovery in shungite from Karelian Russia. Our investigation is prompted by the presence of onionskin-like structures in some carbonaceous substances associated with the fossil nuclear fission reactors of Oklo, Gabon. The same series of extractions and the same instrumental techniques, laser desorption ionization and high-resolution mass spectroscopy (electron-impact mass spectroscopy), were employed to test for fullerenes in samples from three different localities: two sites containing putative fullerenes (Sudbury Basin and Russian Karelia) and one new location (Oklo, Gabon). We confirm the presence of fullerenes (C60 and C70) in the Black Tuff of the Onaping Formation impact breccia in the Sudbury Basin, but we find no evidence of fullerenes in shungite samples from various locations in Russian Karelia. Analysis of carbonaceous substances associated with the natural nuclear fission reactors of Oklo yields no definitive signals for fullerenes. If fullerenes were produced during sustained nuclear fission at Oklo, then they are present below the detection limit (˜100 fmol), or they have destabilized since formation. Contrary to some expectations, geologic occurrences of fullerenes are not commonplace.

  8. Functionalization of pentagon-pentagon edges of fullerenes by cyclic polysulfides: A DFT study

    Science.gov (United States)

    Anafcheh, Maryam; Khodadadi, Zahra; Ektefa, Fatemeh; Ghafouri, Reza

    2016-05-01

    We have performed a computational study to investigate the cyclosulfurization of the pentagon-pentagon (p-p) junctions in the non-IPR fullerenes C60(D3) and C70(C2v), and also Stone-Wales defective C60 fullerene. Our results indicate the exothermic character of cyclosulfurization processes which can be related to the increase of pyramidalization angle (spherical excesses) and p characters of natural hybrid orbitals of C atoms at the p-p junctions. In fact these lead to the structural strain relief and stability of the cyclosulfurization derivatives of the non-IPR fullerenes. Moreover, the cyclosulfurization reaction of p-p bonds on the C70(C2v) is more energetically favorable than that of C60(D3), due to the higher curvature of carbon sites and the larger values of the p characters of natural hybrid orbitals in the C70(C2v). On the other hand, localization of the excess electrons on the C atoms at the p-p junctions leads to the low tendency of the charged non-IPR fullerenes to cyclosulfurization process. The desulfurization pathway of the exohedral derivatives of C70(C2v) indicates that it is energetically unfavorable for the functionalized fullerenes to break into individual fullerene and sulfur molecules. HOMO-LUMO gaps almost are independent of the number of pentathiepin rings while sensitive to the type of parent fullerene.

  9. 30 years of cosmic fullerenes

    CERN Document Server

    Berne, O; Mulas, G; Joblin, C

    2015-01-01

    In 1985, "During experiments aimed at understanding the mechanisms by which long-chain carbon molecules are formed in interstellar space and circumstellar shells", Harry Kroto and his collaborators serendipitously discovered a new form of carbon: fullerenes. The most emblematic fullerene (i.e. C$_{60}$ "buckminsterfullerene"), contains exactly 60 carbon atoms organized in a cage-like structure similar to a soccer ball. Since their discovery impacted the field of nanotechnologies, Kroto and colleagues received the Nobel prize in 1996. The cage-like structure, common to all fullerene molecules, gives them unique properties, in particular an extraordinary stability. For this reason and since they were discovered in experiments aimed to reproduce conditions in space, fullerenes were sought after by astronomers for over two decades, and it is only recently that they have been firmly identified by spectroscopy, in evolved stars and in the interstellar medium. This identification offers the opportunity to study the ...

  10. A New Battery Energy Storage Charging/Discharging Scheme for Wind Power Producers in Real-Time Markets

    OpenAIRE

    Minh Y Nguyen; Dinh Hung Nguyen; Yong Tae Yoon

    2012-01-01

    Under a deregulated environment, wind power producers are subject to many regulation costs due to the intermittence of natural resources and the accuracy limits of existing prediction tools. This paper addresses the operation (charging/discharging) problem of battery energy storage installed in a wind generation system in order to improve the value of wind power in the real-time market. Depending on the prediction of market prices and the probabilistic information of wind generation, wind pow...

  11. A bench arc-furnace facility for fullerene and single-wall nanotubes synthesis

    Directory of Open Access Journals (Sweden)

    Huber John G

    2001-01-01

    Full Text Available A metallic-sample arc-furnace was modified to synthesize fullerenes and nanotubes. The (reversible changes and the process for producing single-wall nanotubes (SWNTs are described.

  12. Characteristics of transitory multi-charged molecular ions produced by an intense femtosecond laser impulse

    International Nuclear Information System (INIS)

    The study of the molecular multi-ionization is narrowly linked to the dynamics of excitation and fragmentation for which the experimental observables rest on the characteristics of the fragmentation products, these characteristics are: intern energy, kinetic energy and charge states. The first chapter sets the problem. The second chapter presents the experimental tools used and developed in this work, the technologies of the detection of ions or of fluorescence are also described. The chapter 3 gathers the theoretical aspects: quantum chemistry and CASSCF (complete active space self consistent field) methods have been used to compute the potential energy curves of multi-charged ions, the two-dimensional hydrodynamic model derived from the Thomas-Fermi model is introduced to tackle the molecular re-orientation. The chapter 4 presents the experimental study of highly excited states by using fluorescence detection methods. The chapter 5 is dedicated to the study of low excited states by measuring kinetic energy spectra and by comparison with potential energy curves of molecular multi-charged ions. The chapter 6 presents experiments with 2 impulses and the results given by the Thomas-Fermi model applied to the re-orientation of the N2O molecule. (A.C.)

  13. Deposition of LiF onto Films of Fullerene Derivatives Leads to Bulk Doping.

    Science.gov (United States)

    Torabi, Solmaz; Liu, Jian; Gordiichuk, Pavlo; Herrmann, Andreas; Qiu, Li; Jahani, Fatemeh; Hummelen, Jan C; Koster, L Jan Anton

    2016-08-31

    One of the most commonly used cathode interlayers for increasing the efficiency of electron injection/extraction in organic electronic devices is an ultrathin layer of LiF. Our capacitance measurements and electrical conductivity analysis show that thin films of fullerene derivatives and their mixtures with polymers are unintentionally doped upon deposition of LiF. The level of doping depends on the chemical structure of the fullerene derivatives. The doping effect on polymer/fullerene mixtures is significant only for blends in which the fullerene content is greater than the polymer content by weight. Our finding has profound implications for the development and characterization of organic photovoltaic devices, including a negative impact of doping on the stability of the device and erroneous estimations of properties such as charge carrier mobility and the dielectric constant. PMID:27526262

  14. Synthesis and photophysical properties of polyamides containing in-chain porphyrin and [60]fullerene

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Haiying; Chen Chen; Zhu Yizhou; Shi Mingzhu; Zheng Jianyu, E-mail: jyzheng@nankai.edu.cn [Nankai University, State Key Laboratory and Institute of Elemento-Organic Chemistry (China)

    2012-03-15

    Conjugated polyamides containing porphyrin and [60]fullerene (C{sub 60}) in the main chain were prepared by a direct polycondensation of the 3 Prime H,3 Double-Prime H-dicyclopropa[1, 9:16, 17; 5, 6]fullerene-C{sub 60}-I{sub h}-3 Prime ,3 Double-Prime -dicarboxylic acid and 5,15-bis(4-aminophenyl)-10,20-bis(3,5-dialkoxyphenyl)porphyrin in the presence of triphenyl phosphite and pyridine. Gel permeation chromatography (GPC) analysis of the polyamides showed the weight-average molecular weight was about 23,626-23,736, and the temperature at 5% weight loss determined by thermogravimetric analysis (TGA) was above 216 Degree-Sign C. The transmission electron microscopy (TEM) images displayed the regular one-dimensional linear arrays of the polyamides with lengths exceeded 200 nm. The photoinduced electron transfer from porphyrin to C{sub 60} in the polyamides was observed in nanosecond laser-flash photolysis experiments at ambient temperature, which produced a charge-separated state (porphyrin radical cation-C{sub 60} radical anion pair) with a lifetime as long as 40 {mu}s. The calculated ratio of k{sub CS}/k{sub CR} was found to be 2.1 Multiplication-Sign 10{sup 4}. They could have potential applications for photoelectronic devices, organic solar cells and so on.

  15. Similarity and a Duality for Fullerenes

    Directory of Open Access Journals (Sweden)

    Jennifer J. Edmond

    2015-11-01

    Full Text Available Fullerenes are molecules of carbon that are modeled by trivalent plane graphs with only pentagonal and hexagonal faces. Scaling up a fullerene gives a notion of similarity, and fullerenes are partitioned into similarity classes. In this expository article, we illustrate how the values of two important fullerene parameters can be deduced for all fullerenes in a similarity class by computing the values of these parameters for just the three smallest representatives of that class. In addition, it turns out that there is a natural duality theory for similarity classes of fullerenes based on one of the most important fullerene construction techniques: leapfrog construction. The literature on fullerenes is very extensive, and since this is a general interest journal, we will summarize and illustrate the fundamental results that we will need to develop similarity and this duality.

  16. Fullerene-Based Symmetry in Hibiscus rosa-sinensis Pollen

    Science.gov (United States)

    Andrade, Kleber; Guerra, Sara; Debut, Alexis

    2014-01-01

    The fullerene molecule belongs to the so-called super materials. The compound is interesting due to its spherical configuration where atoms occupy positions forming a mechanically stable structure. We first demonstrate that pollen of Hibiscus rosa-sinensis has a strong symmetry regarding the distribution of its spines over the spherical grain. These spines form spherical hexagons and pentagons. The distance between atoms in fullerene is explained applying principles of flat, spherical, and spatial geometry, based on Euclid’s “Elements” book, as well as logic algorithms. Measurements of the pollen grain take into account that the true spine lengths, and consequently the real distances between them, are measured to the periphery of each grain. Algorithms are developed to recover the spatial effects lost in 2D photos. There is a clear correspondence between the position of atoms in the fullerene molecule and the position of spines in the pollen grain. In the fullerene the separation gives the idea of equal length bonds which implies perfectly distributed electron clouds while in the pollen grain we suggest that the spines being equally spaced carry an electrical charge originating in forces involved in the pollination process. PMID:25003375

  17. Fullerene-based symmetry in Hibiscus rosa-sinensis pollen.

    Directory of Open Access Journals (Sweden)

    Kleber Andrade

    Full Text Available The fullerene molecule belongs to the so-called super materials. The compound is interesting due to its spherical configuration where atoms occupy positions forming a mechanically stable structure. We first demonstrate that pollen of Hibiscus rosa-sinensis has a strong symmetry regarding the distribution of its spines over the spherical grain. These spines form spherical hexagons and pentagons. The distance between atoms in fullerene is explained applying principles of flat, spherical, and spatial geometry, based on Euclid's "Elements" book, as well as logic algorithms. Measurements of the pollen grain take into account that the true spine lengths, and consequently the real distances between them, are measured to the periphery of each grain. Algorithms are developed to recover the spatial effects lost in 2D photos. There is a clear correspondence between the position of atoms in the fullerene molecule and the position of spines in the pollen grain. In the fullerene the separation gives the idea of equal length bonds which implies perfectly distributed electron clouds while in the pollen grain we suggest that the spines being equally spaced carry an electrical charge originating in forces involved in the pollination process.

  18. Beam energy dependence of pseudorapidity distributions of charged particles produced in relativistic heavy-ion collisions

    Science.gov (United States)

    Basu, Sumit; Nayak, Tapan K.; Datta, Kaustuv

    2016-06-01

    Heavy-ion collisions at the Relativistic Heavy Ion Collider at Brookhaven National Laboratory and the Large Hadron Collider at CERN probe matter at extreme conditions of temperature and energy density. Most of the global properties of the collisions can be extracted from the measurements of charged-particle multiplicity and pseudorapidity (η ) distributions. We have shown that the available experimental data on beam energy and centrality dependence of η distributions in heavy-ion (Au +Au or Pb +Pb ) collisions from √{sNN}=7.7 GeV to 2.76 TeV are reasonably well described by the AMPT model, which is used for further exploration. The nature of the η distributions has been described by a double Gaussian function using a set of fit parameters, which exhibit a regular pattern as a function of beam energy. By extrapolating the parameters to a higher energy of √{sNN}=5.02 TeV, we have obtained the charged-particle multiplicity densities, η distributions, and energy densities for various centralities. Incidentally, these results match well with some of the recently published data by the ALICE Collaboration.

  19. cDICE method produces giant lipid vesicles under physiological conditions of charged lipids and ionic solutions.

    Science.gov (United States)

    Blosser, Matthew C; Horst, Benjamin G; Keller, Sarah L

    2016-09-21

    Giant unilamellar vesicles are a powerful and common tool employed in biophysical studies of lipid membranes. Here we evaluate a recently introduced method of vesicle formation, "continuous droplet interface crossing encapsulation" (cDICE). This method produces monodisperse giant unilamellar vesicles of controlled sizes and high encapsulation efficiencies, using readily available instrumentation. We find that mixtures of phospholipids within vesicle membranes produced by cDICE undergo phase separation at the same characteristic temperatures as lipids in vesicles formed by a complementary technique. We find that the cDICE method is effective both when vesicles are produced from charged lipids and when the surrounding buffer contains a high concentration of salt. A shortcoming of the technique is that cholesterol is not substantially incorporated into vesicle membranes. PMID:27510092

  20. Applications of Functionalized Fullerenes in Tumor Theranostics

    OpenAIRE

    Chen, Zhiyun; Ma, Lijing; Liu, Ying; Chen, Chunying

    2012-01-01

    Functionalized fullerenes with specific physicochemical properties have been developed for cancer diagnosis and therapy. Notably, metallofullerene is a new class of magnetic resonance imaging (MRI) contrast-enhancing agent, and may have promising applications for clinical diagnosis. Polyhydroxylated and carboxyl fullerenes have been applied to photoacoustic imaging. Moreover, in recent years, functionalized fullerenes have shown potential in tumor therapies, such as photodynamic therapy, phot...

  1. Insights into the Rational Design of Multi-Functional Fullerene Systems for Application in Blended Heterojunction Organic Solar Cells

    Science.gov (United States)

    Cowart, John S., Jr.

    Elucidating the structure-function relationships of organic semiconductors has been central to the advancement of organic photovoltaics (OPVs). In particular, enhancing the performance of p-type materials in disordered heterojunctions is broadly acknowledged as the principal factor leading to current trends of improved power conversion efficiencies (PCEs). However, two additional factors are crucially important for the next step forward in improving PCEs. First, investigating the influence, design and synthesis of new n-type materials, specifically fullerene acceptors, is of high importance. Second, because fullerene performance is often compromised by the morphological disorder of bulk heterojunctions, developing fullerenes systems that retain fidelity within disordered blends is also of broad interest. In light of these challenges, the field has witnessed a notable shift towards developing a comprehensive understanding of the design rules needed to advance the performance of fullerene acceptors in bulk heterojunctions. This work spotlights two multi-functional fullerene systems designed for blended heterojunctions. First, the synthesis of several novel fullerene-dye adducts with enhanced photon absorption will be presented. The ability of these adducts to absorb visible light in their pure state was evaluated and systematically examined versus their capacity to complement the absorption of low band gap donors and mediate charge transport in bulk heterojunctions. Second, mixed fullerene ternary blends were introduced as a strategy to stabilize the morphology in bulk heterojunctions and prolong operational lifetimes of OPV devices. Combined, these two systems offer unique insight into the rational design of fullerenes for their application in blended systems.

  2. Azimuthal distributions of charged hadrons, pions, and kaons produced in deep-inelastic scattering off unpolarized protons and deuterons

    CERN Document Server

    Airapetian, A; Akopov, Z; Aschenauer, E C; Augustyniak, W; Avakian, R; Avetissian, A; Avetisyan, E; Belostotski, S; Blok, H P; Borissov, A; Bowles, J; Bryzgalov, V; Burns, J; Capiluppi, M; Capitani, G P; Ciullo, G; Contalbrigo, M; Dalpiaz, P F; Deconinck, W; De Leo, R; De Nardo, L; De Sanctis, E; Diefenthaler, M; Di Nezza, P; Düren, M; Elbakian, G; Ellinghaus, F; Fantoni, A; Felawka, L; Frullani, S; Gapienko, G; Gapienko, V; Garibaldi, F; Gavrilov, G; Gharibyan, V; Giordano, F; Gliske, S; Golembiovskaya, M; Hadjidakis, C; Hartig, M; Hasch, D; Hillenbrand, A; Hoek, M; Holler, Y; Hristova, I; Imazu, Y; Ivanilov, A; Jackson, H E; Jo, H S; Joosten, S; Kaiser, R; Karyan, G; Keri, T; Kinney, E; Kisselev, A; Korotkov, V; Kozlov, V; Kravchenko, P; Krivokhijine, V G; Lagamba, L; Lapikás, L; Lehmann, I; Lenisa, P; Ruiz, A López; Lorenzon, W; Ma, B -Q; Mahon, D; Makins, N C R; Manaenkov, S I; Manfré, L; Mao, Y; Marianski, B; de la Ossa, A Martinez; Marukyan, H; Miller, C A; Miyachi, Y; Movsisyan, A; Murray, M; Nappi, E; Naryshkin, Y; Nass, A; Negodaev, M; Nowak, W -D; Pappalardo, L L; Perez-Benito, R; Petrosyan, A; Raithel, M; Reimer, P E; Reolon, A R; Riedl, C; Rith, K; Rosner, G; Rostomyan, A; Rubin, J; Ryckbosch, D; Salomatin, Y; Sanftl, F; Schäfer, A; Schnell, G; Schüler, K P; Seitz, B; Shibata, T -A; Stancari, M; Statera, M; Steijger, J J M; Stewart, J; Stinzing, F; Terkulov, A; Truty, R; Trzcinski, A; Tytgat, M; Vandenbroucke, A; Van Haarlem, Y; Van Hulse, C; Veretennikov, D; Vikhrov, V; Vilardi, I; Wang, S; Yaschenko, S; Ye, Z; Yen, S; Yu, W; Zagrebelnyy, V; Zeiler, D; Zihlmann, B; Zupranski, P

    2012-01-01

    The azimuthal cos{\\phi} and cos2{\\phi} modulations of the distribution of hadrons produced in unpolarized semi-inclusive deep-inelastic scattering of electrons and positrons off hydrogen and deuterium targets have been measured in the HERMES experiment. For the first time these modulations were determined in a four-dimensional kinematic space for positively and negatively charged pions and kaons separately, as well as for unidentified hadrons. These azimuthal dependences are sensitive to the transverse motion and polarization of the quarks within the nucleon via, e.g., the Cahn, Boer-Mulders and Collins effects.

  3. Azimuthal distributions of charged hadrons, pions, and kaons produced in deep-inelastic scattering off unpolarized protons and deuterons

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [Giessen Univ. (Germany). Physikalisches Inst.; Michigan Univ., Ann Arbor, MI (United States). Randall Laboratory of Physics; Akopov, N. [Yerevan Physics Institute (Armenia); Akopov, Z. [DESY Hamburg (DE)] (and others)

    2012-04-15

    The azimuthal cos {phi} and cos 2{phi} modulations of the distribution of hadrons produced in unpolarized semi-inclusive deep-inelastic scattering of electrons and positrons off hydrogen and deuterium targets have been measured in the Hermes experiment. For the first time these modulations were determined in a four-dimensional kinematic space for positively and negatively charged pions and kaons separately, as well as for unidentified hadrons. These azimuthal dependences are sensitive to the transverse motion and polarization of the quarks within the nucleon via, e.g., the Cahn, Boer-Mulders and Collins effects.

  4. Azimuthal asymmetries of charged hadrons produced in high-energy muon scattering off longitudinally polarised deuterons

    CERN Document Server

    Adolph, C; The COMPASS collaboration; Akhunzyanov, R; Alexeev, M G; Alexeev, G D; Amoroso, A; Andrieux, V; Anfimov, N V; Anosov, V; Augsten, K; Augustyniak, W; Austregesilo, A; Azevedo, C D R; Badelek, B; Balestra, F; Ball, M; Barth, J; Beck, R; Bedfer, Y; Bernhard, J; Bicker, K; Bielert, E R; Birsa, R; Bodlak, M; Bordalo, P; Bradamante, F; Braun, C; Bressan, A; Buechele, M; Chang, W -C; Chatterjee, C; Chiosso, M; Choi, I; Chung, S -U; Cicuttin, A; Crespo, M L; Curiel, Q; Dalla Torre, S; Dasgupta, S S; Dasgupta, S; Denisov, O Yu; Dhara, L; Donskov, S V; Doshita, N; Dreisbach, Ch; Duic, V; Duennweber, W; Dziewiecki, M; Efremov, A; Eversheim, P D; Eyrich, W; Faessler, M; Ferrero, A; Finger, M; Finger jr, M; Fischer, H; Franco, C; du Fresne von Hohenesche, N; Friedrich, J M; Frolov, V; Fuchey, E; Gautheron, F; Gavrichtchouk, O P; Gerassimov, S; Giarra, J; Giordano, F; Gnesi, I; Gorzellik, M; Grabmueller, S; Grasso, A; Grosse Perdekamp, M; Grube, B; Grussenmeyer, T; Guskov, A; Haas, F; Hahne, D; Hamar, G; von Harrach, D; Heinsius, F H; Heitz, R; Herrmann, F; Horikawa, N; d'Hose, N; Hsieh, C -Y; Huber, S; Ishimoto, S; Ivanov, A; Ivanshin, Yu; Iwata, T; Jary, V; Joosten, R; Joerg, P; Kabuss, E; Ketzer, B; Khaustov, G V; Khokhlov, Yu A; Kisselev, Yu; Klein, F; Klimaszewski, K; Koivuniemi, J H; Kolosov, V N; Kondo, K; Koenigsmann, K; Konorov, I; Konstantinov, V F; Kotzinian, A M; Kouznetsov, O M; Kraemer, M; Kremser, P; Krinner, F; Kroumchtein, Z V; Kulinich, Y; Kunne, F; Kurek, K; Kurjata, R P; Lednev, A A; Lehmann, A; Levillain, M; Levorato, S; Lian, Y -S; Lichtenstadt, J; Longo, R; Maggiora, A; Magnon, A; Makins, N; Makke, N; Mallot, G K; Marianski, B; Martin, A; Marzec, J; Matousek, J; Matsuda, H; Matsuda, T; Meshcheryakov, G V; Meyer, M; Meyer, W; Mikhailov, Yu V; Mikhasenko, M; Mitrofavov, E; Mitrofanov, N; Miyachi, Y; Nagaytsev, A; Nerling, F; Neyret, D; Novy, J; Nowak, W -D; Nukazuka, G; Nunes, A S; Olshevsky, A G; Orlov, I; Ostrick, M; Panzieri, D; Parsamyan, B; Paul, S; Peng, J -C; Pereira, F; Pesek, M; Peshekhonov, D V; Pierre, N; Platchkov, S; Pochodzalla, J; Polyakov, V A; Pretz, J; Quaresma, M; Quintans, C; Ramos, S; Regali, C; Reicherz, G; Riedl, C; Roskot, M; Rossiyskaya, N; Ryabchikov, D I; Rybnikov, A; Rychter, A; Salac, R; Samoylenko, V D; Sandacz, A; Santos, C; Sarkar, S; Savin, I A; Sawada, T; Sbrizzai, G; Schiavon, P; Schmidt, K; Schmieden, H; Schoenning, K; Seder, E; Selyunin, A; Silva, L; Sinha, L; Sirtl, S; Slunecka, M; Smolik, J; Srnka, A; Steffen, D; Stolarski, M; Subrt, O; Sulc, M; Suzuki, H; Szabelski, A; Szameitat, T; Sznajder, P; Takekawa, S; Tasevsky, M; Tessaro, S; Tessarotto, F; Thibaud, F; Thiel, A; Tosello, F; Tskhay, V; Uhl, S; Veloso, J; Virius, M; Vondra, J; Wallner, S; Weisrock, T; Wilfert, M; ter Wolbeek, J; Zaremba, K; Zavada, P; Zavertyaev, M; Zemlyanichkina, E; Zhuravlev, N; Ziembicki, M; Zink, A

    2016-01-01

    Single hadron azimuthal asymmetries in the cross sections of positive and negative hadron production in muon semi-inclusive deep inelastic scattering off longitudinally polarised deuterons are determined using the 2006 COMPASS data and also all deuteron COMPASS data. For each hadron charge, the dependence of the azimuthal asymmetry on the hadron azimuthal angle $\\phi$ is obtained by means of a five-parameter fitting function that besides a $\\phi$-independent term includes four modulations predicted by theory: $\\sin\\phi$, $\\sin 2 \\phi$, $\\sin 3\\phi$ and $\\cos\\phi$. The amplitudes of the five terms have been first extracted for the data integrated over all kinematic variables. In further fits, the $\\phi$-dependence is determined as a function of one of three kinematic variables (Bjorken-$x$, fractional energy of virtual photon taken by the outgoing hadron and hadron transverse momentum), while disregarding the other two. Except the $\\phi$-independent term, all the modulation amplitudes are very small, and no c...

  5. Azimuthal asymmetries of charged hadrons produced in high-energy muon scattering off longitudinally polarised deuterons

    CERN Document Server

    Adolph, C; Akhunzyanov, R; Alexeev, M G; Alexeev, G D; Amoroso, A; Andrieux, V; Anfimov, N V; Anosov, V; Augsten, K; Augustyniak, W; Austregesilo, A; Azevedo, C D R; Badełek, B; Balestra, F; Ball, M; Barth, J; Beck, R; Bedfer, Y; Bernhard, J; Bicker, K; Bielert, E R; Birsa, R; Bodlak, M; Bordalo, P; Bradamante, F; Braun, C; Bressan, A; Buchele, M; Chang, W-C; Chatterjee, C; Chiosso, M; Choi, I; Chung, S-U; Cicuttin, A; Crespo, M L; Curiel, Q; Dalla Torre, S; Dasgupta, S S; Dasgupta, S; Denisov, O Yu; Dhara, L; Donskov, S V; Doshita, N; Dreisbach, Ch; Duic, V; Dunnweber, W; Dziewiecki, M; Efremov, A; Eversheim, P D; Eyrich, W; Faessler, M; Ferrero, A; Finger, M; Finger jr, M; Fischer, H; Franco, C; du Fresne von Hohenesche, N; Friedrich, J M; Frolov, V; Fuchey, E; Gautheron, F; Gavrichtchouk, O P; Gerassimov, S; Giarra, J; Giordano, F; Gnesi, I; Gorzellik, M; Grabmuller, S; Grasso, A; Grosse Perdekamp, M; Grube, B; Grussenmeyer, T; Guskov, A; Haas, F; Hahne, D; Hamar, G; von Harrach, D; Heinsius, F H; Heitz, R; Herrmann, F; Horikawa, N; d’Hose, N; Hsieh, C-Y; Huber, S; Ishimoto, S; Ivanov, A; Ivanshin, Yu; Iwata, T; Jary, V; Joosten, R; Jorg, P; Kabuß, E; Ketzer, B; Khaustov, G V; Khokhlov, Yu A; Kisselev, Yu; Klein, F; Klimaszewski, K; Koivuniemi, J H; Kolosov, V N; Kondo, K; Konigsmann, K; Konorov, I; Konstantinov, V F; Kotzinian, A M; Kouznetsov, O M; Kramer, M; Kremser, P; Krinner, F; Kroumchtein, Z V; Kulinich, Y; Kunne, F; Kurek, K; Kurjata, R P; Lednev, A A; Lehmann, A; Levillain, M; Levorato, S; Lian, Y-S; Lichtenstadt, J; Longo, R; Maggiora, A; Magnon, A; Makins, N; Makke, N; Mallot, G K; Marianski, B; Martin, A; Marzec, J; Matousek, J; Matsuda, H; Matsuda, T; Meshcheryakov, G V; Meyer, M; Meyer, W; Mikhailov, Yu V; Mikhasenko, M; Mitrofanov, E; Mitrofanov, N; Miyachi, Y; Nagaytsev, A; Nerling, F; Neyret, D; Novy, J; Nowak, W-D; Nukazuka, G; Nunes, A S; Olshevsky, A G; Orlov, I; Ostrick, M; Panzieri, D; Parsamyan, B; Paul, S; Peng, J-C; Pereira, F; Pesek, M; Peshekhonov, D V; Pierre, N; Platchkov, S; Pochodzalla, J; Polyakov, V A; Pretz, J; Quaresma, M; Quintans, C; Ramos, S; Regali, C; Reicherz, G; Riedl, C; Roskot, M; Rossiyskaya, N S; Ryabchikov, D I; Rybnikov, A; Rychter, A; Salac, R; Samoylenko, V D; Sandacz, A; Santos, C; Sarkar, S; Savin, I A; Sawada, T; Sbrizzai, G; Schiavon, P; Schmidt, K; Schmieden, H; Schonning, K; Seder, E; Selyunin, A; Silva, L; Sinha, L; Sirtl, S; Slunecka, M; Smolik, J; Srnka, A; Steffen, D; Stolarski, M; Subrt, O; Sulc, M; Suzuki, H; Szabelski, A; Szameitat, T; Sznajder, P; Takekawa, S; Tasevsky, M; Tessaro, S; Tessarotto, F; Thibaud, F; Thiel, A; Tosello, F; Tskhay, V; Uhl, S; Veloso, J; Virius, M; Vondra, J; Wallner, S; Weisrock, T; Wilfert, M; ter Wolbeek, J; Zaremba, K; Zavada, P; Zavertyaev, M; Zemlyanichkina, E; Zhuravlev, N; Ziembicki, M; Zink, A

    2016-01-01

    Single hadron azimuthal asymmetries in the cross sections of positive and negative hadron production in muon semi-inclusive deep inelastic scattering off longitudinally polarised deuterons are determined using the 2006 COMPASS data and also all deuteron COMPASS data. For each hadron charge, the dependence of the azimuthal asymmetry on the hadron azimuthal angle $\\phi$ is obtained by means of a five-parameter fitting function that besides a $\\phi$-independent term includes four modulations predicted by theory: $\\sin\\phi$, $\\sin 2 \\phi$, $\\sin 3\\phi$ and $\\cos\\phi$. The amplitudes of the five terms have been first extracted for the data integrated over all kinematic variables. In further fits, the $\\phi$-dependence is determined as a function of one of three kinematic variables (Bjorken-$x$, fractional energy of virtual photon taken by the outgoing hadron and hadron transverse momentum), while disregarding the other two. Except the $\\phi$-independent term, all the modulation amplitudes are very small, and no cl...

  6. Fullerenes, PAH, Carbon Nanostructures, and Soot in Low Pressure Diffusion Flames

    Science.gov (United States)

    Grieco, William J.; Lafleur, Arthur L.; Rainey, Lenore C.; Taghizadeh, Koli; VanderSande, John B.; Howard, Jack B.

    1997-01-01

    The formation of fullerenes C60 and C7O is known to occur in premixed laminar benzene/oxygen/argon flames operated at reduced pressures. High resolution transmission electron microscopy (HRTEM) images of material collected from these flames has identified a variety of multishelled nanotubes and fullerene 'onions' as well as some trigonous structures. These fullerenes and nanostructures resemble the material that results from commercial fullerene production systems using graphite vaporization. As a result, combustion is an interesting method for fullerenes synthesis. If commercial scale operation is to be considered, the use of diffusion flames might be safer and less cumbersome than premixed flames. However, it is not known whether diffusion flames produce the types and yields of fullerenes obtained from premixed benzene/oxygen flames. Therefore, the formation of fullerenes and carbon nanostructures, as well as polycyclic aromatic hydrocarbons (PAH) and soot, in acetylene and benzene diffusion flames is being studied using high performance liquid chromatography (HPLC) and high resolution transmission electron microscopy (HRTEM).

  7. The climatology of lightning producing large impulse charge moment changes with an emphasis on mesoscale convective systems

    Science.gov (United States)

    Beavis, Nicholas

    The use of both total charge moment change (CMC) and impulse charge moment change (iCMC) magnitudes to assess the potential of a cloud-to-ground (CG) lightning stroke to induce a mesospheric sprite has been well described in literature. However, this work has primarily been carried out on a case study basis. To complement these previous case studies, climatologies of regional, seasonal, and diurnal observations of large-iCMC discharges are presented. In this study, large-iCMC discharges for thresholds > 100 and > 300 C km in both positive and negative polarities are analyzed on a seasonal basis using density maps of 2o by 2o resolution across the conterminous U.S. using data from the Charge Moment Change Network (CMCN). Also produced were local solar time diurnal distributions in eight different regions covering the lower 48 states as well as the Atlantic Ocean, including the Gulf Stream. In addition, National Lightning Detection Network (NLDN) cloud-to-ground (CG) flash diurnal distributions were included. The seasonal maps show the predisposition of large positive iCMCs to dominate across the Northern Great Plains, with large negative iCMCs favored in the Southeastern U.S. year-round. During summer, the highest frequency of large positive iCMCs across the Upper Midwest aligns closely with the preferred tracks of nocturnal mesoscale convective systems (MCSs). As iCMC values increase above 300 C km, the maximum shifts eastward of the 100 C km maximum in the Central Plains. The Southwestern U.S. also experiences significant numbers of large-iCMC discharges in summer, presumably due to convection associated with the North American Monsoon (NAM). The Gulf Stream is active year round, with a bias towards more large positive iCMCs in winter. Diurnal distributions in the eight regions support these conclusions, with a nocturnal peak in large-iCMC discharges in the Northern Great Plains and Great Lakes, an early- to mid-afternoon peak in the Intermountain West and the

  8. Superconductivity in doped fullerenes

    International Nuclear Information System (INIS)

    While there is not complete agreement on the microscopic mechanism of superconductivity in alkali-metal-doped C sup 0, further research may well lead to the production of analogous materials that lose resistance at even higher temperatures. Carbon 60 is a fascinating and arrestingly beautiful molecule. With 12 pentagonal and 20 hexagonal faces symmetrically arrayed in a soccer-ball-like structure that belongs to the icosahedral point group, I sub h, its high symmetry alone invites special attention. The publication in september 1990 of a simple technique for manufacturing and concentrating macroscopic amounts of this new form of carbon announced to the scientific community that enabling technology had arrived. Macroscopic amounts of C sub 6 sub 0 (and the higher fullerenes, such as C sub 7 sub 0 and C sub 8 sub 4) can now be made with an apparatus as simple as an arc furnace powered with an arc welding supply. Accordingly, chemists, physicists and materials scientists have joined forces in an explosion of effort to explore the properties of this unusual molecular building block. (author). 23 refs., 6 figs

  9. Fullerenes as unique nanopharmaceuticals for disease treatment

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    As unique nanoparticles,fullerenes have attracted much attention due to their unparalleled physical,chemical and biological properties.Various functionalized fullerenes with OH,NH2,COOH,and peptide modifications were developed.It summarized the biological activities of fullerenes derivatives in cancer therapy with high efficiency and low toxicity,as reactive oxygen species scavenger and lipid peroxidation inhibitor,to inhibit human immunodeficiency virus and to suppress bacteria and microbial at low concentration.In addition,the mechanism for fullerene to enter cells and biodistribution of fullerene in vivo was also discussed.This research focuses on the current understanding of fullerenes-based nanomaterials in the potential clinical application as well as biological mechanism of fullerenes and its derivatives in disease therapy.

  10. A simple theory of molecular organization in fullerene containing liquid crystals

    OpenAIRE

    Peroukidis, S. D.; Vanakaras, A. G.; Photinos, D.J.

    2005-01-01

    Systematic efforts to synthesise fullerene containing LCs have produced a variety of successful model compounds. We present a simple molecular theory relating the self-organisation observed in these systems to their molecular structure. The interactions are modelled by dividing each molecule into a number of sub-molecular blocks to which specific interactions are assigned. Three types of blocks are introduced, corresponding to fullerene units, mesogenic units, and non-mesogenic linkage units....

  11. A New Battery Energy Storage Charging/Discharging Scheme for Wind Power Producers in Real-Time Markets

    Directory of Open Access Journals (Sweden)

    Minh Y Nguyen

    2012-12-01

    Full Text Available Under a deregulated environment, wind power producers are subject to many regulation costs due to the intermittence of natural resources and the accuracy limits of existing prediction tools. This paper addresses the operation (charging/discharging problem of battery energy storage installed in a wind generation system in order to improve the value of wind power in the real-time market. Depending on the prediction of market prices and the probabilistic information of wind generation, wind power producers can schedule the battery energy storage for the next day in order to maximize the profit. In addition, by taking into account the expenses of using batteries, the proposed charging/discharging scheme is able to avoid the detrimental operation of battery energy storage which can lead to a significant reduction of battery lifetime, i.e., uneconomical operation. The problem is formulated in a dynamic programming framework and solved by a dynamic programming backward algorithm. The proposed scheme is then applied to the study cases, and the results of simulation show its effectiveness.

  12. Clar Structure and Fries Set of Fullerenes and (4,6)-Fullerenes on Surfaces

    OpenAIRE

    Yang Gao; Heping Zhang

    2014-01-01

    Fowler and Pisanski showed that the Fries number for a fullerene on surface Σ is bounded above by $|V|/3$ , and fullerenes which attain this bound are exactly the class of leapfrog fullerenes on surface Σ. We showed that the Clar number of a fullerene on surface Σ is bounded above by $(|V|/6)-\\chi (\\mathrm{\\Sigma })$ , where $\\chi (\\mathrm{\\Sigma })$ stands for the Euler characteristic of Σ. By establishing a relation between the extremal fullerenes and the extremal (4,6)-fullerenes on the sp...

  13. Mechanism of plasma-arc formation of fullerenes from coal and related materials

    Energy Technology Data Exchange (ETDEWEB)

    Pang, L.S.K.; Wilson, M.A.; Quezada, R.A. [CSIRO Petroleum, North Ryde (Australia)] [and others

    1995-12-31

    When an arc is struck across graphite or coal electrodes in a helium atmosphere several products are formed including soot containing fullerenes. The mechanism by which fullerenes and nanotubes are formed is not understood. At arc temperatures exceeding 3000{degrees}C, highly ordered fullerenes might be expected to be less stable than graphite, and hence fullerene production is believed to proceed in cooler regions at the edge of the arc. There is irrefutable evidence that [C{sub 60}]-fullerene grows in a plasma from atomic carbon vapour or equivalent. When {sup 13}C-labelled carbon powder is packed into the anode, the fullerenes as produced contain a statistical distribution of {sup 13}C atoms. This implies that graphite has split into small units, predominantly C{sub 1} or C{sub 2} in the plasma and these units are involved in fullerene formation. When coal or other organic materials are used in the anode, weaker bonds are present, which may break preferentially. As a result, larger fragments, other than C{sub 1} and C{sub 2} units can exist in the plasma. This paper demonstrates the existence of such larger fragments when various coals are used and this implies that fullerenes can be formed from larger units than C{sub 1} and C{sub 2}. The distribution of polycyclic hydrocarbons formed depends very much on the structure of the coal used for the arcing experiments. The distribution of the natural abundance of {sup 13}C/{sup 12}C ratios in the fullerene products further supports this evidence.

  14. Interface engineering for efficient fullerene-free organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Shivanna, Ravichandran; Narayan, K. S., E-mail: rajaram@jncasr.ac.in, E-mail: narayan@jncasr.ac.in [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India); Rajaram, Sridhar, E-mail: rajaram@jncasr.ac.in, E-mail: narayan@jncasr.ac.in [International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India)

    2015-03-23

    We demonstrate the role of zinc oxide (ZnO) morphology and addition of an acceptor interlayer to achieve high efficiency fullerene-free bulk heterojunction inverted organic solar cells. Nanopatterning of the ZnO buffer layer enhances the effective light absorption in the active layer, and the insertion of a twisted perylene acceptor layer planarizes and decreases the electron extraction barrier. Along with an increase in current homogeneity, the reduced work function difference and selective transport of electrons prevent the accumulation of charges and decrease the electron-hole recombination at the interface. These factors enable an overall increase of efficiency to 4.6%, which is significant for a fullerene-free solution-processed organic solar cell.

  15. Protein-directed self-assembly of a fullerene crystal

    Science.gov (United States)

    Kim, Kook-Han; Ko, Dong-Kyun; Kim, Yong-Tae; Kim, Nam Hyeong; Paul, Jaydeep; Zhang, Shao-Qing; Murray, Christopher B.; Acharya, Rudresh; Degrado, William F.; Kim, Yong Ho; Grigoryan, Gevorg

    2016-04-01

    Learning to engineer self-assembly would enable the precise organization of molecules by design to create matter with tailored properties. Here we demonstrate that proteins can direct the self-assembly of buckminsterfullerene (C60) into ordered superstructures. A previously engineered tetrameric helical bundle binds C60 in solution, rendering it water soluble. Two tetramers associate with one C60, promoting further organization revealed in a 1.67-Å crystal structure. Fullerene groups occupy periodic lattice sites, sandwiched between two Tyr residues from adjacent tetramers. Strikingly, the assembly exhibits high charge conductance, whereas both the protein-alone crystal and amorphous C60 are electrically insulating. The affinity of C60 for its crystal-binding site is estimated to be in the nanomolar range, with lattices of known protein crystals geometrically compatible with incorporating the motif. Taken together, these findings suggest a new means of organizing fullerene molecules into a rich variety of lattices to generate new properties by design.

  16. Dust particle charge screening in the dry-air plasma produced by an external ionization source

    Energy Technology Data Exchange (ETDEWEB)

    Derbenev, I. N.; Filippov, A. V., E-mail: fav@triniti.ru [State Research Center of the Russian Federation Troitsk Institute for Innovation and Fusion Research (Russian Federation)

    2015-08-15

    The ionic composition of the plasma produced by an external ionization source in dry air at atmospheric pressure and room temperature and the screening of the electric field of a dust particle in such a plasma have been investigated. The point sink model based on the diffusion-drift approximation has been used to solve the screening problem. We have established that the main species of ions in the plasma under consideration are O{sub 4}{sup +}, O{sub 2}{sup -}, and O{sub 4}{sup -} and that the dust particle potential distribution is described by a superposition of four exponentials with four different constants. We show that the first constant coincides with the inverse Debye length, the second is described by the inverse ambipolar diffusion length of the positive and negative plasma components in the characteristic time of their recombination, the third is determined by the conversion of negative ions, and the fourth is determined by the attachment and recombination of electrons and diatomic ions.

  17. Optical, structural and electrical properties of polyaniline systems doped with C{sub 60} and small gap C{sub 60} fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Politakos, Nikolaos; Zalakain, Iñaki; Fernandez d' Arlas, Borja; Eceiza, Arantxa; Kortaberria, Galder, E-mail: galder.cortaberria@ehu.es

    2013-10-01

    In this work two systems consisting on polyaniline (Pani) doped with simple and small gap C{sub 60} fullerenes have been prepared and characterized. Composites with different doping amounts of 1,2,4 and 8 wt% have been analyzed in order to evaluate their structure together with their optical and electrical properties and the effect of fullerene type and amount on them. The shift and change of shape in Fourier transform infrared spectroscopy (FTIR) bands and solid {sup 13}C NMR spectroscopy signals showed the presence of interactions between matrix and fullerenes by electron density transfer among them. Optical properties have also been analyzed in terms of ultraviolet (UV) spectroscopy. The blue shift of several bands confirmed the charge transfer. Obtained structures have been analyzed by optical microscopy (OM) showing the different way in which both types of fullerenes have been incorporated into the polymer chains. Finally, conductivity has been measured by the four probe technique, relating obtained values with the structure of the composite and the different degree of crystallinity of simple and small gap fullerenes. - Highlights: • Use of small gap fullerenes as doping agent with polyaniline (Pani). • Electrical properties comparison between simple C{sub 60} and small gap fullerenes systems with polyaniline. • Different conductive behavior for small gap fullerenes and simple C{sub 60} depending on their size. • Study of optical and structural properties of different Pani/fullerenes composite systems. • Enhanced electrical properties for both systems in respect to the neat polyaniline (Pani)

  18. Inorganic Fullerenes, Onions, and Tubes

    Science.gov (United States)

    York, Andrew P. E.

    2004-01-01

    Buckminsterfullerene, which is in the shape of a soccer-ball was first discovered in 1985, has many applications as a good lubricant, or as a new superconductor. The synthesis of these inorganic fullerenes involves a great deal of interdisciplinary research between physicists, material scientists, engineers and chemists from various fields.

  19. Multiply charged ion beams from solid substances

    International Nuclear Information System (INIS)

    The mVINIS Ion Source has enabled us to obtain multiply charged ion beams from gases as well as from solid materials. The solid substance ion beams were produced by using two techniques: a) the evaporation of metals by using the inlet system based on mini-oven and b) the metal-ions-from volatile-compounds method (MIVOC) by using the modified gas inlet system. In the production of high current stable ion beams of solids with relatively high melting points (over 1000 deg) were made great efforts. The B3+ ion beam current of over 300 μA is one of the most intensive beams extracted until now. The obtained multiply charged ion beam spectra of solid substances (B, Fe and Zn) are presented as well as some of the corresponding experimental results achieved during the modification of polymers, carbon materials and fullerenes. (author)

  20. Production of a high energy beam of multiply charged Cn+60 ions

    International Nuclear Information System (INIS)

    For the first time fullerene ions have been accelerated to high energy (14-50 MeV). Negative ions of C-60 were produced in the ion source with a Cs gun and injected into the tandem accelerator. The change of charge from negative to positive was achieved in a N2 gas cell at the high voltage terminal before the second acceleration. To identify the accelerated molecular ions, the injected beam was pulsed, and time of flight measurements were performed. Unambiguous mass and charge assignments were obtained

  1. Development of Mass Spectrometric Ionization Methods for Fullerenes and Fullerene Derivatives

    Science.gov (United States)

    Currently investigations into the environmental behavior of fullerenes and fullerene derivatives is hampered by the lack of well characterized standards and by the lack of readily available quantitative analytical methods. Reported herein are investigations into the utility of ma...

  2. Secondary radiation measurements for particle therapy applications: Charged secondaries produced by 4He and 12C ion beams in a PMMA target at large angle

    CERN Document Server

    Rucinski, A; Battistoni, G; Collamati, F; Faccini, R; Frallicciardi, P M; Mancini-Terracciano, C; Marafini, M; Mattei, I; Muraro, S; Paramatti, R; Piersanti, L; Pinci, D; Russomando, A; Sarti, A; Sciubba, A; Camillocci, E Solfaroli; Toppi, M; Traini, G; Voena, C; Patera, V

    2016-01-01

    Measurements performed with the purpose of characterizing the charged secondary radiation for dose release monitoring in particle therapy are reported. Charged secondary yields, energy spectra and emission profiles produced in poly-methyl methacrylate (PMMA) target by 4He and 12C beams of different therapeutic energies were measured at 60 and 90 degree with respect to the primary beam direction. The secondary yields of protons produced along the primary beam path in PMMA target were obtained. The energy spectra of charged secondaries were obtained from time-of-flight information, whereas the emission profiles were reconstructed exploiting tracking detector information. The measured charged secondary yields and emission profiles are in agreement with the results reported in literature and confirm the feasibility of ion beam therapy range monitoring using 12C ion beam. The feasibility of range monitoring using charged secondary particles is also suggested for 4He ion beam.

  3. Supramolecular fullerene-porphyrin chemistry. Fullerene complexation by metalated "jaws porphyrin" hosts.

    Science.gov (United States)

    Sun, Dayong; Tham, Fook S; Reed, Christopher A; Chaker, Leila; Boyd, Peter D W

    2002-06-12

    Porphyrins and fullerenes are spontaneously attracted to each other. This new supramolecular recognition element is explored in discrete, soluble, coordinatively linked porphyrin and metalloporphyrin dimers. Jawlike clefts in these bis-porphyrins are effective hosts for fullerene guests. X-ray structures of the Cu complex with C60 and free-base complexes with C70 and a pyrrolidine-derivatized C60 have been obtained. The electron-rich 6:6 ring-juncture bonds of C60 show unusually close approach to the porphyrin or metalloporphyrin plane. Binding constants in toluene solution increase in the order Fe(II) metalated porphyrins. This is ascribed to electrostatic forces, enhancing the largely van der Waals forces of the pi-pi interaction. The ordering with metals is ascribed to a subtle interplay of solvation and weak interaction forces. Conflicting opinions on the relative importance of van der Waals forces, charge transfer, electrostatic attraction, and coordinate bonding are addressed. The supramolecular design principles arising from these studies have potential applications in the preparation of photophysical devices, molecular magnets, molecular conductors, and porous metal-organic frameworks. PMID:12047181

  4. OSCAR, a code for the calculation of the yield of radioisotopes produced by charged-particle induced nuclear reactions

    International Nuclear Information System (INIS)

    A computer code OSCAR, operated on a main frame computer was developed for the calculation of the yield of radioisotopes produced by charged-particle induced nuclear reactions. The excitation functions required for calculating the yield were evaluated by means of an empirical rule which we developed on the basis of a systematics derived from a number of experimental data reported in the literature. The rule is valid for light ion (Z ≤ 2)-induced reactions followed by neutron emission processes. Other excitation functions are also obtainable from the data file in OSCAR. In addition, the code possesses functions useful for the calculation of the stopping power and range. The energy loss and the distribution of recoil products in stacked targets are also provided as options. The formalism, structure, and direction for the usage of the code are described together with the explanation of the functions of some routines. (author)

  5. Transverse momentum and transverse mass distributions of charged hadrons produced in Au-Au collisions at high energies

    Institute of Scientific and Technical Information of China (English)

    Liu Fu-Hu

    2008-01-01

    The transverse momentum distribution and the transverse mass distribution of charged hadrons produced in nucleus-nucleus collisions at high energies are described by using a two-cylinder model. The results calculated by the model are compared and found to be in agreement with the experimental data of the STAR and E895 Collaborations, measured in Au-Au collisions at the relativistic heavy ion collider (RHIC) and alternating-gradient synchrotron (AGS) energies, respectively. In the energy range concerned, the excitation degree of emission source close to the central axis of cylinders increases obviously with the collision centrality and incident energy increasing, but it does not show any obvious change with the increase of the (pseudo) rapidity in central collisions. The excitation degree of emission source close to the side-surface of cylinders does not show any obvious change with the collision centrality, the (pseudo) rapidity, and the incident energy increasing.

  6. Hydrodynamic description for the pseudorapidity distributions of the charged particles produced in nucleus + nucleus collisions at high energy

    International Nuclear Information System (INIS)

    By using the revised Landau hydrodynamic model and taking into account the effect of leading particles, we discuss the pseudorapidity distributions of the charged particles produced in high energy heavy-ion collisions. The leading particles are assumed to have the rapidity distributions with Gaussian forms with the normalization constant being equal to the number of participants, which can be figured out in theory. The results from the revised Landau hydrodynamic model, together with the contributions from leading particles, were found to be consistent with the experimental data obtained by the PHOBOS Collaboration on RHIC (Relativistic Heavy Ion Collider) at BNL (Brookhaven National Laboratory) in different centrality Cu + Cu and Au + Au collisions at high energies.

  7. Recombination in polymer:Fullerene solar cells with open-circuit voltages approaching and exceeding 1.0 V

    KAUST Repository

    Hoke, Eric T.

    2012-09-14

    Polymer:fullerene solar cells are demonstrated with power conversion efficiencies over 7% with blends of PBDTTPD and PC 61 BM. These devices achieve open-circuit voltages ( V oc ) of 0.945 V and internal quantum efficiencies of 88%, making them an ideal candidate for the large bandgap junction in tandem solar cells. V oc \\'s above 1.0 V are obtained when the polymer is blended with multiadduct fullerenes; however, the photocurrent and fill factor are greatly reduced. In PBDTTPD blends with multiadduct fullerene ICBA, fullerene emission is observed in the photoluminescence and electroluminescence spectra, indicating that excitons are recombining on ICBA. Voltage-dependent, steady state and time-resolved photoluminescence measurements indicate that energy transfer occurs from PBDTTPD to ICBA and that back hole transfer from ICBA to PBDTTPD is inefficient. By analyzing the absorption and emission spectra from fullerene and charge transfer excitons, we estimate a driving free energy of -0.14 ± 0.06 eV is required for efficient hole transfer. These results suggest that the driving force for hole transfer may be too small for efficient current generation in polymer:fullerene solar cells with V oc values above 1.0 V and that non-fullerene acceptor materials with large optical gaps ( > 1.7 eV) may be required to achieve both near unity internal quantum efficiencies and values of V oc exceeding 1.0 V. © 2013 WILEY-VCH Verlag GmbH and Co.

  8. Organic chemistry of fullerenes: the major reactions, types of fullerene derivatives and prospects for practical use

    Energy Technology Data Exchange (ETDEWEB)

    Troshin, P A; Lyubovskaya, R N [Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region (Russian Federation)

    2008-04-30

    Data on the methods of functionalisation of C{sub 60} and C{sub 70} fullerenes published over the last 15 years are summarised. The general analysis of fullerene reactivity is performed. Nucleophilic and radical addition and cycloaddition reactions are considered in detail. The prospects of using fullerene derivatives as medical drug and photoactive materials for light converting devices are demonstrated.

  9. Influence of nanomorphology on the photovoltaic action of polymer–fullerene composites

    NARCIS (Netherlands)

    Chirvase, D.; Parisi, J.; Hummelen, J.C.; Dyakonov, V.

    2004-01-01

    Composites of conjugated poly(3-hexylthiophene) (P3HT) and the fullerene derivative [6,6]-phenyl-C61 butyric acid methyl ester (PCBM) demonstrate an efficient photogeneration of mobile charge carriers. Thermal annealing of P3HT:PCBM based devices gives rise to a significant increase of the photovolt

  10. Nonlinear optical response in higher fullerenes

    OpenAIRE

    Harigaya, K.

    1997-01-01

    Nonlinear optical properties of extracted higher fullerenes - C70, C76, C78, and C84 - are theoretically investigated. Magnitudes of off-resonant third-harmonic-generation are calculated by the intermediate exciton theory. We find that optical nonlinearities of higher fullerenes are a few times larger than those of C60. The magnitudes of nonlinearity tend to increase as the optical gap decreases in higher fullerenes.

  11. Spheroidal geometry approach to fullerene molecules

    OpenAIRE

    Pincak, R.

    2007-01-01

    Graphite is an example of a layered material that can be bent to form fullerenes which promise important applications in electronic nanodevices. The spheroidal geometry of a slightly elliptically deformed sphere was used as a possible approach to fullerenes. We assumed that for a small deformation the eccentricity of the spheroid is smaller than one. We are interested here in the big elliptically deformed fullerenes.The low-lying electronic levels are described by the Dirac equation in (2+1) ...

  12. Three, four and five-dimensional fullerenes

    OpenAIRE

    Deza, M.; Shtogrin, M. I.

    1999-01-01

    We explore some generalizations of fullerenes F_v (simple polyhedra with v vertices and only 5- and 6-gonal faces) seen as (d-1)-dimensional simple manifolds (preferably, spherical or polytopal) with only 5- and 6-gonal 2-faces. First, finite and planar (infinite) 3-fullerenes are described. Three infinite families of spherical 4-fullerenes are presented in Constructions A,B,C. The Construction A gives 4-polytopes by suitable insertion of fullerenes F_{30}(D_{5h}) into glued 120-cells. The Co...

  13. C(240)-----The most Chemically Inert Fullerene?

    Science.gov (United States)

    Haddon, R. C.; Scuseria, G. E.; Smalley, R. E.

    1997-01-01

    The reactivity of the fullerenes is primarily a function of their strain, as measured by the pyramidalization angle or curvature of the conjugated carbon atoms. The development of faceting in the structure of large icosahedral fullerenes leads to a minimum in the value of the maximum fullerene pyramidalization angle that lies in the vicinity of C-240. On this basis it is argued that C-240 will be the most chemically inert fullerene. This observation explains the production of [10,10] single-walled nanotubes because a C-240 hemisphere is required for the nucleation of such tubes.

  14. Toxicological Effects of Fullerenes on Caenorhabditis elegans

    Science.gov (United States)

    Schomaker, Justin; Snook, Renee; Howell, Carina

    2014-03-01

    The nematode species Caenorhabditis elegans is a useful genetic model organism due to its simplicity and the substantial molecular, genetic, and developmental knowledge about the species. In this study, this species was used to test the toxicological effects of C60 fullerene nanoparticles. In previous studies using rats, a solution of C60 fullerenes in olive oil proved to extend the life of the subjects. The purpose of this experiment was to subject C. elegans to varying concentrations of C60 fullerenes and observe their toxicological effects. Initial findings indicate a link between fullerene exposure and enlargement of the vulva as well as the formation of a small nodule at the base of the tail in some individuals. While the fullerenes are not lethally toxic in C. elegans, results will be presented that pertain to changes in life span and progeny of the nematodes exposed to varying concentrations of fullerenes as well as the mechanisms of toxicity. High magnification imaging via SEM and/or AFM will be used to characterize the fullerene nanoparticles. Testing the toxicity of fullerenes in a wide variety of organisms will lead to a more complete understanding of the effects of fullerenes on living organisms to ultimately understand their effects in humans. This work was supported by National Science Foundation grants DUE-1058829, DMR-0923047, DUE-0806660 and Lock Haven FPDC grants.

  15. The interaction of He{sup −} with fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Mauracher, Andreas; Daxner, Matthias; Huber, Stefan E.; Postler, Johannes; Renzler, Michael; Denifl, Stephan; Scheier, Paul, E-mail: Paul.Scheier@uibk.ac.at, E-mail: andrew.ellis@le.ac.uk [Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Ellis, Andrew M., E-mail: Paul.Scheier@uibk.ac.at, E-mail: andrew.ellis@le.ac.uk [Department of Chemistry, University of Leicester, University Road, Leicester LE1 7RH (United Kingdom)

    2015-03-14

    The effects of interactions between He{sup −} and clusters of fullerenes in helium nanodroplets are described. Electron transfer from He{sup −} to (C{sub 60}){sub n} and (C{sub 70}){sub n} clusters results in the formation of the corresponding fullerene cluster dianions. This unusual double electron transfer appears to be concerted and is most likely guided by electron correlation between the two very weakly bound outer electrons in He{sup −}. We suggest a mechanism which involves long range electron transfer followed by the conversion of He{sup +}into He{sub 2}{sup +}, where formation of the He–He bond in He{sub 2}{sup +} releases sufficient kinetic energy for the cation and the dianion to escape their Coulombic attraction. By analogy with the corresponding dications, the observation of a threshold size of n ≥ 5 for formation of both (C{sub 60}){sub n}{sup 2−} and (C{sub 70}){sub n}{sup 2−} is attributed to Coulomb explosion rather than an energetic constraint. We also find that smaller dianions can be observed if water is added as a co-dopant. Other aspects of He{sup −} chemistry that are explored include its role in the formation of multiply charged fullerene cluster cations and the sensitivity of cluster dianion formation on the incident electron energy.

  16. Endohedral fullerenes for organic photovoltaic devices

    Science.gov (United States)

    Ross, Russel B.; Cardona, Claudia M.; Guldi, Dirk M.; Sankaranarayanan, Shankara Gayathri; Reese, Matthew O.; Kopidakis, Nikos; Peet, Jeff; Walker, Bright; Bazan, Guillermo C.; van Keuren, Edward; Holloway, Brian C.; Drees, Martin

    2009-03-01

    So far, one of the fundamental limitations of organic photovoltaic (OPV) device power conversion efficiencies (PCEs) has been the low voltage output caused by a molecular orbital mismatch between the donor polymer and acceptor molecules. Here, we present a means of addressing the low voltage output by introducing novel trimetallic nitride endohedral fullerenes (TNEFs) as acceptor materials for use in photovoltaic devices. TNEFs were discovered in 1999 by Stevenson et al. ; for the first time derivatives of the TNEF acceptor, Lu3N@C80, are synthesized and integrated into OPV devices. The reduced energy offset of the molecular orbitals of Lu3N@C80 to the donor, poly(3-hexyl)thiophene (P3HT), reduces energy losses in the charge transfer process and increases the open circuit voltage (Voc) to 260mV above reference devices made with [6,6]-phenyl-C61-butyric methyl ester (C60-PCBM) acceptor. PCEs >4% have been observed using P3HT as the donor material. This work clears a path towards higher PCEs in OPV devices by demonstrating that high-yield charge separation can occur with OPV systems that have a reduced donor/acceptor lowest unoccupied molecular orbital energy offset.

  17. Nanoscale Morphology of PTB7 Based Organic Photovoltaics as a Function of Fullerene Size.

    Science.gov (United States)

    Roehling, John D; Baran, Derya; Sit, Joseph; Kassar, Thaer; Ameri, Tayebeh; Unruh, Tobias; Brabec, Christoph J; Moulé, Adam J

    2016-01-01

    High efficiency polymer:fullerene photovoltaic device layers self-assemble with hierarchical features from ångströms to 100's of nanometers. The feature size, shape, composition, orientation, and order all contribute to device efficiency and are simultaneously difficult to study due to poor contrast between carbon based materials. This study seeks to increase device efficiency and simplify morphology measurements by replacing the typical fullerene acceptor with endohedral fullerene Lu3N@PC80BEH. The metal atoms give excellent scattering contrast for electron beam and x-ray experiments. Additionally, Lu3N@PC80BEH has a lower electron affinity than standard fullerenes, which can raise the open circuit voltage of photovoltaic devices. Electron microscopy techniques are used to produce a detailed account of morphology evolution in mixtures of Lu3N@PC80BEH with the record breaking donor polymer, PTB7 and coated using solvent mixtures. We demonstrate that common solvent additives like 1,8-diiodooctane or chloronapthalene do not improve the morphology of endohedral fullerene devices as expected. The poor device performance is attributed to the lack of mutual miscibility between this particular polymer:fullerene combination and to co-crystallization of Lu3N@PC80BEH with 1,8-diiodooctane. This negative result explains why solvent additives mixtures are not necessarily a morphology cure-all. PMID:27498880

  18. Nanoscale Morphology of PTB7 Based Organic Photovoltaics as a Function of Fullerene Size

    Science.gov (United States)

    Roehling, John D.; Baran, Derya; Sit, Joseph; Kassar, Thaer; Ameri, Tayebeh; Unruh, Tobias; Brabec, Christoph J.; Moulé, Adam J.

    2016-08-01

    High efficiency polymer:fullerene photovoltaic device layers self-assemble with hierarchical features from ångströms to 100’s of nanometers. The feature size, shape, composition, orientation, and order all contribute to device efficiency and are simultaneously difficult to study due to poor contrast between carbon based materials. This study seeks to increase device efficiency and simplify morphology measurements by replacing the typical fullerene acceptor with endohedral fullerene Lu3N@PC80BEH. The metal atoms give excellent scattering contrast for electron beam and x-ray experiments. Additionally, Lu3N@PC80BEH has a lower electron affinity than standard fullerenes, which can raise the open circuit voltage of photovoltaic devices. Electron microscopy techniques are used to produce a detailed account of morphology evolution in mixtures of Lu3N@PC80BEH with the record breaking donor polymer, PTB7 and coated using solvent mixtures. We demonstrate that common solvent additives like 1,8-diiodooctane or chloronapthalene do not improve the morphology of endohedral fullerene devices as expected. The poor device performance is attributed to the lack of mutual miscibility between this particular polymer:fullerene combination and to co-crystallization of Lu3N@PC80BEH with 1,8-diiodooctane. This negative result explains why solvent additives mixtures are not necessarily a morphology cure-all.

  19. Nanoscale Morphology of PTB7 Based Organic Photovoltaics as a Function of Fullerene Size.

    Science.gov (United States)

    Roehling, John D; Baran, Derya; Sit, Joseph; Kassar, Thaer; Ameri, Tayebeh; Unruh, Tobias; Brabec, Christoph J; Moulé, Adam J

    2016-08-08

    High efficiency polymer:fullerene photovoltaic device layers self-assemble with hierarchical features from ångströms to 100's of nanometers. The feature size, shape, composition, orientation, and order all contribute to device efficiency and are simultaneously difficult to study due to poor contrast between carbon based materials. This study seeks to increase device efficiency and simplify morphology measurements by replacing the typical fullerene acceptor with endohedral fullerene Lu3N@PC80BEH. The metal atoms give excellent scattering contrast for electron beam and x-ray experiments. Additionally, Lu3N@PC80BEH has a lower electron affinity than standard fullerenes, which can raise the open circuit voltage of photovoltaic devices. Electron microscopy techniques are used to produce a detailed account of morphology evolution in mixtures of Lu3N@PC80BEH with the record breaking donor polymer, PTB7 and coated using solvent mixtures. We demonstrate that common solvent additives like 1,8-diiodooctane or chloronapthalene do not improve the morphology of endohedral fullerene devices as expected. The poor device performance is attributed to the lack of mutual miscibility between this particular polymer:fullerene combination and to co-crystallization of Lu3N@PC80BEH with 1,8-diiodooctane. This negative result explains why solvent additives mixtures are not necessarily a morphology cure-all.

  20. Fluorous fullerenes and their properties

    Science.gov (United States)

    Yurchenko, Michael E.

    We report the first synthesis of a well-characterized "Teflon ponytail" fullerene adducts via the Hirsch-Bingel reaction with a malonate bearing two perfluorinated alkyl chains. Out of 3 different adducts synthesized, C3 tris-adduct shows excellent solubility in perfluorinated solvents, such as FC-72 and FC-75. It was found to be an efficient sensitizer for singlet oxygen formation in fluorous media, which has potential in biphasic systems and in photobiology. In attempts to develop Fluorous/Organic phase transport systems, several approaches were investigated. Reversible solubilization of Fullerene (C60) in fluorous media by Diels-Alder addition to perfluoroalkylated 1,3-cyclopentadiene was shown to be an unsuitable system, because the Diels-Alder addition of the fluorous diene was accompanied by extensive oxidation of the fullerene core, as revealed by MALDI-TOF data. Perfluoroalkyl substituted alpha and beta-cyclodextrins were synthesized and characterized. Host-guest properties of fluorous cyclodextrins synthesized were investigated in fluorous and mixed fluorous/organic media. The ability of fluorous cyclodextrins to complex small solvent molecules, perfluorocarbon chains and an azo-dye (4,4'-dihydroxyazobenzene) at homogeneous conditions was revealed. However, biphasic extraction of organic substrates by fluorous cyclodextrins from organic into fluorous phase has not been yet achieved.

  1. Interaction Mechanism Insights on the Solvation of Fullerene B(80)with Choline-based Ionic Liquids.

    Science.gov (United States)

    García, Gregorio; Atilhan, Mert; Aparicio, Santiago

    2015-09-24

    Beyond carbon allotropes, other nanostructures such as fullerene B80 are attracting a growing interest due to their potential applications. The use of new materials based on fullerene B80 is still in a premature stage; however many of these applications would require the use of B80 in solution. This paper reports an unprecedented density functional theory (DFT) analysis on the interaction mechanism between B80 and two choline-based ionic liquids as a first insight for the fullerene B80 solvation by ionic liquids. The analysis of properties such as binding energies, charge distributions or intermolecular interactions shed light on the main features, which should govern interaction between ionic liquids and fullerene B80. In addition, the optimization of systems composed by six ionic pairs around a fullerene B80 has supplied some information about the first solvation shell at the molecular level. As a summary, this paper provides the first insights in the rational design of ionic liquids with suitable properties for the solvation of B80.

  2. Fullerenes: An introduction and overview of their biological properties

    OpenAIRE

    Thakral Seema; Mehta R

    2006-01-01

    Ever since their experimental discovery in 1985, fullerenes have attracted considerable attention in different fields of sciences. Investigations of chemical, physical and biological properties of fullerenes have yielded promising information. Their unique carbon cage structure coupled with immense scope for derivatization makes fullerenes a potential therapeutic agent. Henceforth various potential therapeutic applications of fullerenes have been reviewed in the present paper. These include a...

  3. Comparison of Bond Character in Hydrocarbons and Fullerenes

    OpenAIRE

    Snoke, D. W.; Cardona, M.; Sanguinetti, S.; Benedek, G

    1996-01-01

    We present a comparison of the bond polarizabilities for carbon-carbon bonds in hydrocarbons and fullerenes, using two different models for the fullerene Raman spectrum and the results of Raman measurements on ethane and ethylene. We find that the polarizabilities for single bonds in fullerenes and hydrocarbons compare well, while the double bonds in fullerenes have greater polarizability than in ethylene.

  4. Hydration behaviour of polyhydroxylated fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Zavala, J G [Departamento de Ciencias Exactas y Tecnologicas, Centro Universitario de Los Lagos, Universidad de Guadalajara, Enrique Diaz de Leon S/N, 47460 Jalisco (Mexico); Barajas-Barraza, R E [Departamento de Matematicas y Fisica, Instituto Tecnologico y de Estudios Superiores de Occidente, Periferico Sur, Manuel Gomez MorIn No 8585, 45604 Jalisco (Mexico); Padilla-Osuna, I; Guirado-Lopez, R A, E-mail: jgrz@culagos.udg.mx, E-mail: ebarajas@iteso.mx, E-mail: ismael@ifisica.uaslp.mx, E-mail: guirado@ifisica.uaslp.mx [Instituto de Fisica ' Manuel Sandoval Vallarta' , Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, 78000 San Luis Potosi (Mexico)

    2011-10-28

    We have performed semi-empirical as well as density functional theory calculations in order to analyse the hydration properties of both bare C{sub 60} and highly hydroxylated C{sub 60}(OH){sub 26} fullerenes. In all of our calculations, a total of 42 and 98 water molecules are always surrounding our here-considered carbon nanostructures. We found different wetting properties as a function of the chemical composition and structure of the OH-molecular over-layer covering the fullerene surface. In the case of bare C{sub 60}, water adsorption reveals that the H{sub 2}O species are not uniformly arranged around the carbon network but rather forms water droplets of different sizes, clearly revealing the hydrophobic nature of the C{sub 60} structure. In contrast, in the polyhydroxylated C{sub 60}(OH){sub 26} fullerenes, the degree of wetting is strongly influenced by the precise location of the hydroxyl groups. We found that different adsorbed configurations for the OH-molecular coating can lead to the formation of partially hydrated or completely covered C{sub 60}(OH){sub 26} compounds, a result that could be used to synthesize fullerene materials with different degrees of wettability. By comparing the relative stability of our hydroxylated structures in both bare and hydrated conditions we obtain that the energy ordering of the C{sub 60}(OH){sub 26} isomers can change in the presence of water. The radial distribution function of our hydrated fullerenes reveals that water near these kinds of surfaces is densely packed. In fact, by counting the number of H{sub 2}O molecules which are adsorbed, by means of hydrogen bonds, to the surface of our more stable C{sub 60}(OH){sub 26} isomer, we found that it varies in the range of 5-10, in good agreement with experiments. Finally, by comparing the calculated optical absorption spectra of various C{sub 60}(OH){sub 26} structures in the presence and absence of water molecules, we note that only slight variations in the position and

  5. Theory of Spontaneous Polarization of Endohedral Fullerenes

    OpenAIRE

    Clougherty, Dennis P.; Anderson, Frederick G.

    1997-01-01

    A pseudo-Jahn-Teller model describing central atom distortions is proposed for endohedral fullerenes of the form A@C$_{60}$ where A is either a rare gas or a metal atom. A critical (dimensionless) coupling $g_c$ is found, below which the symmetric configuration is stable and above which inversion symmetry is broken. Vibronic parameters are given for selected endohedral fullerenes.

  6. Synthesis of [60]Fullerene-Podophyllotoxin Derivative

    Institute of Scientific and Technical Information of China (English)

    GUO,Li-Wei(郭礼伟); GAO,Xiang(高翔); ZHANG,Dan-Wei(张丹维); WU,Shi-Hui(吴世晖); WU,Hou-Ming(吴厚铭)

    2002-01-01

    The [60]fullerene-podophyllotoxin derivative (3) was obtained by the phosphine promeoted[2 + 3]cycloaddition reaction ofpodophyllotoxin buta-2,3-dienoate (2) and [60]fullerene. The structures of starting mateerial (2) and product (3) were confirmed by UV-vis, IR, NMR and MS spectroscopies.

  7. The first stable lower fullerene: C36

    Science.gov (United States)

    Piskoti, C.; Zettl, A.

    1998-08-01

    A new pure carbon material, presumably composed of thirty six carbon atom molecules, has been synthesized and isolated in milligram quantities. It appears as though these molecules have a closed cage structure making them the smallest member of a new class of molecules known as fullerenes, most notably of which is the soccer ball shaped C60. However, unlike other known fullerenes, any closed, fullerene-like C36 cage will necessarily contain fused pentagon rings. Therefore, this molecule apparently violates the isolated pentagon rule, a criterion which requires isolated pentagons for stability in fullerene molecules. Striking parallels between this problem and the synthesis of other fused five member fused ring systems will be discussed. Also, it will be shown that certain biological structures known as clathrin behave in a manner which gives excellent predictions about fullerenes and nanotubes. These predictions help to explain the presence of abundant quantities of C36 in arced graphite soot.

  8. The first stable lower fullerene: C36

    International Nuclear Information System (INIS)

    A new pure carbon material, presumably composed of thirty six carbon atom molecules, has been synthesized and isolated in milligram quantities. It appears as though these molecules have a closed cage structure making them the smallest member of a new class of molecules known as fullerenes, most notably of which is the soccer ball shaped C60. However, unlike other known fullerenes, any closed, fullerene-like C36 cage will necessarily contain fused pentagon rings. Therefore, this molecule apparently violates the isolated pentagon rule, a criterion which requires isolated pentagons for stability in fullerene molecules. Striking parallels between this problem and the synthesis of other fused five member fused ring systems will be discussed. Also, it will be shown that certain biological structures known as clathrin behave in a manner which gives excellent predictions about fullerenes and nanotubes. These predictions help to explain the presence of abundant quantities of C36 in arced graphite soot. copyright 1998 American Institute of Physics

  9. Density functional study of the electronic structure of dye-functionalized fullerenes and their model donor-acceptor complexes containing P3HT

    Science.gov (United States)

    Baruah, Tunna; Garnica, Amanda; Paggen, Marina; Basurto, Luis; Zope, Rajendra R.

    2016-04-01

    We study the electronic structure of C60 fullerenes functionalized with a thiophene-diketo-pyrrolopyrrole-thiophene based chromophore using density functional theory combined with large polarized basis sets. As the attached chromophore has electron donor character, the functionalization of the fullerene leads to a donor-acceptor (DA) system. We examine in detail the effect of the linker and the addition site on the electronic structure of the functionalized fullerenes. We further study the electronic structure of these DA complexes with a focus on the charge transfer excitations. Finally, we examine the interface of the functionalized fullerenes with the widely used poly(3-hexylthiophene-2,5-diyl) (P3HT) donor. Our results show that all functionalized fullerenes with an exception of the C60-pyrrolidine [6,6], where the pyrrolidine is attached at a [6,6] site, have larger electron affinities relative to the pristine C60 fullerene. We also estimate the quasi-particle gap, lowest charge transfer excitation energy, and the exciton binding energies of the functionalized fullerene-P3MT model systems. Results show that the exciton binding energies in these model complexes are slightly smaller compared to a similarly prepared phenyl-C61-butyric acid methyl ester (PCBM)-P3MT complex.

  10. Inhibition of inflammatory arthritis using fullerene nanomaterials.

    Directory of Open Access Journals (Sweden)

    Anthony L Dellinger

    Full Text Available Inflammatory arthritis (e.g. rheumatoid arthritis; RA is a complex disease driven by the interplay of multiple cellular lineages. Fullerene derivatives have previously been shown to have anti-inflammatory capabilities mediated, in part, by their ability to prevent inflammatory mediator release by mast cells (MC. Recognizing that MC can serve as a cellular link between autoantibodies, soluble mediators, and other effector populations in inflammatory arthritis, it was hypothesized that fullerene derivatives might be used to target this inflammatory disease. A panel of fullerene derivatives was tested for their ability to affect the function of human skin-derived MC as well as other lineages implicated in arthritis, synovial fibroblasts and osteoclasts. It is shown that certain fullerene derivatives blocked FcγR- and TNF-α-induced mediator release from MC; TNF-α-induced mediator release from RA synovial fibroblasts; and maturation of human osteoclasts. MC inhibition by fullerene derivatives was mediated through the reduction of mitochondrial membrane potential and FcγR-mediated increases in cellular reactive oxygen species and NF-κB activation. Based on these in vitro data, two fullerene derivatives (ALM and TGA were selected for in vivo studies using K/BxN serum transfer arthritis in C57BL/6 mice and collagen-induced arthritis (CIA in DBA/1 mice. Dye-conjugated fullerenes confirmed localization to affected joints in arthritic animals but not in healthy controls. In the K/BxN moldel, fullerenes attenuated arthritis, an effect accompanied by reduced histologic inflammation, cartilage/bone erosion, and serum levels of TNF-α. Fullerenes remained capable of attenuating K/BxN arthritis in mast cell-deficient mice Cre-Master mice, suggesting that lineages beyond the MC represent relevant targets in this system. These studies suggest that fullerene derivatives may hold promise both as an assessment tool and as anti-inflammatory therapy of arthritis.

  11. Clar Structure and Fries Set of Fullerenes and (4,6-Fullerenes on Surfaces

    Directory of Open Access Journals (Sweden)

    Yang Gao

    2014-01-01

    Full Text Available Fowler and Pisanski showed that the Fries number for a fullerene on surface Σ is bounded above by |V|/3, and fullerenes which attain this bound are exactly the class of leapfrog fullerenes on surface Σ. We showed that the Clar number of a fullerene on surface Σ is bounded above by (|V|/6-χ(Σ, where χ(Σ stands for the Euler characteristic of Σ. By establishing a relation between the extremal fullerenes and the extremal (4,6-fullerenes on the sphere, Hartung characterized the fullerenes on the sphere S0 for which Clar numbers attain (|V|/6-χ(S0. We prove that, for a (4,6-fullerene on surface Σ, its Clar number is bounded above by (|V|/6+χ(Σ and its Fries number is bounded above by (|V|/3+χ(Σ, and we characterize the (4,6-fullerenes on surface Σ attaining these two bounds in terms of perfect Clar structure. Moreover, we characterize the fullerenes on the projective plane N1 for which Clar numbers attain (|V|/6-χ(N1 in Hartung’s method.

  12. CHARACTERIZATION OF FULLERENE DERIVATIVES BY MALDI FRAGMENT MASS SPECTRA

    OpenAIRE

    Milman, B. L.; Piotrovsky, L. B.; Nikolaev, D. N.; Dumpis, M. A.; LITASOVA E.V.; LUGOVKINA N.V.

    2014-01-01

    MALDI and MALDI LIFT-TOF/TOF mass spectra of fullerene C60 and five its derivatives,  methano[60]fullerene carboxylic acid, its ethyl ester, diethyl methano[60]fullerene dicarboxylate, and two isomeric tetraethyl bis-methano[60]fullerene tetracarboxylates (compounds I-VI, respectively) as model analytes were recorded and discussed. The technique of MALDI LIFT used in mass spectrometry of fullerenes for the first time is proposed for their characterization, structure elucidation, and non-targe...

  13. Determining the optimum morphology in high-performance polymer-fullerene organic photovoltaic cells.

    Science.gov (United States)

    Hedley, Gordon J; Ward, Alexander J; Alekseev, Alexander; Howells, Calvyn T; Martins, Emiliano R; Serrano, Luis A; Cooke, Graeme; Ruseckas, Arvydas; Samuel, Ifor D W

    2013-01-01

    The morphology of bulk heterojunction organic photovoltaic cells controls many of the performance characteristics of devices. However, measuring this morphology is challenging because of the small length-scales and low contrast between organic materials. Here we use nanoscale photocurrent mapping, ultrafast fluorescence and exciton diffusion to observe the detailed morphology of a high-performance blend of PTB7:PC71BM. We show that optimized blends consist of elongated fullerene-rich and polymer-rich fibre-like domains, which are 10-50 nm wide and 200-400 nm long. These elongated domains provide a concentration gradient for directional charge diffusion that helps in the extraction of charge pairs with 80% efficiency. In contrast, blends with agglomerated fullerene domains show a much lower efficiency of charge extraction of ~45%, which is attributed to poor electron and hole transport. Our results show that the formation of narrow and elongated domains is desirable for efficient bulk heterojunction solar cells.

  14. Rare Earth Oxide-Treated Fullerene and Titania Composites with Enhanced Photocatalytic Activity for the Degradation of Methylene Blue

    Institute of Scientific and Technical Information of China (English)

    MENG Zada; ZHU Lei; CHOI Jong-geun; PARK Chong-yeon; OH Won-chun

    2011-01-01

    Rare earth oxide-treated fullerene and titania composites (Y-fullerene/TiO2) were prepared by the sol-gel method.The products had interesting surface compositions.X-ray diffraction patterns of the composites showed that the Y-fullerene/TiO2 composites contained a single and clear anatase phase.The surface properties were observed by scanning electron microscopy,which gave a characterization of the texture on the Y-fullerene/TiO2 composites and showed a homogenous distribution of titanium particles.The energy-dispersive X-ray spectra showed the presence of C and Ti with strong Y peaks.The composite obtained was also characterized with transmission electron microscopy and UV-Vis spectroscopy.The photocatalytic results showed that the y-fullerene/TiO2 composites had excellent activity for the degradation of methylene blue under visible light irradiation.This was attributed to both the effects on the photocatalysis of the supported TiO2 by charge transfer by the fullerene,and the introduction of yttrium to enhance photo-generated electron transfer.

  15. Nitric oxide adsorption on non-stoichiometric boron nitride fullerene: Structural stability, physicochemistry and drug delivery perspectives

    Science.gov (United States)

    Chigo-Anota, E.; Escobedo-Morales, A.; Hernández-Cocoletzi, H.; López y López, J. G.

    2015-11-01

    The structural stability and physicochemical properties of the N-rich BN fullerene, B24N36, have been analyzed by means of the density functional theory at the level of the generalized gradient approximation. For this purpose, the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid density functional and the 6-31G(d) basis set were used. The results indicate that the B24N36 fullerene is stable and behaves as a semiconductor compound. It has been found that while the polarity of the B24N36 fullerene is comparable with that of C60 fullerene, its chemical reactivity is notoriously higher. The spatial charge distribution of the BN fullerene allows nitric oxide adsorption, without compromising structural stability. Although the interaction between the NO molecule and BN fullerene is through van der Waals forces (dipole-dipole attraction), it has strong influence on the dipole moment, vibrational modes, HOMO-LUMO gap and work function energy; suggesting that this nanostructure could be used as a molecular sensor or drug carrier with enhanced bioavailability.

  16. Characterization of the polymer energy landscape in polymer:fullerene bulk heterojunctions with pure and mixed phases

    KAUST Repository

    Sweetnam, Sean

    2014-10-08

    Theoretical and experimental studies suggest that energetic offsets between the charge transport energy levels in different morphological phases of polymer:fullerene bulk heterojunctions may improve charge separation and reduce recombination in polymer solar cells (PSCs). In this work, we use cyclic voltammetry, UV-vis absorption, and ultraviolet photoelectron spectroscopy to characterize hole energy levels in the polymer phases of polymer:fullerene bulk heterojunctions. We observe an energetic offset of up to 150 meV between amorphous and crystalline polymer due to bandgap widening associated primarily with changes in polymer conjugation length. We also observe an energetic offset of up to 350 meV associated with polymer:fullerene intermolecular interactions. The first effect has been widely observed, but the second effect is not always considered despite being larger in magnitude for some systems. These energy level shifts may play a major role in PSC performance and must be thoroughly characterized for a complete understanding of PSC function.

  17. Adsorption Mechanism of Hydrogen on Boron-Doped Fullerenes

    Institute of Scientific and Technical Information of China (English)

    YU Liu-Min; SHI Guo-Sheng; WANG Zhi-Gang; JI Guang-Fu; LU Zhi-Peng

    2009-01-01

    The C35BH-H2 complex and two other possible isomers,C34BCαH-H2 and C34BCbH-H2,are investigated using the local-spin-density approximation (LSDA) method.The results indicate that a single hydrogen molecule could be strongly adsorbed on two isomers,C34BCaH and C34BCbH,with binding energies of 0.42 and 0.47eV,respectively,and that these calculated binding energies are suitable for reversible hydrogen adsorption/desorption near room temperature.However,it is difficult for the H2 molecule to be firmly adsorbed on C35BH.We analyze the interaction between C34BCxH (x = a,b) and the H2 molecule using dipole moments and molecular orbitals.The charge analysis showed there was a partial charge (about 0.32e)transfer from H2 to the doped fullerenes.These calculation results should broaden our understanding of the mechanisms of hydrogen storage using borondoped fullerenes.

  18. [2]Catenanes decorated with porphyrin and [60]fullerene groups: design, convergent synthesis, and photoinduced processes.

    Science.gov (United States)

    Megiatto, Jackson D; Schuster, David I; Abwandner, Silke; de Miguel, Gustavo; Guldi, Dirk M

    2010-03-24

    A new class of [2]catenanes containing zinc(II)-porphyrin (ZnP) and/or [60]fullerene (C(60)) as appended groups has been prepared. A complete description of the convergent synthetic approach based on Cu(I) template methodology and "click" 1,3-dipolar cycloaddition chemistry is described. This new electron donor-acceptor catenane family has been subjected to extensive spectroscopic, computational, electrochemical and photophysical studies. (1)H NMR spectroscopy and computational analysis have revealed that the ZnP-C(60)-[2]catenane adopts an extended conformation with the chromophores as far as possible from each other. A detailed photophysical investigation has revealed that upon irradiation the ZnP singlet excited state initially transfers energy to the (phenanthroline)(2)-Cu(I) complex core, producing a metal-to-ligand charge transfer (MLCT) excited state, which in turn transfers an electron to the C(60) group, generating the ZnP-[Cu(phen)(2)](2+)-C(60)(*-) charge-separated state. A further charge shift from the [Cu(phen)(2)](2+) complex to the ZnP subunit, competitive with decay to the ground state, leads to the isoenergetic long distance ZnP(*+)-[Cu(phen)(2)](+)-C(60)(*-) charge-separated radical pair state, which slowly decays back to the ground state on the microsecond time scale. The slow rate of back-electron transfer indicates that in this interlocked system, as in previously studied covalently linked ZnP-C(60) hybrid materials, this process occurs in the Marcus-inverted region.

  19. Fusion mechanism in fullerene-fullerene collisions -- The deciding role of giant oblate-prolate motion

    CERN Document Server

    Handt, Jan

    2015-01-01

    We provide answers to long-lasting questions in the puzzling behavior of fullerene-fullerene fusion: Why are the fusion barriers so exceptionally high and the fusion cross sections so extremely small? An ab initio nonadiabatic quantum molecular dynamics (NA-QMD) analysis of C$_{60}$+C$_{60}$ collisions reveals that the dominant excitation of an exceptionally "giant" oblate-prolate H$_g(1)$ mode plays the key role in answering both questions. From these microscopic calculations, a macroscopic collision model is derived, which reproduces the NA-QMD results. Moreover, it predicts analytically fusion barriers for different fullerene-fullerene combinations in excellent agreement with experiments.

  20. Crystalline Fullerenes. Round Pegs in Square Holes

    OpenAIRE

    Fleming, R. M.; Hessen, B.; Siegrist, T.; Kortan, A.R.; Marsh, P; Tycko, R.; Dabbagh, G.; Haddon, R C

    1992-01-01

    The fullerenes C60 and C70 act as spherical building blocks in crystalline solids to form a variety of crystal structures. In many cases, the icosahedral molecular symmetry of C60 appears to play little role in determining the crystal structure. In this chapter we discuss our results on the crystallography of pure and solvated fullerenes and some general features of fullerenes as building units in crystalline solids. For pure C60 or C70, the face-centered cubic arrangement is preferred. In so...

  1. Creation and destruction of C{sub 60} and other fullerene solids. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Huffman, D.R.

    1996-06-05

    The 1990 announcement of the Huffman-Kratschmer fullerene-production technique set off a world-wide explosion of research into the properties and potential applications of C{sub 60} and C{sub 70}. In the last five years, 4,000+ fullerene articles have appeared in the scientific literature dealing with these fascinating molecules and their condensed phases. They possess a complex chemistry reminiscent of the alkenes, and this has led to the syntheses of numerous new compounds and fullerene-based materials, with suggested applications ranging from medicine to photo-conducting polymers to rocket fuel. The work summarized in this report focused on the creation and destruction of fullerene-based materials, for the purpose of producing new materials of interest. This three year project was supported by a grant from the Advanced Energy Projects Division, Office of Basic Energy Sciences, U.S. Department of Energy (DE-FG03-93ER12133). Following are outlines of the work completed in each of the three years, a section devoted to the professional and educational development of those involved, a brief section on the outlook for fullerene-based materials, and an appendix listing the publications resulting from this project.

  2. Photoionization of the fullerene ion C60+

    OpenAIRE

    Polozkov, R. G.; Ivanov, V. K.; Solov'yov, A. V.

    2004-01-01

    Photoionization cross section of the fullerene ion C60+ has been calculated within a single-electron approximation and also by using a consistent many-body theory accounting for many-electron correlations.

  3. On the sextet polynomial of fullerenes

    OpenAIRE

    Sereni, Jean-Sébastien; Stehlík, Matej

    2010-01-01

    International audience We show that the sextet pattern count of every fullerene is strictly smaller than the Kekulé structure count. This proves a conjecture of Zhang and He [J Math Chem 38(3):315-324 (2005)].

  4. Characterizing Fullerene Nanoparticles in Aqueous Suspensions

    Science.gov (United States)

    Studies have indicated that fullerenes can form stable colloidal suspensions in water when introduced to the aqueous phase through solvent exchange, sonication, or extended mixing. The colloidal suspensions created using these techniques have effective aqueous phase concentratio...

  5. Nanosystems of Polymerized Fullerenes and Carbon Nanotubes

    Science.gov (United States)

    Scharff, Peter; Cui, Shen

    Nanosystems based on polymerized fullerenes and carbon-nanotubes begin to play an important role in the field of nanotechnology. Nanotubes can be used as molecular wires, and can even figure as building elements for molecular electronics. Furthermore nanotubes can be used as amplifiers in composite materials, as a result of their unique mechanical properties. Many other applications, as for example as electron emitters for flat screens, are currently under development. Fullerens are known to be strong electron acceptors, which enables them to support the electron-hole pair separation in polymer based photovoltaic cells. The use of fulleren chains instead of fullerenes could improve the anisotropic electronic conductivity in the contained polymer layer, and therefore enhance their performance.

  6. Fullerene-Related Nanocarbons and Their Applications

    DEFF Research Database (Denmark)

    Geng, Junfeng; Miyazawa, Kun'ichi; Hu, Zheng;

    2012-01-01

    . From the vast amount of research that has been conducted over the last two decades, it is now apparent that these nanomaterials, notably, carbon nanotubes, carbon-based nanoparticles, graphene, fullerene and fullerene derivatives promise very distinct applications and will add great value to industries....... It is thus expected that the studies on these nanocarbons and related technologies will have huge impacts on future nanotechnology and will significantly contribute to our economy and society....

  7. Water-soluble fullerenes for medical applications

    OpenAIRE

    Rašović, I

    2016-01-01

    Research on fullerenes occupies a unique position in the scientific arena. Synthesis and characterisation of this nanomaterial blur the line between materials science and chemistry; careful tuning of the processing methods gives birth to a whole family of molecules and their functionalised derivatives, whose unusual properties at this nanoscopic scale can be exploited in cutting-edge technological applications. This review focuses on the functionalisation of fullerenes for use in medical appl...

  8. Amphiphilic Fullerenes for Biomedical and Optoelectronical Applications

    OpenAIRE

    Witte, Patrick

    2009-01-01

    Fullerenes have an enormous potential in applications to physics and biology. Specifically [60]fullerene with its unique electronic, optical and structural properties has attracted considerable attention for its application in biomedical materials and optoelectronic devices. In this context the selective functionalization of C60, which allows to combine the parent properties with new attributes like water-solubility or amphiphilicity is still a challenging topic for the synthetic chemist. In ...

  9. Structure-Property Relations in Polymer:Fullerene Blends for Organic Solar Cells.

    Science.gov (United States)

    Banerji, Natalie

    2016-01-01

    Organic solar cells consist of thin films combining an electron donor (often a conjugated polymer) with an electron acceptor (often a fullerene derivative), in a blend commonly referred to as bulk heterojunction material. Charge separation between the donor and the acceptor leads to the generation of carriers, which can be extracted from photovoltaic devices in the form of photocurrent. The generation mechanism of free, extractable charges has caused a lot of controversial discussion in literature. Our research has shown that all the steps involved in charge generation are strongly dependent on the arrangement of the donor and the acceptor (i.e. the structure) of the bulk heterojunction. PMID:27561613

  10. Carbon nanomaterials: Biologically active fullerene derivatives.

    Science.gov (United States)

    Bogdanović, Gordana; Djordjević, Aleksandar

    2016-01-01

    Since their discovery, fullerenes, carbon nanotubes, and graphene attract significant attention of researches in various scientific fields including biomedicine. Nano-scale size and a possibility for diverse surface modifications allow carbon nanoallotropes to become an indispensable nanostructured material in nanotechnologies, including nanomedicine. Manipulation of surface chemistry has created diverse populations of water-soluble derivatives of fullerenes, which exhibit different behaviors. Both non-derivatized and derivatized fullerenes show various biological activities. Cellular processes that underline their toxicity are oxidative, genotoxic, and cytotoxic responses.The antioxidant/cytoprotective properties of fullerenes and derivatives have been considered in the prevention of organ oxidative damage and treatment. The same unique physiochemical properties of nanomaterials may also be associated with potential health hazards. Non-biodegradability and toxicity of carbon nanoparticles still remain a great concern in the area of biomedical application. In this review, we report on basic physical and chemical properties of carbon nano-clusters--fullerenes, nanotubes, and grapheme--their specificities, activities, and potential application in biological systems. Special emphasis is given to our most important results obtained in vitro and in vivo using polyhydroxylated fullerene derivative C₆₀(OH)₂₄. PMID:27483572

  11. Charge injection properties of iridium oxide films produced on Ti-6Al-4V alloy substrates by ion-beam mixing techniques

    Energy Technology Data Exchange (ETDEWEB)

    Williams, J.M. (Oak Ridge National Lab., TN (United States)); Lee, I-S.; Buchanan, R.A. (Tennessee Univ., Knoxville, TN (United States))

    1991-10-01

    The charge injection capabilities of iridium oxide films, as produced on Ti6Al-4V alloy substrates by ion beam mixing techniques, have been investigated. Iridium oxide is a valence change oxide, and therefore has high values of charge injection density upon voltage cycling in electrolytes. Because of this property, iridium oxide films are useful as working elements in neural prostheses. Iridium films of three thicknesses, produced by sputter deposition followed by ion beam mixing, were tested in cyclic voltammetry out to 1000 cycles or more. Two surface preparations, mechanical polishing and an acid passivation treatment, were also used as controls. Surface analysis was primarily by Rutherford backscattering spectrometry. Both the ion- beam mixing and the acid pretreatment increased the lifetimes of films, in comparison with the mechanically polished standards. Reductions in charge injection capability, when they occurred, were attributed to loss of Ir from the films, and there was a close correlation between the charge injection density and the Ir inventory. 13 refs., 5 figs.

  12. Ultrafast dynamics in blends of π-conjugated polymers/fullerenes

    Science.gov (United States)

    Singh, Sanjeev; Tong, Minghong; Sheng, Chuanxiang; Vardeny, Zeev

    2008-03-01

    We have studied the ultrafast dynamics of photogenerated charges and excitons in a variety of π-conjugated polymer/fullerene blends using the transient pump-probe photomodulation (PM) spectroscopy with ˜ 100 fs resolution. These composites serve as active layers in organic photovoltaic devices with high power conversion quantum yield, due to the existence of a photoinduced charge transfer (PCT) reaction between the polymer and the fullerene molecules. Our transient PM spectrum spans a broad energy range from 0.1-2.4 eV, and this allows us to monitor the transient behavior of the various photoinduced absorption (PA) bands of polarons and excitons in the PM spectrum; as well as the transient exciton stimulated emission, and photobleaching (PB) of the ground state. The PB dynamics reflect the ground state recovery; hence, it can be used to determine the long-lived polaron photogeneration quantum efficiency in these systems.

  13. Ubiquitous diffraction resonances in positronium formation from fullerenes

    CERN Document Server

    Hervieux, Paul-Antoine; Chakraborty, Himadri S

    2016-01-01

    Due to the dominant electron capture by positrons from the molecular wall and the spatial dephasing across the wall-width, a powerful diffraction effect universally underlies the positronium (Ps) formation from fullerenes. This results into trains of resonances in the Ps formation cross section as a function of the positron beam energy, producing uniform structures in recoil momenta in analogy with classical single-slit diffraction fringes in the configuration space. The prediction opens a hitherto unknown avenue of Ps spectroscopy with nanomaterials.

  14. Fullerene photoemission time delay explores molecular cavity in attoseconds

    CERN Document Server

    Magrakvelidze, Maia; Dixit, Gopal; Madjet, Mohamed El-Amine; Chakraborty, Himadri S

    2014-01-01

    Time-resolved photoelectron spectroscopy can probe interference oscillations in C60 valence emissions that produce series of minima whose energy separation depends on the molecular size. We show that the quantum phase associated with these minima exhibits rapid variations due to electron correlations, causing rich structures in the photoemission time delay. These findings provide a way to utilize temporal information to access the fullerene cavity size, that is making the time to "see" the space, and can be generalized to photoemissions from clusters and nanostructures.

  15. Recent advances in fullerene superconductivity

    CERN Document Server

    Margadonna, S

    2002-01-01

    Superconducting transition temperatures in bulk chemically intercalated fulleride salts reach 33 K at ambient pressure and in hole-doped C sub 6 sub 0 derivatives in field-effect-transistor (FET) configurations, they reach 117 K. These advances pose important challenges for our understanding of high-temperature superconductivity in these highly correlated organic metals. Here we review the structures and properties of intercalated fullerides, paying particular attention to the correlation between superconductivity and interfullerene separation, orientational order/disorder, valence state, orbital degeneracy, low-symmetry distortions, and metal-C sub 6 sub 0 interactions. The metal-insulator transition at large interfullerene separations is discussed in detail. An overview is also given of the exploding field of gate-induced superconductivity of fullerenes in FET electronic devices.

  16. Ab initio quantum chemical studies of fullerene molecules with substitutes C59X [XSi, Ge, Sn], C59X- [XB, Al, Ga, In], and C59X [XN, P, As, Sb

    Science.gov (United States)

    Simeon, Tomekia M.; Yanov, Ilya; Leszczynski, Jerzy

    This article presents the results of systematic ab initio quantum chemical study of charged and neutral analogues of fullerene molecules: C59X[XSi, Ge, Sn], C59X- [XB, Al, Ga, In], and C59X+ [XN, P, As, Sb]. Hartree-Fock (HF) and density functional theory (DFT) levels of theory with Stuttgart-Dresden basis set were used to investigate the structure and properties of substituted fullerene molecules. A replacement of fullerene carbon atom with a heteroatom results in a unique chemical site on the fullerene surface, which may be used as a reactive center or to modify the electronic properties. We show the possibility of utilization of substituted fullerenes as atom-like building units. Heteroatom substitution allows the tuning of the physical and chemical properties of original molecule for different material science and nanotechnology applications.

  17. A density functional reactivity theory (DFRT) based approach to understand the effect of symmetry of fullerenes on the kinetic, thermodynamic and structural aspects of carbon NanoBuds

    Science.gov (United States)

    Sarmah, Amrit; Roy, Ram Kinkar

    2016-06-01

    In the present study, we have rationalized the effect of variation in the symmetry of relatively smaller fullerene (C32) on the mode of its interaction with semi-conducting Single-Walled Carbon Nanotubes (SWCNTs) in the process of formation of stable hybrid carbon NanoBuds. Thermodynamic and kinetic parameters, along with the charge transfer values associated with the interaction between fullerene and SWCNTs, have been evaluated using an un-conventional and computationally cost-effective method based on density functional reactivity theory (DFRT). In addition to this, conventional DFT based studies are also performed to substantiate the growth of NanoBud structures formed by the interaction between fullerene and SWCNTs. The findings of the present study suggest that the kinetic, thermodynamic and structural aspects of hybrid carbon NanoBuds are significantly influenced by both the symmetry of C32 fullerene and its site of covalent attachment to the SWCNT.

  18. Electronic structure evolution in doping of fullerene (C{sub 60}) by ultra-thin layer molybdenum trioxide

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chenggong; Wang, Congcong; Kauppi, John [Department of Physics and Astronomy, University of Rochester, Rochester, New York 14627 (United States); Liu, Xiaoliang [Institute for Super-microstructure and Ultrafast Process in Advanced Materials (ISUPAM), Central South University, Changsha, Hunan 410083 (China); Gao, Yongli, E-mail: ygao@pas.rochester.edu [Department of Physics and Astronomy, University of Rochester, Rochester, New York 14627 (United States); Institute for Super-microstructure and Ultrafast Process in Advanced Materials (ISUPAM), Central South University, Changsha, Hunan 410083 (China)

    2015-08-28

    Ultra-thin layer molybdenum oxide doping of fullerene has been investigated using ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). The highest occupied molecular orbital (HOMO) can be observed directly with UPS. It is observed that the Fermi level position in fullerene is modified by ultra-thin-layer molybdenum oxide doping, and the HOMO onset is shifted to less than 1.3 eV below the Fermi level. The XPS results indicate that charge transfer was observed from the C{sub 60} to MoO{sub x} and Mo{sup 6+} oxides is the basis as hole dopants.

  19. Solution-processed, molecular photovoltaics that exploit hole transfer from non-fullerene, n-type materials

    KAUST Repository

    Douglas, Jessica D.

    2014-05-12

    Solution-processed organic photovoltaic devices containing p-type and non-fullerene n-type small molecules obtain power conversion efficiencies as high as 2.4%. The optoelectronic properties of the n-type material BT(TTI-n12)2 allow these devices to display high open-circuit voltages (>0.85 V) and generate significant charge carriers through hole transfer in addition to the electron-transfer pathway, which is common in fullerene-based devices. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Fullerene surfactants and their use in polymer solar cells

    Science.gov (United States)

    Jen, Kwan-Yue; Yip, Hin-Lap; Li, Chang-Zhi

    2015-12-15

    Fullerene surfactant compounds useful as interfacial layer in polymer solar cells to enhance solar cell efficiency. Polymer solar cell including a fullerene surfactant-containing interfacial layer intermediate cathode and active layer.

  1. Production of Endohedral Fullerenes by Ion Implantation

    Energy Technology Data Exchange (ETDEWEB)

    Diener, M.D.; Alford, J. M.; Mirzadeh, S.

    2007-05-31

    The empty interior cavity of fullerenes has long been touted for containment of radionuclides during in vivo transport, during radioimmunotherapy (RIT) and radioimaging for example. As the chemistry required to open a hole in fullerene is complex and exceedingly unlikely to occur in vivo, and conformational stability of the fullerene cage is absolute, atoms trapped within fullerenes can only be released during extremely energetic events. Encapsulating radionuclides in fullerenes could therefore potentially eliminate undesired toxicity resulting from leakage and catabolism of radionuclides administered with other techniques. At the start of this project however, methods for production of transition metal and p-electron metal endohedral fullerenes were completely unknown, and only one method for production of endohedral radiofullerenes was known. They therefore investigated three different methods for the production of therapeutically useful endohedral metallofullerenes: (1) implantation of ions using the high intensity ion beam at the Oak Ridge National Laboratory (ORNL) Surface Modification and Characterization Research Center (SMAC) and fullerenes as the target; (2) implantation of ions using the recoil energy following alpha decay; and (3) implantation of ions using the recoil energy following neutron capture, using ORNL's High Flux Isotope Reactor (HFIR) as a thermal neutron source. While they were unable to obtain evidence of successful implantation using the ion beam at SMAC, recoil following alpha decay and neutron capture were both found to be economically viable methods for the production of therapeutically useful radiofullerenes. In this report, the procedures for preparing fullerenes containing the isotopes {sup 212}Pb, {sup 212}Bi, {sup 213}Bi, and {sup 177}Lu are described. None of these endohedral fullerenes had ever previously been prepared, and all of these radioisotopes are actively under investigation for RIT. Additionally, the chemistry for

  2. Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

    International Nuclear Information System (INIS)

    Fullerene C60 sub-colloidal particle with diameter ∼1 nm represents a boundary case between small and large hydrophobic solutes on the length scale of hydrophobic hydration. In the present paper, a molecular dynamics simulation is performed to investigate this complex phenomenon for bare C60 fullerene and its amphiphilic/charged derivatives, so called shape amphiphiles. Since most of the unique properties of water originate from the pattern of hydrogen bond network and its dynamics, spatial, and orientational aspects of water in solvation shells around the solute surface having hydrophilic and hydrophobic regions are analyzed. Dynamical properties such as translational-rotational mobility, reorientational correlation and occupation time correlation functions of water molecules, and diffusion coefficients are also calculated. Slower dynamics of solvent molecules—water retardation—in the vicinity of the solutes is observed. Both the topological properties of hydrogen bond pattern and the “dangling” –OH groups that represent surface defects in water network are monitored. The fraction of such defect structures is increased near the hydrophobic cap of fullerenes. Some “dry” regions of C60 are observed which can be considered as signatures of surface dewetting. In an effort to provide molecular level insight into the thermodynamics of hydration, the free energy of solvation is determined for a family of fullerene particles using thermodynamic integration technique

  3. Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions: A Combined EPR and DFT Study.

    Science.gov (United States)

    Mardis, Kristy L; Webb, Jeremy N; Holloway, Tarita; Niklas, Jens; Poluektov, Oleg G

    2015-12-01

    Organic photovoltaic (OPV) devices are a promising alternative energy source. Attempts to improve their performance have focused on the optimization of electron-donating polymers, while electron-accepting fullerenes have received less attention. Here, we report an electronic structure study of the widely used soluble fullerene derivatives PC61BM and PC71BM in their singly reduced state, that are generated in the polymer:fullerene blends upon light-induced charge separation. Density functional theory (DFT) calculations characterize the electronic structures of the fullerene radical anions through spin density distributions and magnetic resonance parameters. The good agreement of the calculated magnetic resonance parameters with those determined experimentally by advanced electron paramagnetic resonance (EPR) allows the validation of the DFT calculations. Thus, for the first time, the complete set of magnetic resonance parameters including directions of the principal g-tensor axes were determined. For both molecules, no spin density is present on the PCBM side chain, and the axis of the largest g-value lies along the PCBM molecular axis. While the spin density distribution is largely uniform for PC61BM, it is not evenly distributed for PC71BM. PMID:26569578

  4. Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

    Energy Technology Data Exchange (ETDEWEB)

    Varanasi, S. R., E-mail: s.raovaranasi@uq.edu.au, E-mail: guskova@ipfdd.de; John, A. [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Guskova, O. A., E-mail: s.raovaranasi@uq.edu.au, E-mail: guskova@ipfdd.de [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Dresden Center for Computational Materials Science (DCMS), Technische Universität Dresden, Dresden D-01069 (Germany); Sommer, J.-U. [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Dresden Center for Computational Materials Science (DCMS), Technische Universität Dresden, Dresden D-01069 (Germany); Institut für Theoretische Physik, Technische Universität Dresden, Zellescher Weg 17, Dresden D-01069 (Germany)

    2015-06-14

    Fullerene C{sub 60} sub-colloidal particle with diameter ∼1 nm represents a boundary case between small and large hydrophobic solutes on the length scale of hydrophobic hydration. In the present paper, a molecular dynamics simulation is performed to investigate this complex phenomenon for bare C{sub 60} fullerene and its amphiphilic/charged derivatives, so called shape amphiphiles. Since most of the unique properties of water originate from the pattern of hydrogen bond network and its dynamics, spatial, and orientational aspects of water in solvation shells around the solute surface having hydrophilic and hydrophobic regions are analyzed. Dynamical properties such as translational-rotational mobility, reorientational correlation and occupation time correlation functions of water molecules, and diffusion coefficients are also calculated. Slower dynamics of solvent molecules—water retardation—in the vicinity of the solutes is observed. Both the topological properties of hydrogen bond pattern and the “dangling” –OH groups that represent surface defects in water network are monitored. The fraction of such defect structures is increased near the hydrophobic cap of fullerenes. Some “dry” regions of C{sub 60} are observed which can be considered as signatures of surface dewetting. In an effort to provide molecular level insight into the thermodynamics of hydration, the free energy of solvation is determined for a family of fullerene particles using thermodynamic integration technique.

  5. Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions. A Combined EPR and DFT Study

    Energy Technology Data Exchange (ETDEWEB)

    Mardis, Kristy L. [Chicago State Univ., IL (United States); Webb, J. [Chicago State Univ., IL (United States); Holloway, Tarita [Chicago State Univ., IL (United States); Niklas, Jens [Argonne National Lab. (ANL), Argonne, IL (United States); Poluektov, Oleg G. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-11-16

    Organic photovoltaic (OPV) devices are a promising alternative energy source. Attempts to improve their performance have focused on the optimization of electron-donating polymers, while electron-accepting fullerenes have received less attention. Here, we report an electronic structure study of the widely used soluble fullerene derivatives PC61BM and PC71BM in their singly reduced state, that are generated in the polymer:fullerene blends upon light-induced charge separation. Density functional theory (DFT) calculations characterize the electronic structures of the fullerene radical anions through spin density distributions and magnetic resonance parameters. The good agreement of the calculated magnetic resonance parameters with those determined experimentally by advanced electron paramagnetic resonance (EPR) allows the validation of the DFT calculations. Thus, for the first time, the complete set of magnetic resonance parameters including directions of the principal g-tensor axes were determined. For both molecules, no spin density is present on the PCBM side chain, and the axis of the largest g-value lies along the PCBM molecular axis. While the spin density distribution is largely uniform for PC61BM, it is not evenly distributed for PC71BM.

  6. Fullerene mixing effect on carrier formation in bulk-hetero organic solar cell

    Science.gov (United States)

    Moritomo, Yutaka; Yasuda, Takeshi; Yonezawa, Kouhei; Sakurai, Takeaki; Takeichi, Yasuo; Suga, Hiroki; Takahashi, Yoshio; Inami, Nobuyuki; Mase, Kazuhiko; Ono, Kanta

    2015-03-01

    Organic solar cells (OSCs) with a bulk-heterojunction (BHJ) are promising energy conversion devices, because they are flexible and environmental-friendly, and can be fabricated by low-cost roll-to-roll process. Here, we systematically investigated the interrelations between photovoltaic properties and the domain morphology of the active layer in OSCs based on films of poly-(9,9-dioctylfluorene-co-bithiophene) (F8T2)/[6,6]-phenyl C71-butyric acid methyl ester (PC71BM) blend annealed at various temperatures (Tan). The scanning transmission X-ray microscopy (STXM) revealed that fullerene mixing (ΦFullerene) in the polymer matrix decreases with increase in Tan while the domain size (L) is nearly independent of Tan. The TEM-S mapping image suggests that the polymer matrix consist of polymer clusters of several nm and fullerene. We found that the charge formation efficiency (ΦCF), internal quantum efficiency (ΦIQ), and power conversion efficiency (PCE) are dominantly determined by ΦFullerene. We interpreted these observations in terms of the polymer clusters within the polymer matrix.

  7. Pressure induced manifold enhancement of Li-kinetics in FCC fullerene.

    Science.gov (United States)

    Das, Deya; Han, Sang Soo; Lee, Kwang-Ryeol; Singh, Abhishek K

    2014-10-21

    The reduction of the diffusion energy barrier for Li in electrodes is one of the required criteria to achieve better performances in Li ion batteries. Using density functional theory based calculations, we report a pressure induced manifold enhancement of Li-kinetics in bulk FCC fullerene. Scanning of the potential energy surface reveals a diffusion path with a low energy barrier of 0.62 eV, which reduces further under the application of hydrostatic pressure. The pressure induced reduction in the diffusion barrier continues till a uniform volume strain of 17.7% is reached. Further enhancement of strain increases the barrier due to the repulsion caused by C-C bond formation between two neighbouring fullerenes. The decrease in the barrier is attributed to the combined effect of charge transfer triggered by the enhanced interaction of Li with the fullerene as well as the change in profile of the local potential, which becomes more attractive for Li. The lowering of the barrier leads to an enhancement of two orders of magnitude in Li diffusivity at room temperature making pressurized bulk fullerene a promising artificial solid electrolyte interface (SEI) for a faster rechargeable battery.

  8. Vibrational spectroscopic and structural investigations on fullerene: A DFT approach

    Science.gov (United States)

    Christy, P. Anto; Premkumar, S.; Asath, R. Mohamed; Mathavan, T.; Benial, A. Milton Franklin

    2016-05-01

    The molecular structure of fullerene (C60) molecule was optimized by the DFT/B3LYP method with 6-31G and 6-31G(d,p) basis sets using Gaussian 09 program. The vibrational frequencies were calculated for the optimized molecular structure of the molecule. The calculated vibrational frequencies confirm that the molecular structure of the molecule was located at the minimum energy potential energy surface. The calculated vibrational frequencies were assigned on the basis of functional group analysis and also confirmed using the GaussView 05 software. The frontier molecular orbitals analysis was carried out. The FMOs related molecular properties were predicted. The higher ionization potential, higher electron affinity, higher softness, lower band gap energy and lower hardness values were obtained, which confirm that the fullerene molecule has a higher molecular reactivity. The Mulliken atomic charge distribution of the molecule was also calculated. Hence, these results play an important role due to its potential applications as drug delivery devices.

  9. Matrix assisted ionization: new aromatic and nonaromatic matrix compounds producing multiply charged lipid, peptide, and protein ions in the positive and negative mode observed directly from surfaces.

    Science.gov (United States)

    Li, Jing; Inutan, Ellen D; Wang, Beixi; Lietz, Christopher B; Green, Daniel R; Manly, Cory D; Richards, Alicia L; Marshall, Darrell D; Lingenfelter, Steven; Ren, Yue; Trimpin, Sarah

    2012-10-01

    Matrix assisted inlet ionization (MAII) is a method in which a matrix:analyte mixture produces mass spectra nearly identical to electrospray ionization without the application of a voltage or the use of a laser as is required in laserspray ionization (LSI), a subset of MAII. In MAII, the sample is introduced by, for example, tapping particles of dried matrix:analyte into the inlet of the mass spectrometer and, therefore, permits the study of conditions pertinent to the formation of multiply charged ions without the need of absorption at a laser wavelength. Crucial for the production of highly charged ions are desolvation conditions to remove matrix molecules from charged matrix:analyte clusters. Important factors affecting desolvation include heat, vacuum, collisions with gases and surfaces, and even radio frequency fields. Other parameters affecting multiply charged ion production is sample preparation, including pH and solvent composition. Here, findings from over 100 compounds found to produce multiply charged analyte ions using MAII with the inlet tube set at 450 °C are presented. Of the compounds tested, many have -OH or -NH(2) functionality, but several have neither (e.g., anthracene), nor aromaticity or conjugation. Binary matrices are shown to be applicable for LSI and solvent-free sample preparation can be applied to solubility restricted compounds, and matrix compounds too volatile to allow drying from common solvents. Our findings suggest that the physical properties of the matrix such as its morphology after evaporation of the solvent, its propensity to evaporate/sublime, and its acidity are more important than its structure and functional groups.

  10. Enumeration of a class of IPR hetero-fullerenes

    OpenAIRE

    ALI REZA ASHRAFI; MODJTABA GHORBANI

    2010-01-01

    Hetero-fullerenes are fullerenes in which some of the carbon atoms are replaced by other atoms. This paper uses the Pólya theorem to count the number of their possible positional isomers and chiral isomers. To do this, the computer algebra system GAP was applied to compute this number for a class of IPR hetero-fullerenes with Ih point group symmetry. These fullerenes were constructed by means of the leapfrog principle.

  11. Transient Spectroscopic Properties of [60]Fullerene-Containing Cyclic Sulphoxide

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The properties of the triplet excited state of [60]fullerene-containing cyclic sulphoxide have been investigated by time-resolved absorption spectroscopy. Transient absorption bands of [60]fullerene-containing cyclic sulphoxide showed two decay-components, which were attributed to triplet excited states of different spin multiplicity. The properties of photoexcited states of [60]fullerene-containing cyclic sulphoxide are also reported.

  12. Constructing I[subscript h] Symmetrical Fullerenes from Pentagons

    Science.gov (United States)

    Gan, Li-Hua

    2008-01-01

    Twelve pentagons are sufficient and necessary to form a fullerene cage. According to this structural feature of fullerenes, we propose a simple and efficient method for the construction of I[subscript h] symmetrical fullerenes from pentagons. This method does not require complicated mathematical knowledge; yet it provides an excellent paradigm for…

  13. Inclusive analysis of negative charged particles produced in sulfur-lead interactions at 200 GeV/c per nucleon

    International Nuclear Information System (INIS)

    After a first theoretical part about the physics of quark-gluon plasma, and after a description of CERN experiments (NA34, NA35, NA38, WA80, WA85), the author presents in a second part, the experiment NA36. He describes, with details, the spectrometers and studies the production of negative charged particles in Sulfur-Lead interactions at 200 GeV/c per nucleon. Reconstruction of trajectories in TPC, correction of multiplicity, correction of transverse momentum distribution, correction of pseudo-rapidity distribution and method of maximum entropy are presented and explained

  14. What Controls the Rate of Ultrafast Charge Transfer and Charge Separation Efficiency in Organic Photovoltaic Blends.

    Science.gov (United States)

    Jakowetz, Andreas C; Böhm, Marcus L; Zhang, Jiangbin; Sadhanala, Aditya; Huettner, Sven; Bakulin, Artem A; Rao, Akshay; Friend, Richard H

    2016-09-14

    In solar energy harvesting devices based on molecular semiconductors, such as organic photovoltaics (OPVs) and artificial photosynthetic systems, Frenkel excitons must be dissociated via charge transfer at heterojunctions to yield free charges. What controls the rate and efficiency of charge transfer and charge separation is an important question, as it determines the overall power conversion efficiency (PCE) of these systems. In bulk heterojunctions between polymer donor and fullerene acceptors, which provide a model system to understand the fundamental dynamics of electron transfer in molecular systems, it has been established that the first step of photoinduced electron transfer can be fast, of order 100 fs. But here we report the first study which correlates differences in the electron transfer rate with electronic structure and morphology, achieved with sub-20 fs time resolution pump-probe spectroscopy. We vary both the fullerene substitution and donor/fullerene ratio which allow us to control both aggregate size and the energetic driving force for charge transfer. We observe a range of electron transfer times from polymer to fullerene, from 240 fs to as short as 37 fs. Using ultrafast electro-optical pump-push-photocurrent spectroscopy, we find the yield of free versus bound charges to be weakly dependent on the energetic driving force, but to be very strongly dependent on fullerene aggregate size and packing. Our results point toward the importance of state accessibility and charge delocalization and suggest that energetic offsets between donor and acceptor levels are not an important criterion for efficient charge generation. This provides design rules for next-generation materials to minimize losses related to driving energy and boost PCE.

  15. What Controls the Rate of Ultrafast Charge Transfer and Charge Separation Efficiency in Organic Photovoltaic Blends.

    Science.gov (United States)

    Jakowetz, Andreas C; Böhm, Marcus L; Zhang, Jiangbin; Sadhanala, Aditya; Huettner, Sven; Bakulin, Artem A; Rao, Akshay; Friend, Richard H

    2016-09-14

    In solar energy harvesting devices based on molecular semiconductors, such as organic photovoltaics (OPVs) and artificial photosynthetic systems, Frenkel excitons must be dissociated via charge transfer at heterojunctions to yield free charges. What controls the rate and efficiency of charge transfer and charge separation is an important question, as it determines the overall power conversion efficiency (PCE) of these systems. In bulk heterojunctions between polymer donor and fullerene acceptors, which provide a model system to understand the fundamental dynamics of electron transfer in molecular systems, it has been established that the first step of photoinduced electron transfer can be fast, of order 100 fs. But here we report the first study which correlates differences in the electron transfer rate with electronic structure and morphology, achieved with sub-20 fs time resolution pump-probe spectroscopy. We vary both the fullerene substitution and donor/fullerene ratio which allow us to control both aggregate size and the energetic driving force for charge transfer. We observe a range of electron transfer times from polymer to fullerene, from 240 fs to as short as 37 fs. Using ultrafast electro-optical pump-push-photocurrent spectroscopy, we find the yield of free versus bound charges to be weakly dependent on the energetic driving force, but to be very strongly dependent on fullerene aggregate size and packing. Our results point toward the importance of state accessibility and charge delocalization and suggest that energetic offsets between donor and acceptor levels are not an important criterion for efficient charge generation. This provides design rules for next-generation materials to minimize losses related to driving energy and boost PCE. PMID:27538341

  16. Precursor soot synthesis of fullerenes and nanotubes without formation of carbonaceous soot

    Science.gov (United States)

    Reilly, Peter T. A.

    2007-03-20

    The present invention is a method for the synthesis of fullerenes and/or nanotubes from precursor soot without the formation of carbonaceous soot. The method comprises the pyrolysis of a hydrocarbon fuel source by heating the fuel source at a sufficient temperature to transform the fuel source to a condensed hydrocarbon. The condensed hydrocarbon is a reaction medium comprising precursor soot wherein hydrogen exchange occurs within the reaction medium to form reactive radicals which cause continuous rearrangement of the carbon skeletal structure of the condensed hydrocarbon. Then, inducing dehydrogenation of the precursor soot to form fullerenes and/or nanotubes free from the formation of carbonaceous soot by continued heating at the sufficient temperature and by regulating the carbon to hydrogen ratio within the reaction medium. The dehydrogenation process produces hydrogen gas as a by-product. The method of the present invention in another embodiment is also a continuous synthesis process having a continuous supply of the fuel source. The method of the present invention can also be a continuous cyclic synthesis process wherein the reaction medium is fed back into the system as a fuel source after extraction of the fullerenes and/or nanotube products. The method of the present invention is also a method for producing precursor soot in bulk quantity, then forming fullerenes and/or nanotubes from the precursor bulk.

  17. Effect of the jet production on pseudorapidity, transverse momentum and transverse mass distributions of charged particles produced in pp-collisions at Tevatron energy

    Institute of Scientific and Technical Information of China (English)

    Ali Zaman; Mais Suleymanov; Muhammad Ajaz; Kamal Hussain Khan

    2015-01-01

    We investigate the effects of jet production on the following parameters:pseudorapidity,transverse momentum and transverse mass distributions of secondary charged particles produced in pp-collisions at 1.8 TeV,using the HIJING code.These distributions are analyzed for the whole range and for six selected regions of the polar angle as a function of the different number of jets.The obtained simulation results for these parameters are interpreted and discussed in connection to the increase observed in the multiplicity of secondary charged particles as a result of its multi-jet dependence,and are also discussed in comparison with the experimental results from the CDF Collaboration.

  18. Collins asymmetries in inclusive charged $KK$ and $K\\pi$ pairs produced in $e^+e^-$ annihilation

    CERN Document Server

    Aubert, B

    2015-01-01

    We present measurements of Collins asymmetries in the inclusive process $e^+e^- \\rightarrow h_1 h_2 X$, $h_1h_2=KK,\\, K\\pi,\\, \\pi\\pi$, at the center-of-mass energy of 10.6 GeV, using a data sample of 468 fb$^{-1}$ collected by the BaBar experiment at the PEP-II $B$ factory at SLAC National Accelerator Center. Considering hadrons in opposite thrust hemispheres of hadronic events, we observe clear azimuthal asymmetries in the ratio of unlike- to like-sign, and unlike- to all charged $h_1 h_2$ pairs, which increase with hadron energies. The $K\\pi$ asymmetries are similar to those measured for the $\\pi\\pi$ pairs, whereas those measured for high-energy $KK$ pairs are, in general, larger.

  19. Photophysical and theoretical insights on non-covalently linked fullerene-zinc phthalocyanine complexes

    Science.gov (United States)

    Ray, A.; Chattopadhyay, S.; Bhattacharya, S.

    2011-09-01

    The photo-physical aspects of non-covalently linked assemblies of a series of fullerenes, namely, C 60, C 70, tert-butyl-(1,2-methanofullerene)-61-carboxylate ( 1) and [6,6]-phenyl C 70 butyric acid methyl ester ( 2) with a designed zinc phthalocyanine (ZnPc), viz., zinc-1,4,8,11,15,18,22,25-octabutoxy-29 H,31 H-phthalocyanine ( 3) in toluene medium are studied employing absorption spectrophotometric, steady state and time resolved fluorescence spectroscopic measurements. Of central interest in these investigations is the preferential binding of various fullerenes with ZnPc in toluene. The ground state interaction between fullerenes and 3 is first evidenced from UV-Vis measurements. Steady state fluorescence experiment reveals efficient quenching of the excited singlet state of 3 in presence of both underivatized and derivatized fullerenes. K values for the complexes of C 60, C 70, 1 and 2 with 3 are determined to be 6500, 22,230, 47,800 and 54,770 dm 3 mol -1, respectively. The magnitude of K suggests that 3 preferentially binds C 70 and derivatized C 70 in comparison to C 60 and 1. Time resolved emission measurements establish that C 70- 3 and 2- 3 complexes are stabilized much more in comparison to C 60- 3 and 1- 3 systems in terms of charge separation process. Semi empirical calculations employing third parametric method substantiate the strong binding of C 70 and its derivative with 3 in terms of heat of formation values of the respective complexes, and at the same time, determine the orientation of bound guest (here fullerenes) with the molecular plane of 3.

  20. Local Intermolecular Order Controls Photoinduced Charge Separation at Donor/Acceptor Interfaces in Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Feier, Hilary M.; Reid, Obadiah G.; Pace, Natalie A.; Park, Jaehong; Bergkamp, Jesse J.; Sellinger, Alan; Gust, Devens; Rumbles, Garry

    2016-03-23

    How free charge is generated at organic donor-acceptor interfaces is an important question, as the binding energy of the lowest energy (localized) charge transfer states should be too high for the electron and hole to escape each other. Recently, it has been proposed that delocalization of the electronic states participating in charge transfer is crucial, and aggregated or otherwise locally ordered structures of the donor or the acceptor are the precondition for this electronic characteristic. The effect of intermolecular aggregation of both the polymer donor and fullerene acceptor on charge separation is studied. In the first case, the dilute electron acceptor triethylsilylhydroxy-1,4,8,11,15,18,22,25-octabutoxyphthalocyaninatosilicon(IV) (SiPc) is used to eliminate the influence of acceptor aggregation, and control polymer order through side-chain regioregularity, comparing charge generation in 96% regioregular (RR-) poly(3-hexylthiophene) (P3HT) with its regiorandom (RRa-) counterpart. In the second case, ordered phases in the polymer are eliminated by using RRa-P3HT, and phenyl-C61-butyric acid methyl ester (PC61BM) is used as the acceptor, varying its concentration to control aggregation. Time-resolved microwave conductivity, time-resolved photoluminescence, and transient absorption spectroscopy measurements show that while ultrafast charge transfer occurs in all samples, long-lived charge carriers are only produced in films with intermolecular aggregates of either RR-P3HT or PC61BM, and that polymer aggregates are just as effective in this regard as those of fullerenes.

  1. Fullerenes: An introduction and overview of their biological properties

    Directory of Open Access Journals (Sweden)

    Thakral Seema

    2006-01-01

    Full Text Available Ever since their experimental discovery in 1985, fullerenes have attracted considerable attention in different fields of sciences. Investigations of chemical, physical and biological properties of fullerenes have yielded promising information. Their unique carbon cage structure coupled with immense scope for derivatization makes fullerenes a potential therapeutic agent. Henceforth various potential therapeutic applications of fullerenes have been reviewed in the present paper. These include antiHIV- protease activity, photodynamic DNA cleavage, free radical scavenger, antimicrobial action and use of fullerenes as diagnostic agents.

  2. Physical picture of the electromagnetic fields between two infinite conducting plates produced by a point charge moving at the speed of light

    International Nuclear Information System (INIS)

    In the study of beam-cavity coupling effects, one must solve Maxwell's equations for the fields produced by a given beam shape and given cavity geometry. A recent paper that treats the effect on the bunch shape has considered the longitudinal electric field in a pill box cavity produced by a step function charge pulse traveling at the speed of light. In order to obtain a clear physical picture of how the fields are produced in the cavity, we treat the problem of a point charge traveling at the speed of light, c, between two infinite plates. This must, of course give the same result as the closed pill box cavity for values of time t such that ct is less than the cavity radius. In this paper, the longitudinal and radial electric field components and the azimuthal magnetic field component are derived from Maxwell's equation for this idealized case. We use the eigenmode expansion method and include some details of the tricks used in the computation of the sums. We also discuss the physical picture of the electromagnetic fields that were derived. 5 refs., 3 figs

  3. Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

    Energy Technology Data Exchange (ETDEWEB)

    Zope, Rajendra R., E-mail: rzope@utep.edu; Baruah, Tunna [Department of Physics, The University of Texas at El Paso, El Paso, Texas 79958 (United States); Computational Science Program, The University of Texas at El Paso, El Paso, Texas 79958 (United States); Bhusal, Shusil; Basurto, Luis [Department of Physics, The University of Texas at El Paso, El Paso, Texas 79958 (United States); Jackson, Koblar [Physics Department and Science of Advanced Materials Ph.D. Program, Central Michigan University, Mt. Pleasant, Michigan 48859 (United States)

    2015-08-28

    We investigate the polarizability of trimetallic nitride endohedral fullerenes by partitioning the total polarizability into site specific components. This analysis indicates that the polarizability of the endohedral fullerene is essentially due to the outer fullerene cage and has insignificant contribution from the encapsulated unit. Thus, the outer fullerene cages effectively shield the encapsulated clusters and behave like Faraday cages. The polarizability of endohedral fullerenes is slightly smaller than the polarizability of the corresponding bare carbon fullerenes. The application of the site specific polarizabilities to C{sub 60}@C{sub 240} and C{sub 60}@C{sub 180} onions shows that, compared to the polarizability of isolated C{sub 60} fullerene, the encapsulation of the C{sub 60} in C{sub 240} and C{sub 180} fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C{sub 60} in the two onions is a result of differences in the bonding (intershell electron transfer), fullerene shell relaxations, and intershell separations. The site specific analysis further shows that the outer atoms in a fullerene shell contribute most to the fullerene polarizability.

  4. Effect of dielectronic recombination on the charge-state distribution and soft X-ray line intensity of laser-produced carbon plasma

    Indian Academy of Sciences (India)

    A Chowdhury; G P Gupta; P A Naik; P D Gupta

    2005-01-01

    The effect of dielectronic recombination in determining charge-state distribution and radiative emission from a laser-produced carbon plasma has been investigated in the collisional radiative ionization equilibrium. It is observed that the relative abundances of different ions in the plasma, and soft X-ray emission intensity get significantly altered when dielectronic recombination is included. Theoretical estimates of the relative population of CVI to CV ions and ratio of line intensity emitted from them for two representative formulations of dielectronic recombination are presented.

  5. Differential cross sections, charge production asymmetry, and spin-density matrix elements for D*(2010) produced in 500 GeV/c pi^- nucleon interactions

    CERN Document Server

    Aitala, E M; Anjos, J C; Appel, J A; Ashery, D; Banerjee, S; Bediaga, I; Blaylock, G; Bracker, S B; Burchat, Patricia R; Burnstein, R A; Carter, T; Carvalho, H S; Copty, N K; Cremaldi, L M; Darling, C; Denisenko, K; Devmal, S C; Fernández, A; Fox, G F; Gagnon, P; Göbel, C; Gounder, K; Halling, A M; Herrera-Corral, G; Hurvits, G; James, C; Kasper, P A; Kwan, S; Langs, D C; Leslie, J; Lundberg, B; Magnin, J; Massafferri, A; May Tal-Beck, S; Meadows, B; De Mello-Neto, J R T; Mihalcea, D; Milburn, R H; De Miranda, J M; Napier, A; Nguyen, A; D'Oliveira, A B; O'Shaughnessy, K; Peng, K C; Perera, L P; Purohit, M V; Quinn, B; Radeztsky, S; Rafatian, A; Reay, N W; Reidy, J J; Dos Reis, A C; Rubin, H A; Sanders, D A; Santha, A K S; Santoro, A F S; Schwartz, A J; Sheaff, M; Sidwell, R A; Slaughter, A J; Sokoloff, M D; Solano-Salinas, C J; Stanton, N R; Stefanski, R J; Stenson, K; Summers, D J; Takach, S F; Thorne, K; Tripathi, A K; Watanabe, S; Weiss-Babai, R; Wiener, J; Witchey, N; Wolin, E; Yang, S M; Yi, D; Yoshida, S; Zaliznyak, R; Zhang, C

    2002-01-01

    We report differential cross sections for the production of D*(2010) produced in 500 GeV/c pi^- nucleon interactions from experiment E791 at Fermilab, as functions of Feynman-x (x_F) and transverse momentum squared (p_T^2). We also report the D* +/- charge asymmetry and spin-density matrix elements as functions of these variables. Investigation of the spin-density matrix elements shows no evidence of polarization. The average values of the spin alignment are \\eta= 0.01 +- 0.02 and -0.01 +- 0.02 for leading and non-leading particles, respectively.

  6. Energy spectrum of C60 fullerene

    Science.gov (United States)

    Mironov, G. I.; Murzashev, A. I.

    2011-11-01

    The energy spectrum of the C60 fullerene has been calculated in terms of the Shubin-Vonsovskii-Hubbard model using an approximation of static fluctuations. Based on the spectrum, the optical absorption bands at 4.84, 5.88, and 6.30 eV observed experimentally have been successfully explained. It has been concluded that the model used is applicable for the calculation of the energy spectrum and the energy properties of other nanosystems, such as fullerenes of higher orders, carbon nanotubes, and grafen planes.

  7. Measurement of topological muonic branching ratios of charmed hadrons produced in neutrino-induced charged-current interactions

    CERN Document Server

    Kayis-Topaksu, A; Van Dantzig, R; De Jong, M; Oldeman, R G C; Güler, M; Köse, U; Tolun, P; Catanesi, M G; Muciaccia, M T; Winter, Klaus; Van de Vyver, B; Vilain, P; Wilquet, G; Saitta, B; Di Capua, E; Ogawa, S; Shibuya, H; Hristova, I R; Kawamura, T; Kolev, D; Meinhard, H; Panman, J; Rozanov, A; Tsenov, R V; Uiterwijk, J W E; Zucchelli, P; Goldberg, J; Chikawa, M; Song, J S; Yoon, C S; Kodama, K; Ushida, N; Aoki, S; Hara, T; Delbar, T; Favart, D; Grégoire, G; Kalinin, S; Makhlyoueva, I V; Artamonov, A V; Gorbunov, P; Khovanskii, V D; Shamanov, V V; Tsukerman, I; Bruski, N; Frekers, D; Hoshino, K; Kawada, J; Komatsu, M; Myanishi, M; Nakamura, M; Nakano, T; Narita, K; Niu, K; Niwa, K; Nonaka, N; Sato, O; Toshito, T; Buontempo, S; Cocco, A G; D'Ambrosio, N; De Lellis, G; De Rosa, G; Di Capua, F; Fiorillo, G; Marotta, A; Messina, M; Migliozzi, P; Scotto-Lavina, L; Strolin, P; Tioukov, V; Okusawa, T; Dore, U; Loverre, P F; Ludovici, L; Rosa, G; Santacesaria, R; Satta, A; Spada, F R; Barbuto, E; Bozza, C; Grella, G; Romano, G; Sirignano, C; Sorrentino, S; Sato, Y; Tezuka, I

    2005-01-01

    From 1994 to 1997, the emulsion target of the CHORUS detector was exposed to the wideband neutrino beam of the CERN SPS. In total about 100 000 charged-current neutrino interactions were located in the nuclear emulsion target and fully reconstructed. From this sample of events based on the data acquired by new automatic scanning systems, 2013 charm-decay events were selected by a pattern recognition program. They were confirmed as decays through visual inspection. Based on these events, the effective branching ratio of charmed particles into muons was determined to be Bμ = [7.3 ± 0.8 (stat) ± 0.2 (syst)] × 10âˆ'2. In addition, the muonic branching ratios are presented for dominating charm decay topologies. Normalization of the muonic decays to chargedcurrent interactions provides _μâˆ'μ+/_cc = [3.16 ± 0.34 (stat) ± 0.09 (syst)] × 10âˆ'3. Selecting only events with visible energy greater than 30 GeV gives a value of Bμ that is less affected by the charm production threshold ...

  8. Laser ablation synthesis of zinc oxide clusters: a new family of fullerenes?

    CERN Document Server

    Bulgakov, A V; Bulgakov, Alexander V.; Ozerov, Igor; Proxy, Wladimir Marine; ccsd-00000864, ccsd

    2003-01-01

    Positively charged zinc oxide clusters ZnnOm (up to n = 16, m <= n) of various stoichiometry were synthesized in the gas phase by excimer ArF laser ablation of a ZnO target and investigated using time-of-flight mass spectrometry. Depending on ablation conditions, either metal rich or stoichiometric clusters dominate in the mass spectrum. When the irradiated target surface is fairly fresh, the most abundant clusters are metal rich with Zn(n+1)On and Zn(n+3)On being the major series. The stoichiometric clusters are observed with an etched ablated surface. The magic numbers at n = 9, 11 and 15 in mass spectra of (ZnO)n clusters indicate that the clusters have hollow spheroid structures related to fullerenes. A local abundance minimum at n = 13 provides an additional evidence for the presence in the ablation plume of fullerene-like (ZnO)n clusters.

  9. Applications of Anti/Prooxidant Fullerenes in Nanomedicine along with Fullerenes Influence on the Immune System

    OpenAIRE

    Danijela Petrovic; Mariana Seke; Branislava Srdjenovic; Aleksandar Djordjevic

    2015-01-01

    Fullerenes are molecules that, due to their unique structure, have very specific chemical properties which offer them very wide array of applications in nanomedicine. The most prominent are protection from radiation-induced injury, neuroprotection, drug and gene delivery, anticancer therapy, adjuvant within different treatments, photosensitizing, sonosensitizing, bone reparation, and biosensing. However, it is of crucial importance to be elucidated how fullerenes immunomodulate human system o...

  10. Nano tracks in fullerene film by dense electronic excitations

    International Nuclear Information System (INIS)

    Highlights: • Observation of nano track in C60 thin film irradiated with 30 MeV C60 cluster beam by HRTEM. • Average track diameter is around 20 nm in C60 thin films by 30 MeV cluster (C60) ion beam irradiation. • No track observed in C60 thin film irradiated with 120 MeV Au mono atomic beam. • Delta electrons produced during the ion irradiation play crucial role in nano-track formation. - Abstract: In the present work, we investigate the formation of nano tracks by cluster and mono-atomic ion beams in the fullerene (C60) thin films by High Resolution Transmission Electron Microscopy (HRTEM). The fullerene films on carbon coated grids were irradiated by 30 MeV C60 cluster beam and 120 MeV Au mono-atomic beams at normal and grazing angle to the incident ion beams. The studies show that the cluster beam creates latent tracks of an average diameter of around 20 nm. The formation of large size nano tracks by cluster beam is attributed to the deposition of large electronic energy density as compared to mono-atomic beams

  11. Polaron pair mediated triplet generation in polymer/fullerene blends

    KAUST Repository

    Dimitrov, Stoichko D.

    2015-03-04

    Electron spin is a key consideration for the function of organic semiconductors in light-emitting diodes and solar cells, as well as spintronic applications relying on organic magnetoresistance. A mechanism for triplet excited state generation in such systems is by recombination of electron-hole pairs. However, the exact charge recombination mechanism, whether geminate or nongeminate and whether it involves spin-state mixing is not well understood. In this work, the dynamics of free charge separation competing with recombination to polymer triplet states is studied in two closely related polymer-fullerene blends with differing polymer fluorination and photovoltaic performance. Using time-resolved laser spectroscopic techniques and quantum chemical calculations, we show that lower charge separation in the fluorinated system is associated with the formation of bound electron-hole pairs, which undergo spin-state mixing on the nanosecond timescale and subsequent geminate recombination to triplet excitons. We find that these bound electron-hole pairs can be dissociated by electric fields.

  12. Fullerene derivatives with increased dielectric constants

    NARCIS (Netherlands)

    Jahani, Fatemeh; Torabi, Solmaz; Chiechi, Ryan C; Koster, L Jan Anton; Hummelen, Jan C

    2014-01-01

    The invention of new organic materials with high dielectric constants is of extreme importance for the development of organic-based devices such as organic solar cells. We report on a synthetic way to increase the dielectric constant of fullerene derivatives. It is demonstrated that introducing trie

  13. An Infrared Study of Fullerene Planetary Nebulae

    CERN Document Server

    Garcia-Hernandez, D A; Garcia-Lario, P; Acosta-Pulido, J A; Manchado, A; Stanghellini, L; Shaw, R A; Cataldo, F

    2012-01-01

    We present a study of 16 PNe where fullerenes have been detected in their Spitzer spectra. This large sample of objects offers an unique opportunity to test conditions of fullerene formation and survival under different metallicity environments as we are analyzing five sources in our own Galaxy, four in the LMC, and seven in the SMC. Among the 16 PNe under study, we present the first detection of C60 (possibly also C70) fullerenes in the PN M 1-60 as well as of the unusual 6.6, 9.8, and 20 um features (possible planar C24) in the PN K 3-54. Although selection effects in the original samples of PNe observed with Spitzer may play a potentially significant role in the statistics, we find that the detection rate of fullerenes in C-rich PNe increases with decreasing metallicity (5% in the Galaxy, 20% in the LMC, and 44% in the SMC). CLOUDY photoionization modeling matches the observed IR fluxes with central stars that display a rather narrow range in effective temperature (30,000-45,000 K), suggesting a common evo...

  14. COANP-fullerenes system for optical modulation

    Science.gov (United States)

    Likhomanova, S. V.; Kamanina, N. V.

    2016-08-01

    The advanced investigations of ϕ-conjugated organic molecule COANP sensitized with fullerenes have been revealed to consider this system as an affective medium for optical limiting and phase modulation. The special accent has been given to influence of the nanostructured relief at the interface on the spectral and photoconductive features.

  15. Crystalline Fullerenes. Round Pegs in Square Holes

    NARCIS (Netherlands)

    Fleming, R.M.; Hessen, B.; Siegrist, T.; Kortan, A.R.; Marsh, P.; Tycko, R.; Dabbagh, G.; Haddon, R.C.

    1992-01-01

    The fullerenes C60 and C70 act as spherical building blocks in crystalline solids to form a variety of crystal structures. In many cases, the icosahedral molecular symmetry of C60 appears to play little role in determining the crystal structure. In this chapter we discuss our results on the crystall

  16. Spectroscopy on Polymer-Fullerene Photovoltaic Cells

    NARCIS (Netherlands)

    Dyakonov, V.; Riedel, I.; Godovsky, D.; Parisi, J.; Ceuster, J. De; Goovaerts, E.; Hummelen, J.C.

    2000-01-01

    We investigate the electrical transport properties of ITO/conjugated polymer-fullerene/Al photovoltaic cells and the role of defect states with current-voltage studies, admittance spectroscopy, and electron spin resonance technique. In the temperature range 293-40K, the characteristic step in the ad

  17. Search for electroweakly produced supersymmetric particles in final states including two charged leptons with the ATLAS experiment at the LHC

    CERN Document Server

    Wittkowski, Josephine

    Three analyses searching for electroweakly produced supersymmetric particles in proton-proton collisions are presented. The collisions were recorded by the ATLAS experiment at the Large Hadron Collider. Two leptons (electrons or muons), jets and missing transverse energy are expected in the final states. Simplified models as well as the phenomenological Minimal Supersymmetric Standard Model (pMSSM) are used to study the production and decay of pairs of gauginos, i.e. charginos and neutralinos. The first analysis is performed with an integrated luminosity of 4.7 fb^-1 of ATLAS data, recorded in 2011 at a centre-of-mass energy of sqrt(s) = 7 TeV. Direct slepton production and three scenarios in which pairs of gauginos decay via intermediate sleptons are addressed. Particular attention is paid to the trigger strategy. No excess is observed in the number of data events. In the simplified model that assumes the direct slepton production, left-handed slepton masses between 85 and 195 GeV are excluded at 95% confide...

  18. Response to light charged particles and heavy ions of thin, large area ΔE strip detectors produced by the PPPP process

    International Nuclear Information System (INIS)

    Large area thin strip detectors with build-in electric field are among possible choices to provide radiation-hard detectors for future high-energy physics experiments and heavy ion applications. Among the advantages of thin detectors with build in field are the very low detector bias voltage and reduced material cost. A new technology for silicon detector production called Planar Process Partially Performed on the Thin Silicon Membrane (PPPP process) is described. Using this method the transmission ΔE, 52 and 22μm thick strip detectors operated at 5V bias potential were produced and tested. The n--n+ structures produced by about 50μm of high resistivity (2000Ωcm) layer epitaxially grown on 400μm of low resistivity substrate were used for the detector construction. The n--n+ wafers were manufactured in the Institute of Electronic Materials Technology. The detectors performance as E-ΔE telescopes (associated with an independent 400μmE detector) was tested using the light charged particles from the reaction 12C(14N,X) and heavy ions (Li, Be, B, C, N) produced in the 9B(14N,X) reaction at 89.6MeV beam energy. An energy resolution of the ΔE detector measured with the 6.05 and 6.09MeV α-particles from 212Bi was about 110keV. This paper describes the new technological approach used for fabrication of the devices and reports some results from light charged particles and heavy ion measurements

  19. Optical study of pi-conjugated polymers and pi-conjugated polymers/fullerene blends

    Science.gov (United States)

    Drori, Tomer

    In this research, we studied the optical properties of a variety of pi-conjugated polymers and pi-conjugated polymers/fullerene blends, using various continuous wave optical spectroscopies. We found an illumination-induced metastable polaron-supporting phase in films of a soluble derivative of poly-p-phenylene vinylene (MEH-PPV). Pristine, MEH-PPV polymer films in the dark do not show long-lived photogenerated polarons. Prolonged UV illumination, however, is found to induce a reversible, metastable phase characterized by its ability to support abundant long-lived photogenerated polarons. We also discovered a photobleaching band in our photomodulation measurement around 0.9eV that scales with and thus is related to the observed polaron band. In the dark, the illumination-induced metastable phase reverts back to the phase of the original MEH-PPV within about 30 min at room temperature. We also applied our experimental techniques in polymer/fullerene blends for studying the photophysics of bulk heterostructures with below-gap excitation. In contrast to the traditional view, we found that below-gap excitation, which is incapable of generating intrachain excitons, nevertheless efficiently generates polarons on the polymer chains and fullerene molecules. Using frequency dependence photomodulation, we distinguished between the two mechanisms of photoinduced charge transfer using above-gap and below-gap excitations, and found a distinguishable long polaron lifetime when photogenerated with below-gap excitation. The polaron action spectrum extends deep inside the gap as a result of a charge-transfer complex state formed between the polymer chain and fullerene molecule. Using the electroabsorption technique, we were able to detect the optical transition of the charge transfer complex state that lies below the gap of the polymer and the fullerene. With appropriate design engineering the long-lived polarons might be harvested in solar cell devices. Another system studied was

  20. Unstable Isomer of C90 Fullerene Isolated as Chloro Derivatives, C90 (1)Cl10/12.

    Science.gov (United States)

    Chilingarov, Norbert S; Troyanov, Sergey I

    2016-07-01

    High-temperature chlorination of C90 -containing fullerene fraction resulted in the isolation and X-ray structural characterization of C90 (1)Cl10/12 , the first derivatives of a relatively unstable isomer D5h -C90 (1) with a nanotubular shape. In the crystal structure, three isomers of both C90 (1)Cl10 and C90 (1)Cl12 with similar chlorination patterns co-crystallize in the same crystallographic site. Thus, in contrast to the previous reports, D5h -C90 (1) is present, though with a low abundance, in the fullerene soot produced by arc-discharge method with undoped graphite rods. PMID:27311795

  1. Molecular photovoltaic system based on fullerenes and carotenoids co-assembled in lipid/alkanethiol hybrid bilayers.

    Science.gov (United States)

    Liu, Lixia; Zhan, Wei

    2012-03-13

    A hybrid molecular photovoltaic system, based on fullerene C(60) and lutein (a natural photosynthetic carotenoid pigment) that are assembled in a phospholipid/alkanethiol bilayer matrix, is described here. The assembly and photoconversion behaviors of such a system were studied by UV-vis spectroscopy, cyclic voltammetry, impedance spectroscopy, photoelectrochemical action spectroscopy, and photocurrent generation. While lutein itself is inefficient in generating photocurrent, it can strongly modulate photocurrents produced by fullerenes when coassembled in the lipid bilayer matrix presumably via photoinduced electron transfer. Our results thus provide a successful example of combining both synthetic and natural photoactive components in building molecular photovoltaic systems.

  2. A TEM study of soot, carbon nanotubes, and related fullerene nanopolyhedra in common fuel-gas combustion sources

    International Nuclear Information System (INIS)

    Nanoparticle aggregates collected by thermophoretic precipitation from natural gas-air and propane-air kitchen stove top flame exhausts, natural gas-air water heater roof-top exhausts, and other common fuel-gas combustion sources were observed by transmission electron microscopy to consist of occasional aggregates of mostly turbostratic carbon spherules, aggregates of crystalline graphite nanoparticles mixed with other fullerene nanoforms; and aggregates of various sizes of multiwall carbon nanotubes and other multishell, fullerene polyhedra for optimal blue-flame combustion. The carbon nanotube structures and end cap variations as well as fullerene polyhedral structures were observed to be the same as those for arc-evaporation produced nanoaggregates. Nanoparticle aggregation or the occurrence of carbon nanoforms always occurred as aggregates with nominal sizes ranging from about 0.5 μm to 1.5 μm

  3. Structure property relationships for the nonlinear optical response of fullerenes

    Science.gov (United States)

    Rustagi, Kailash C.; Ramaniah, Lavanya M.; Nair, Selvakumar V.

    1994-11-01

    We present a phenomenological theory of nonlinear optical response of fullerenes. An empirical tight-binding model is used in conjunction with a classical electromagnetic picture for the screening. Since in bulk media such a picture of screening corresponds to the self- consistent field approach, the only additional approximation involved in our approach is the neglect of nonlocality. We obtain reliable estimates for the linear and nonlinear susceptibilities of C60, C70, C76 and other pure carbon fullerenes and also substituted fullerenes. The relatively large values of (beta) that we obtain for C76 and substituted fullerenes appear promising for the development of fullerene-based nonlinear optical materials. Our phenomenological picture of screening provides a good understanding of the linear absorption spectra of higher fullerenes and predicts that a comparison of the one-photon and multi-photon spectra will provide an insight into screening effects in these systems.

  4. Electrical and optical design and characterisation of regioregular poly(3-hexylthiophene-2,5diyl)/fullerene-based heterojunction polymer solar cells

    NARCIS (Netherlands)

    Chirvase, D; Chiguvare, Z; Knipper, A; Parisi, J; Dyakonov, [No Value; Hummelen, JC; Knipper, M.

    2003-01-01

    Electrical and optical properties of poly(3-hexylthiophene-2,5diyl) (P3HT-2,5diyl) used as the main component in a bulk heterojunction polymer/fullerene solar cell were investigated. The HOMO level of the polymer was estimated at about 4.7-5.1 eV, from the observed space charge limited current (SCLC

  5. Electron capture by fluorinated fullerene anions in collisions with Xe atoms

    DEFF Research Database (Denmark)

    Boltalina, OV; Hvelplund, P; Jørgensen, Thomas J. D.;

    2000-01-01

    Electron capture by 50-keV fluorinated fullerene anions (C60Fn- 18produced in either a plasma or an electrospray ion source hits been studied in collisions with Xe atoms, The relative importance of nondissociative vs dissociative electron capture was found to depend strongly on the ion pro...... production method and on the number of attached F atoms. The absolute size of the cross section similar to 10(-16) cm(2) has been modeled within the over-the-barrier model......Electron capture by 50-keV fluorinated fullerene anions (C60Fn- 18produced in either a plasma or an electrospray ion source hits been studied in collisions with Xe atoms, The relative importance of nondissociative vs dissociative electron capture was found to depend strongly on the ion...

  6. Generation, Characterization and Applications of Fullerenes

    Science.gov (United States)

    Liu, Shengzhong

    A contact-arc sputtering configuration has been adopted and optimized in order to generate fullerene-containing soot. Several stages of design improvements have made our equipment more effective in terms of yield and production rate. Upon modification of Wudl's Soxhlet separation procedure, we have been able to significantly speed up C_ {60} separation and higher fullerene enrichment. At least ten more separable HPLC peaks after C_ {84} have been observed for the first time. Preliminary laser desorption time of flight mass spectra suggest that our enriched higher fullerene sample possibly contains, C_{86}, C_{88}, C_ {90}, C_{92} , C_{94} and C _{96} in addition to the previously isolated smaller fullerenes C_ {60}, C_{70} , C_{76}, C _{78}(D_2), C_{78}(C_ {rm 2v}) and C_{84 }. Among these, C_{86 }, C_{88}, C_{92} show up for the first time in separable amounts and the controversial species --C_{94} appears present too. HPLC has been successfully used for high fullerene separation, pure C_{76}, C_{84} samples so far having been obtained. Fullerene decomposition (especially of higher fullerenes) in the column has been clearly identified. We defined HPLC peaks indicate that the oxidation process may follow certain "well defined" routes. A yellow epoxide band containing various oxides of C_{60 } has been extracted and characterized using mass spectrometry. Characterizations of pure C _{60} and C_{70 } include HPLC, mass spectrometry, vibrational IR and Raman spectroscopy, STM, TEM etc. Our Raman measurements completed the full assignment of C_{60 } fundamental modes and supplied more structural information on C_{70}. STM imaging supplied clear pictures of both C_ {60} and C_{70} molecular topologies. Especially for C _{70}, both the long and the short axes of the molecule have been clearly resolved. TEM observations involving imaging, diffraction and electron energy loss spectroscopy of crystalline C_{60} and C_{70} were performed. The room temperature lattice

  7. Encapsulation of Mo2C in MoS2 inorganic fullerene-like nanoparticles and nanotubes

    Science.gov (United States)

    Wiesel, Inna; Popovitz-Biro, Ronit; Tenne, Reshef

    2013-01-01

    Mo2C nanoparticles encapsulated within MoS2 inorganic fullerene-like nanoparticles and nanotubes were produced by carbothermal reaction at 1200-1300 °C inside a vertical induction furnace. The particles were analyzed using various electron microscopy techniques and complementary methods.

  8. Evidence for fullerene in a coal of Yunnan, Southwestern China

    International Nuclear Information System (INIS)

    In two types of coal from a coal mine in Yunnan Province, Southwestern China, the presence of fullerene is confirmed. The fullerene had been suggested earlier by its characteristic infrared absorption spectrum. The present work reports verification by a high performance liquid chromatograph. A critical step leading to the confirmation is in the process of preparation of the liquid solution from the coal for chromatography and this is described. Possible conditions for the search of natural fullerenes are suggested. (orig.)

  9. A poly(p-phenylene ethynylene vinylene) with pendant fullerenes

    OpenAIRE

    Marcos Ramos, A.; Rispens, M.T; Hummelen, J.C.; Janssen, R. A. J.

    2001-01-01

    In order to obtain a predefined nanoscopic phase segregation of semiconducting polymers and fullerenes for application in photovoltaic devices we have prepared a conjugated polymer with dangling fullerenes. For this purpose an oligo(p-phenylene vinylene) with acetylene end groups has been polymerized with a diiodo-aryl-fullerene derivative via a Pd-catalyzed coupling reaction. Photoinduced absorption (PIA) and photoluminescence spectra give evidence of a photoinduced electron transfer in this...

  10. Using water-soluble C60 fullerenes in anticancer therapy

    OpenAIRE

    Prylutska, S. V.; Burlaka, A. P.; Klymenko, P. P.; Grynyuk, I. I.; Prylutskyy, Yu I.; Schütze, Ch.; Ritter, U.

    2011-01-01

    Growth experiments of transplanted malignant tumors in the presence of water-soluble C60 fullerenes were performed on groups of mice. It was found that C60 fullerenes efficiently inhibit the growth of transplanted malignant tumors. This behavior can be explained through their high antioxidant activity and the blocking of the specific cell receptors (for example, endothelial growth factor). The findings demonstrate the possibility of using C60 fullerenes in anticancer therapy.

  11. A hydrodynamical model including phase transition and the transverse momentum spectra of identified charged particles produced in Au-Au collisions at RHIC energies

    CERN Document Server

    Jiang, Zhi-Jin; Zhang, Yu

    2016-01-01

    It is widely believed that the quark-gluon plasma (QGP) might be formed in heavy ion collisions. It is also widely recognized that the relativistic hydrodynamics is one of the best tools for describing the process of expansion and particlization of QGP. In this paper, one dimensional hydrodynamic model involving the phase transition from QGP state to hadronic state is used to analyze the transverse momentum spectra of identified charged particles produced in heavy ion collisions. The analytical solutions are presented. A comparison is made between the theoretical predictions and experimental data. The theoretical model works well in Au-Au collisions at sqrt(s_NN)=200 and 130 GeV at RHIC.

  12. Measurement of the azimuthal anisotropy of charged particles produced in 5.02~TeV Pb+Pb collisions with the ATLAS detector

    CERN Document Server

    The ATLAS collaboration

    2016-01-01

    The data collected by the ATLAS experiment during the 2015 heavy ion LHC run offers new opportunities to probe properties of the Quark-Gluon Plasma at unprecedented high temperatures and densities. Study of the azimuthal anisotropy of produced particles not only constrains our understanding of initial conditions of nuclear collisions and soft particle collective dynamics, but also sheds light on jet-quenching phenomena via measurement of flow harmonics at high transverse momenta. A new ATLAS measurement of elliptic flow and higher-order Fourier harmonics of charged particles in Pb+Pb collisions at $\\sqrt{s_{\\mathrm{NN}}}$ = 5.02~TeV in a wide range of transverse momenta, pseudorapidity ($|\\eta| <$ 2.5) and collision centrality is presented. These measurements are based on the Scalar Product and Two Particle Correlation methods. The measurements are compared with the results for Pb+Pb collisions at the lower energy.

  13. The Use of Solar Energy for the Production of Fullerenes and Porous Silicon

    OpenAIRE

    Laplaze, D.; Bernier, P.; Journet, C.; Sauvajol, J.; Bormann, D.; G. Flamant; Lebrun, M

    1997-01-01

    We have previously shown that the high intensity of solar radiation, obtained with the Odeillo (France) solar furnace facilities, can be used to vaporize graphite in inert gas atmosphere and to produce fullerenes. After a short survey of the vaporization-condensation method used here, we discuss some of the mechanisms of formation of these molecules and the possibility of increasing the yield, which currently reaches 20%. This technique which presents substantial advantages (use of powders, s...

  14. NOVEL SYNTHESIS AND CHARACTERIZATION OF INORGANIC FULLERENE TYPE WS2 AND GRAPHENE HYBRIDS

    OpenAIRE

    Maxson, Ashley R.

    2013-01-01

    Approved for public release; distribution is unlimited With the aim to develop personal protection systems with improved mechanical properties and reduced weight, this research combined graphene with tungsten disulfide, and studied this hybrid system included in epoxy resin. A novel plasma production process generated nanometric size tungsten oxide (WO3) spherical particles. The nanospheres were sulfurized to produce inorganic-fullerene type tungsten disulfide (IF-WS2). The plasma IF-WS2 p...

  15. Szeged Matrix Property Indices as Descriptors to Characterize Fullerenes

    Directory of Open Access Journals (Sweden)

    Jäntschi Lorentz

    2016-12-01

    Full Text Available Fullerenes are class of allotropes of carbon organized as closed cages or tubes of carbon atoms. The fullerenes with small number of atoms were not frequently investigated. This paper presents a detailed treatment of total strain energy as function of structural feature extracted from isomers of C40 fullerene using Szeged Matrix Property Indices (SMPI. The paper has a two-fold structure. First, the total strain energy of C40 fullerene isomers (40 structures was linked with SMPI descriptors under two scenarios, one which incorporate just the SMPI descriptors and the other one which contains also five calculated properties (dipole moment, scf-binding-energy, scf-core-energy, scf-electronic-energy, and heat of formation. Second, the performing models identified on C40 fullerene family or the descriptors of these models were used to predict the total strain energy on C42 fullerene isomers. The obtained results show that the inclusion of properties in the pool of descriptors led to the reduction of accurate linear models. One property, namely scf-binding-energy proved a significant contribution to total strain energy of C40 fullerene isomers. However, the top-three most performing models contain just SMPI descriptors. A model with four descriptors proved most accurate model and show fair abilities in prediction of the same property on C42 fullerene isomers when the approach considered the descriptors identified on C40 as the predicting descriptors for C42 fullerene isomers.

  16. Super-atom molecular orbital excited states of fullerenes.

    Science.gov (United States)

    Johansson, J Olof; Bohl, Elvira; Campbell, Eleanor E B

    2016-09-13

    Super-atom molecular orbitals are orbitals that form diffuse hydrogenic excited electronic states of fullerenes with their electron density centred at the centre of the hollow carbon cage and a significant electron density inside the cage. This is a consequence of the high symmetry and hollow structure of the molecules and distinguishes them from typical low-lying molecular Rydberg states. This review summarizes the current experimental and theoretical studies related to these exotic excited electronic states with emphasis on femtosecond photoelectron spectroscopy experiments on gas-phase fullerenes.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'.

  17. Cyclobuteno[60]fullerenes as Efficient n-Type Organic Semiconductors.

    Science.gov (United States)

    Reboredo, Silvia; Girón, Rosa M; Filippone, Salvatore; Mikie, Tsubasa; Sakurai, Tsuneaki; Seki, Shu; Martín, Nazario

    2016-09-12

    Cyclobuteno[3,4:1,2][60]fullerenes have been prepared in a straightforward manner by a simple reaction between [60]fullerene and readily available allenoates or alkynoates as organic reagents under basic and mild conditions. The chemical structure of the new modified fullerenes has been determined by standard spectroscopic techniques and confirmed by X-ray diffraction analysis. Some of these new fullerene derivatives exhibit a remarkable intrinsic electron mobility (determined by using flash-photolysis time-resolved microwave conductivity (FP-TRMC) measurements), which surpasses that of the well-known phenyl-C61-butyric acid methyl ester, thus behaving as promising n-type organic semiconductors. PMID:27554067

  18. Biomedical applications of functionalized fullerene-based nanomaterials

    Directory of Open Access Journals (Sweden)

    Ranga Partha

    2009-11-01

    Full Text Available Ranga Partha, Jodie L ConyersCenter for Translational Injury Research, The University of Texas Health Science Center, Houston, TX 77030, USAAbstract: Since their discovery in 1985, fullerenes have been investigated extensively due to their unique physical and chemical properties. In recent years, studies on functionalized fullerenes for various applications in the field of biomedical sciences have seen a significant increase. The ultimate goal is towards employing these functionalized fullerenes in the diagnosis and therapy of human diseases. Functionalized fullerenes are one of the many different classes of compounds that are currently being investigated in the rapidly emerging field of nanomedicine. In this review, the focus is on the three categories of drug delivery, reactive oxygen species quenching, and targeted imaging for which functionalized fullerenes have been studied in depth. In addition, an exhaustive list of the different classes of functionalized fullerenes along with their applications is provided. We will also discuss and summarize the unique approaches, mechanisms, advantages, and the aspect of toxicity behind utilizing functionalized fullerenes for biomedical applications.Keywords: fullerenes, functionalized fullerenes, nanomedicine, drug delivery, buckysomes, radiation protection

  19. A search for hydrogenated fullerenes in fullerene-containing planetary nebulae

    Science.gov (United States)

    Díaz-Luis, J. J.; García-Hernández, D. A.; Manchado, A.; Cataldo, F.

    2016-05-01

    Detections of C60 and C70 fullerenes in planetary nebulae (PNe) of the Magellanic Clouds and of our own Galaxy have raised the idea that other forms of carbon, such as hydrogenated fullerenes (fulleranes like C60H36 and C60H18), buckyonions, and carbon nanotubes, may be widespread in the Universe. Here we present VLT/ISAAC spectra (R ~ 600) in the 2.9-4.1 μm spectral region for the Galactic PNe Tc 1 and M 1-20, which have been used to search for fullerene-based molecules in their fullerene-rich circumstellar environments. We report the non-detection of the most intense infrared bands of several fulleranes around ~3.4-3.6 μm in both PNe. We conclude that if fulleranes are present in the fullerene-containing circumstellar environments of these PNe, then they seem to be much less abundant than C60 and C70. Our non-detections, together with the (tentative) fulleranes detection in the proto-PN IRAS 01005+7910, suggest that fulleranes may be formed in the short transition phase between AGB stars and PNe, but they are quickly destroyed by the UV radiation field from the central star.

  20. A search for hydrogenated fullerenes in fullerene-containing planetary nebulae

    CERN Document Server

    Díaz-Luis, J J; Manchado, A; Cataldo, F

    2016-01-01

    Detections of C60 and C70 fullerenes in planetary nebulae (PNe) of the Magellanic Clouds and of our own Galaxy have raised the idea that other forms of carbon such as hydrogenated fullerenes (fulleranes like C60H36 and C60H18), buckyonions, and carbon nanotubes, may be widespread in the Universe. Here we present VLT/ISAAC spectra (R ~600) in the 2.9-4.1 microns spectral region for the Galactic PNe Tc 1 and M 1-20, which have been used to search for fullerene-based molecules in their fullerene-rich circumstellar environments. We report the non-detection of the most intense infrared bands of several fulleranes around ~3.4-3.6 microns in both PNe. We conclude that if fulleranes are present in the fullerene-containing circumstellar environments of these PNe, then they seem to be by far less abundant than C60 and C70. Our non-detections together with the (tentative) fulleranes detection in the proto-PN IRAS 01005+7910 suggest that fulleranes may be formed in the short transition phase between AGB stars and PNe but...

  1. Supramolecular solubilization of fullerenes and radio-fullerenes in aqueous media

    International Nuclear Information System (INIS)

    In this paper we are dealing with the supramolecular complexation of fullerenes C60, C70, some functionalized fullerenes and of the dumbbell structured C120 dimer, with two host molecules, namely γ-cyclo-dextrin (GCD), and sulfocalix[8]arene in order to make them soluble in water. Previous investigations by others have shown that the reactions of some mentioned fullerenes and cyclo-dextrins and calixarenes are very slow and tedious in liquid phase as a result of solvatation effects. That we have decided to pursue the supramolecular complexation as solid-solid reactions by using mechanochemical activation in a ball mill. A mechanochemical treatment was used to enhance chemical reactivity in solid-solid reactions in which GCD give a complex with the C60 as 2:1 host-guest complex. The calix[8]arene complex with C60 molecule has been prepared. The sulfonated form of the host is well soluble in water. Endohedral radio-fullerenes of the XandC60 type (where *X is a rare gas, e.g. Ar, Xe, Kr, radionuclide) were prepared by nuclear recoil after neutron irradiation, a method developed by the author The endohedrally labelled fullerenes were then mechanochemically complexed into a labelled supramolecular complex with cyclo-dextrin and calixarene hosts. (author)

  2. Interaction between fullerene-wheeled nanocar and gold substrate: A DFT study

    Science.gov (United States)

    Ahangari, M. Ghorbanzadeh; Ganji, M. Darvish; Jalali, A.

    2016-09-01

    Since the successful synthesis of nanocar and its surprising movement on the gold surface, several theoretical investigations have been devoted to explain the interaction properties as well as its movement mechanism on the substrate. All of them failed, however, to gain a clear theoretical insight into the respected challenges because of the weak computational methods implemented for this complex system including heavy metal atoms and giant size of the whole system. In this work, we have investigated the adsorption of fullerene-wheeled nanocar onto a Au (1 1 1) substrate using the comprehensive first-principles density functional theory (DFT) simulations. The binding energy between the nanocar and Au (1 1 1) surface was determined to be -9.43 eV (-217.45 kcal/mol). The net charge transfer from the nanocar to the gold substrate was calculated to be about 9.56 electrons. Furthermore, the equilibrium distances between the Au surface and the C60 molecule and nanocar chassis were estimated to be 2.20 Å and 2.30 Å, respectively. The BSSE correction was also considered in the binding energy estimation and the result show that the BSSE correction significantly affects the calculated binding energy for such systems. Finally, we have performed ab initio molecular dynamics simulation for a single C60 fullerene on the gold surface at room temperature. Our first-principles result shows that ambient condition affect remarkably on the adsorption property of fullerene on the gold surface. We also observed that the C60 fullerene wheel slips by approximately 3.90 Å within 5 ps of simulation time at 300 K.

  3. Carbon nanostructures produced through ion irradiation

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Several nanostructures we produced by ion irradiation have been reviewed in this paper. By using ions to irradiate two ultrahigh molecular weight polyethylene targets respectively, it was found that small fullerenes C20 and C26 were grown, adding two members to the fullerene family. Meanwhile, crystalline diamonds also have been produced by Ar+ ions irradiation of graphite. In the experiment of double ions Ni+ and Ar+ irradiation, nanoscale argon bubbles formed. On the other side, when multi-wall carbon nanotubes were irradiated by C+, many MWCNTs evolved to amorphous carbon nanowires and amorphous carbon nanotubes. And there are possible welding in the crossed nanotubes.

  4. Higher fullerenes : isolation, halogenation and structural studies

    OpenAIRE

    Simeonov, Kalin

    2009-01-01

    The present work might formally be subdivided into two sections. Within the frames of the first section, the chromatographic methods, systems and techniques used in obtaining of isomerically pure fullerene species in preparative amounts are widely discussed. The following eleven fullerene isomers have been obtained in bulk amounts: D2-C76(1), D3-C78(1), C2v-C78(2), C2v-C78(3), D3h-C78(5), D2-C80(2), a C2-C82, a C2-C84, Cs-C84(14), a D2-C84 and a D2d-C84. Among these, D3h-C78(5) has been isola...

  5. Fullerene and fullerites. New modern materials

    International Nuclear Information System (INIS)

    The discovery of a new form of pure carbon - giant molecules called fullerenes and subsequently of a new crystalline form of carbon - fullerite crystals - has been a full-scale scientific boom over the past few years. Hundreds of laboratories all over the world are being engaged in synthesizing and studying fullerenes and fullerites and their derivatives, the number of publications amounts to two thousand, and the rate and scope of researches goes on growing. This report is not a scientific review and it is not my aim to establish scientific priorities. This is rather a popular lecture that better fits in with the spirit of this session. In view of this, not to overburden my report, I shall not make individual references in the text and figures since, to be exact and consistent, the number of such references must be very large. At the end of my lecture I shall give references to several recent very good reviews devoted to individual problems of fullerene physics and chemistry. The reader will find the necessary references to originals in these reviews. (orig.)

  6. Applications of Anti/Prooxidant Fullerenes in Nanomedicine along with Fullerenes Influence on the Immune System

    Directory of Open Access Journals (Sweden)

    Danijela Petrovic

    2015-01-01

    Full Text Available Fullerenes are molecules that, due to their unique structure, have very specific chemical properties which offer them very wide array of applications in nanomedicine. The most prominent are protection from radiation-induced injury, neuroprotection, drug and gene delivery, anticancer therapy, adjuvant within different treatments, photosensitizing, sonosensitizing, bone reparation, and biosensing. However, it is of crucial importance to be elucidated how fullerenes immunomodulate human system of defense. In addition, the most current research, merging immunology and nanomedicine, results in development of nanovaccines, which may represent the milestone of future treatment of diseases.

  7. Growth of thin fullerene films by matrix assisted pulsed laser evaporation

    DEFF Research Database (Denmark)

    Canulescu, Stela; Schou, Jørgen; Fæster, Søren

    C60 fullerene thin films of average thickness of more than 100 nm on silicon substrates can be produced in vacuum by matrix-assisted pulsed laser evaporation (MAPLE). A 355 nm Nd:YAG laser was directed onto a frozen target of anisole with a concentration of 0.67 wt% C60. At laser fluences below 1.......5 J/cm2 the dominant fraction of the film molecules are C60 transferred to the substrate without any fragmentation. For high fluences high-resolution SEM images of MAPLE deposited films reveal large circular features on the surface with high amount of material concentrated at edges. These features......, observed over a wide range of laser fluences, are caused by ejection of large matrix-fullerene liquid droplets into the gas-phase and subsequent deposition. At similar laser energies, but using an unfocused laser beam, MAPLE favours evaporation of matrix and organic molecules, resulting in films...

  8. Matrix Assisted Pulsed Laser Evaporation for growth of fullerene thin films

    DEFF Research Database (Denmark)

    Canulescu, Stela; Schou, Jørgen; Fæster Nielsen, Søren

    C60 fullerene thin films of average thickness of more than 100 nm can be produced in vacuum by matrix-assisted pulsed laser evaporation (MAPLE). A 355 nm Nd:YAG laser was directed onto a frozen target of anisole with a concentration of 0.67 wt% C60. At laser fluences below 1.5 J/cm2, a dominant...... fraction of the film molecules are C60 transferred to the substrate without any fragmentation. Highresolution SEM images of MAPLE deposited films reveal large circular droplets on the surface with high amount of material concentrated at edges (Fig. 1A). These features, observed over a wide range of laser...... fluences, are caused by ejection of large matrix-fullerene liquid droplets into the gas-phase and subsequent deposition. At similar laser energies, but using an unfocused laser beam, MAPLE favours evaporation of matrix and organic molecules, resulting in production of films with smooth surfaces and minimal...

  9. Functionalized O6-Corona[6]arenes: Synthesis, Structure, and Fullerene Complexation Property.

    Science.gov (United States)

    Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang

    2016-07-01

    The synthesis, structure, and fullerene complexation property of novel and functionalized On-corona[n]arenes were reported. Based on the fragment coupling strategy, ester-containing On-corona[n]arenes (n = 6, 8) were obtained readily starting from 1,4-hydroquinone and diethyl 2,5-difluoroterephthalate. Reduction of esters with LiAlH4 produced almost quantitatively hydroxymethylated On-corona[n]arenes, which underwent etherification with MeI to afford methoxymethyl-substituted On-corona[n]arenes (n = 6, 8) in good yields. The macrocycles adopt unique corona-type conformation with a large cylindroid cavity. They are strong macrocyclic host molecules to form 1:1 complexes with fullerenes C60 and C70 in toluene with an associate constant up to (1.59 ± 0.04) × 10(5) M(-1). PMID:27324274

  10. Functionalized O6-Corona[6]arenes: Synthesis, Structure, and Fullerene Complexation Property.

    Science.gov (United States)

    Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang

    2016-07-01

    The synthesis, structure, and fullerene complexation property of novel and functionalized On-corona[n]arenes were reported. Based on the fragment coupling strategy, ester-containing On-corona[n]arenes (n = 6, 8) were obtained readily starting from 1,4-hydroquinone and diethyl 2,5-difluoroterephthalate. Reduction of esters with LiAlH4 produced almost quantitatively hydroxymethylated On-corona[n]arenes, which underwent etherification with MeI to afford methoxymethyl-substituted On-corona[n]arenes (n = 6, 8) in good yields. The macrocycles adopt unique corona-type conformation with a large cylindroid cavity. They are strong macrocyclic host molecules to form 1:1 complexes with fullerenes C60 and C70 in toluene with an associate constant up to (1.59 ± 0.04) × 10(5) M(-1).

  11. Polarizabilities and van der Waals C6 coefficients of fullerenes from an atomistic electrodynamics model: Anomalous scaling with number of carbon atoms.

    Science.gov (United States)

    Saidi, Wissam A; Norman, Patrick

    2016-07-14

    The van der Waals C6 coefficients of fullerenes are shown to exhibit an anomalous dependence on the number of carbon atoms N such that C6 ∝ N(2.2) as predicted using state-of-the-art quantum mechanical calculations based on fullerenes with small sizes, and N(2.75) as predicted using a classical-metallic spherical-shell approximation of the fullerenes. We use an atomistic electrodynamics model where each carbon atom is described by a polarizable object to extend the quantum mechanical calculations to larger fullerenes. The parameters of this model are optimized to describe accurately the static and complex polarizabilities of the fullerenes by fitting against accurate ab initio calculations. This model shows that C6 ∝ N(2.8), which is supportive of the classical-metallic spherical-shell approximation. Additionally, we show that the anomalous dependence of the polarizability on N is attributed to the electric charge term, while the dipole-dipole term scales almost linearly with the number of carbon atoms.

  12. Polarizabilities and van der Waals C6 coefficients of fullerenes from an atomistic electrodynamics model: Anomalous scaling with number of carbon atoms

    Science.gov (United States)

    Saidi, Wissam A.; Norman, Patrick

    2016-07-01

    The van der Waals C6 coefficients of fullerenes are shown to exhibit an anomalous dependence on the number of carbon atoms N such that C6 ∝ N2.2 as predicted using state-of-the-art quantum mechanical calculations based on fullerenes with small sizes, and N2.75 as predicted using a classical-metallic spherical-shell approximation of the fullerenes. We use an atomistic electrodynamics model where each carbon atom is described by a polarizable object to extend the quantum mechanical calculations to larger fullerenes. The parameters of this model are optimized to describe accurately the static and complex polarizabilities of the fullerenes by fitting against accurate ab initio calculations. This model shows that C6 ∝ N2.8, which is supportive of the classical-metallic spherical-shell approximation. Additionally, we show that the anomalous dependence of the polarizability on N is attributed to the electric charge term, while the dipole-dipole term scales almost linearly with the number of carbon atoms.

  13. Endohedral fullerenes: a concurrent characterization by means of synchrotron radiation X-ray and IR spectroscopy

    Science.gov (United States)

    Xu, Wei; Marcelli, Augusto; Liu, Lei; Wang, Chunru; Wu, Ziyu

    2013-04-01

    Endohedral Metal Fullerenes exhibit a great variety of physical and chemical properties depending on the metal inserted into the cage. These systems are molecular conductors, magnets, ferroelectrics and also superconductors representing extremely promising materials for advanced technologies such as nano-medicine. Here we present temperature-dependent XANES and FTIR investigations of two La@C82 EMF isomers. The combinatorial investigation shows that guest ions move inside the cage perturbing the vibrational states of the carbon cage due to the charge transfer dynamics. Moreover, the principal component analysis points out a discrepancy between temperature-dependent FTIR and XANES based on the occurrence of a non-equilibrium process between charge transfer and cage dynamics. We propose to perform simultaneous time-resolved X-ray and infrared spectroscopy studies to resolve the complex interplay among charge, structure and electric properties of these systems.

  14. Ultrafast carrier photogeneration dynamics in polymer: fullerene solar cells probed by photocurrent-detected two-dimensional coherence spectroscopy (Presentation Recording)

    Science.gov (United States)

    Silva, Carlos

    2015-08-01

    In solar cells that incorporate semiconductor polymers as electron donors and fullerene derivatives as acceptors, a number of reports based on ultrafast optical probes reveal that charges can be generated on timescales significantly faster than ~100 fs in certain solid-state microstructures. Techniques that have been applied in these studies include variants of visible transient absorption and photoluminescence spectroscopy, terahertz spectroscopy, time-resolved infrared spectroscopy, and femtosecond stimulated Raman spectroscopy. These probes allow measurement of population dynamics of relevant photoexcitations (excitons, polarons) but do not reveal directly how these interact to produce photocarriers. Here, we present a non-linear coherent spectroscopy, photocurrent-detected two-dimensional spectroscopy (2DPC), which is an ultrafast optical thechnique belonging to a family of 2D Fourier- domain spectroscopies that allows measurement of correlations between optical transitions induced by short optical pulses. In our implementation, spectral correlations are detected via the time-integrated photocurrent produced in a photovoltaic diode. Four collinear ultrashort laser pulses (10 fs, centered at 600 nm in our experimental setup) excite the semiconductor polymer in the solar cell, with a variable delay that is independently controlled between each pulse in the sequence. Each pulse separately excites a quantum wavepacket with spectral phase and amplitude imparted by that pulse, while the effect of the pulse sequence is to collectively excite multiple quantum coherences. Interferences between the various combinations of the wavepackets determine linear and non-linear contributions to the material optical response. The fourth-order signal terms of the detected photocurrent are read using phase-sensitive detection schemes with reference waveforms corresponding to a modulation of specific phase combinations of the four femtosecond excitation pulses. By scanning the time

  15. Nanotribological performance of fullerene-like carbon nitride films

    Energy Technology Data Exchange (ETDEWEB)

    Flores-Ruiz, Francisco Javier; Enriquez-Flores, Christian Ivan [Centro de Investigación y Estudios Avanzados (CINVESTAV) IPN, Unidad Querétaro, Lib. Norponiente 2000, Real de Juriquilla, C.P. 76230, Querétaro, Qro., México (Mexico); Chiñas-Castillo, Fernando, E-mail: fernandochinas@gmail.com [Department of Mechanical Engineering, Instituto Tecnológico de Oaxaca, Oaxaca, Oax. Calz. Tecnológico No. 125, CP. 68030, Oaxaca, Oax. (Mexico); Espinoza-Beltrán, Francisco Javier [Centro de Investigación y Estudios Avanzados (CINVESTAV) IPN, Unidad Querétaro, Lib. Norponiente 2000, Real de Juriquilla, C.P. 76230, Querétaro, Qro., México (Mexico)

    2014-09-30

    Highlights: • Fullerene-like CNx samples show an elastic recovery of 92.5% and 94.5% while amorphous CNx samples had only 75% elastic recovery. • Fullerene-like CNx films show an increment of 34.86% and 50.57% in fractions of C 1s and N 1s. • Fullerene-like CNx samples show a lower friction coefficient compared to amorphous CNx samples. • Friction reduction characteristics of fullerene-like CNx films are strongly related to the increase of sp{sup 3} CN bonds. - Abstract: Fullerene-like carbon nitride films exhibit high elastic modulus and low friction coefficient. In this study, thin CNx films were deposited on silicon substrate by DC magnetron sputtering and the tribological behavior at nanoscale was evaluated using an atomic force microscope. Results show that CNx films with fullerene-like structure have a friction coefficient (CoF ∼ 0.009–0.022) that is lower than amorphous CNx films (CoF ∼ 0.028–0.032). Analysis of specimens characterized by X-ray photoelectron spectroscopy shows that films with fullerene-like structure have a higher number of sp{sup 3} CN bonds and exhibit the best mechanical properties with high values of elastic modulus (E > 180 GPa) and hardness (H > 20 GPa). The elastic recovery determined on specimens with a fullerene-like CNx structure was of 95% while specimens of amorphous CNx structure had only 75% elastic recovery.

  16. Continuum simulations of water flow past fullerene molecules

    DEFF Research Database (Denmark)

    Popadic, A.; Praprotnik, M.; Koumoutsakos, P.;

    2015-01-01

    as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently by continuum flow...

  17. Fullerenes and Noble Gases in the Murchison and Allende Meteorites

    Science.gov (United States)

    Becker, Luann; Poreda, Robert J.; Bunch, Ted E.

    2000-01-01

    In this work we report the detection of fullerenes (C60 to C250) in the Murchison and Allende meteorites. By exploiting the unique ability of these molecules to trap noble gases, we have determined that fullerene is indeed a new carrier phase for noble gases in meteorites.

  18. New Penta(tetrathiafulvalenyl)[60]fullerenes for Supramolecular Materials.

    Science.gov (United States)

    Busseau, Antoine; Villegas, Carmen; Dabos-Seignon, Sylvie; Cabanetos, Clément; Hudhomme, Piétrick; Legoupy, Stéphanie

    2016-06-13

    New penta(organo)fullerenes donor-acceptor systems bearing five tetrathiafulvalene recognition units have been synthesized to promote self-assemblies similar in appearance to shuttlecocks nested into each other thanks to the conical host cavity created around the fullerene together with the π-π and electronic interactions. PMID:27061313

  19. Synthesis and Characterization of [60]Fullerene Ferrocenylmethyl Derivatives

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Two new [60]fullerene ferrocenylmethyl derivatives have been prepared via different approaches and characterized by UV-Vis、 FT-IR、 NMR、 FAB-MS spectra and VPO. The second approach , i.e reacting fullerene with ferrocenylmethyl azide directly, was never reported as yet.

  20. Redoxaktive Metalloporphyrin-[60]Fulleren-Konjugate - Struktur und Eigenschaften -

    OpenAIRE

    Dannhäuser, Jörg

    2008-01-01

    Diese Arbeit befasst sich mit der Synthese und Charakterisierung von kovalent verknüpften Metalloporphyrin-Fulleren-Derivaten. Besonderes Augenmerk wird dabei auf die Untersuchung der elektronischen Wechselwirkungen zwischen den Chromophoren gelegt. This theses deals with the synthesis and characterization of covalently linked metalloporphyrin-fullerene derivatives. Thereby, particular attention is paid to the investigation of the electronic interaction between the chromophores.

  1. In vivo biology and toxicology of fullerenes and their derivatives

    DEFF Research Database (Denmark)

    Nielsen, Gunnar Damgård; Roursgaard, Martin; Jensen, Keld Alstrup;

    2008-01-01

    Fullerenes represent a group of nanoparticles discovered in 1985. They are spherical molecules consisting entirely of carbon atoms (C(x)) to which side chains can be added, furnishing compounds with widely different properties. Fullerenes interact with biological systems, for example, by enzyme...

  2. Multifunctional Fullerene Derivative for Interface Engineering in Perovskite Solar Cells.

    Science.gov (United States)

    Li, Yaowen; Zhao, Yue; Chen, Qi; Yang, Yang Michael; Liu, Yongsheng; Hong, Ziruo; Liu, Zonghao; Hsieh, Yao-Tsung; Meng, Lei; Li, Yongfang; Yang, Yang

    2015-12-16

    In perovskite based planar heterojunction solar cells, the interface between the TiO2 compact layer and the perovskite film is critical for high photovoltaic performance. The deep trap states on the TiO2 surface induce several challenging issues, such as charge recombination loss and poor stability etc. To solve the problems, we synthesized a triblock fullerene derivative (PCBB-2CN-2C8) via rational molecular design for interface engineering in the perovskite solar cells. Modifying the TiO2 surface with the compound significantly improves charge extraction from the perovskite layer. Together with its uplifted surface work function, open circuit voltage and fill factor are dramatically increased from 0.99 to 1.06 V, and from 72.2% to 79.1%, respectively, resulting in 20.7% improvement in power conversion efficiency for the best performing devices. Scrutinizing the electrical properties of this modified interfacial layer strongly suggests that PCBB-2CN-2C8 passivates the TiO2 surface and thus reduces charge recombination loss caused by the deep trap states of TiO2. The passivation effect is further proven by stability testing of the perovskite solar cells with shelf lifetime under ambient conditions improved by a factor of more than 4, from ∼40 h to ∼200 h, using PCBB-2CN-2C8 as the TiO2 modification layer. This work offers not only a promising material for cathode interface engineering, but also provides a viable approach to address the challenges of deep trap states on TiO2 surface in planar perovskite solar cells. PMID:26592525

  3. The role of fullerene shell upon stuffed atom polarization potential

    Science.gov (United States)

    Amusia, Miron; Chernysheva, Larissa

    2016-05-01

    We have demonstrated that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects the electron elastic scattering phases as well as corresponding cross-sections. We illustrate the general trend by concrete examples of electron scattering upon endohedrals that are formed when Ne and Ar atom are stuffed inside fullerene C60. To obtain the presented results, we have suggested a simplified approach that permits to incorporate the effect of fullerenes polarizability into the endohedrals polarization potential. By applying this approach, we obtained numeric results that show strong variations in shape and magnitudes of scattering phases and cross-sections due to effect of fullerene polarization upon the endohedral polarization potential. Using concrete examples we have demonstrated that the elastic scattering of electrons upon endohedrals is an entirely quantum mechanical process, where addition of even a single atom can qualitatively alter the multi-particle cross-section.

  4. Nanoencapsulation of Fullerenes in Organic Structures with Nonpolar Cavities

    Science.gov (United States)

    Murthy, C. N.

    2005-01-01

    The formation of supramolecular structures, assemblies, and arrays held together by weak intermolecular interactions and non-covalent binding mimicking natural processes has been used in applications being anticipated in nanotechnology, biotechnology and the emerging field of nanomedicine. Encapsulation of C60 fullerene by cyclic molecules like cyclodextrins and calixarenes has potential for a number of applications. Similarly, biomolecules like lysozyme also have been shown to encapsulate C60 fullerene. This poster article reports the recent trends and the results obtained in the nanoencapsulation of fullerenes by biomolecules containing nonpolar cavities. Lysozyme was chosen as the model biomolecule and it was observed that there is no covalent bond formed between the bimolecule and the C60 fullerene. This was confirmed from fluorescence energy transfer studies. UV Vis studies further supported this observation that it is possible to selectively remove the C60 fullerene from the nonpolar cavity. This behavior has potential in biomedical applications

  5. Chemical Reaction and Flow Modeling in Fullerene and Nanotube Production

    Science.gov (United States)

    Scott, Carl D.; Farhat, Samir; Greendyke, Robert B.

    2004-01-01

    The development of processes to produce fullerenes and carbon nanotubes has largely been empirical. Fullerenes were first discovered in the soot produced by laser ablation of graphite [1]and then in the soot of electric arc evaporated carbon. Techniques and conditions for producing larger and larger quantities of fullerenes depended mainly on trial and error empirical variations of these processes, with attempts to scale them up by using larger electrodes and targets and higher power. Various concepts of how fullerenes and carbon nanotubes were formed were put forth, but very little was done based on chemical kinetics of the reactions. This was mainly due to the complex mixture of species and complex nature of conditions in the reactors. Temperatures in the reactors varied from several thousand degrees Kelvin down to near room temperature. There are hundreds of species possible, ranging from atomic carbon to large clusters of carbonaceous soot, and metallic catalyst atoms to metal clusters, to complexes of metals and carbon. Most of the chemical kinetics of the reactions and the thermodynamic properties of clusters and complexes have only been approximated. In addition, flow conditions in the reactors are transient or unsteady, and three dimensional, with steep spatial gradients of temperature and species concentrations. All these factors make computational simulations of reactors very complex and challenging. This article addresses the development of the chemical reaction involved in fullerene production and extends this to production of carbon nanotubes by the laser ablation/oven process and by the electric arc evaporation process. In addition, the high-pressure carbon monoxide (HiPco) process is discussed. The article is in several parts. The first one addresses the thermochemical aspects of modeling; and considers the development of chemical rate equations, estimates of reaction rates, and thermodynamic properties where they are available. The second part

  6. Fullerenes as alternative acceptors by transfer doping of diamond surfaces; Fullerene als alternative Akzeptoren bei der Transferdotierung von Diamantoberflaechen

    Energy Technology Data Exchange (ETDEWEB)

    Strobel, Paul

    2008-06-06

    The topic of this thesis is the fullerene induced surface conductivity on hydrogen terminated diamond. A systematic investigation of C{sub 60}, C{sub 60}F{sub 18}, C{sub 60}F{sub 36} and C{sub 60}F{sub 48} as transfer dopants on hydrogenated diamond has been performed. For C{sub 60}, the doping mechanism is more accurately described as a charge exchange in an extreme type II heterojunction. On the other hand a molecular surface acceptor model that takes the degeneracy of holes and the electric field caused by charge separation into account has been performed for the case of C{sub 60}F{sub 48} in excellent agreement with experimental results. Using in situ Hall Effect measurements of air, C{sub 60}, and C{sub 60}F{sub 48} induced conductivity the sign of the charge carriers that dominate the transport properties was determined. At ambient temperature the hole mobility {mu} as a function of the induced charge carrier density p between p=5.10{sup 10} cm{sup -2} and p=3.10{sup 13} cm{sup -2} was measured. A maximum of the mobility of 130-150 cm{sup 2}V{sup -1}s{sup -1} occurs for p=2.10{sup 1} cm{sup -2}. Temperature dependent Hall measurements between 77 and 350 K show a non-activated, constant charge carrier density on all examinated samples, independently of the kind of adsorbates. On the other hand, both the conductivity and the mobility exhibit temperature dependence, varying with the charge carrier concentration. An essential part of this thesis addressed the investigation and the improvement of the thermal stability of the fullerene layers. In order to achieve the covalent attachment of C{sub 60}F{sub 48} to a hydrogen terminated diamond surface a process for controlled partially hydrolisation was developed. Functionalization with hydroxyl groups could be achieved by using a remote water vapour plasma at room temperature for a few seconds as demonstrated by photoelectron spectroscopy. Prolonged water plasma exposure, however, as well as annealing at temperatures

  7. Measurement of the elliptic anisotropy of charged particles produced in PbPb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV

    CERN Document Server

    Chatrchyan, Serguei; Sirunyan, Albert M; Tumasyan, Armen; Adam, Wolfgang; Bergauer, Thomas; Dragicevic, Marko; Erö, Janos; Fabjan, Christian; Friedl, Markus; Fruehwirth, Rudolf; Ghete, Vasile Mihai; Hammer, Josef; Hörmann, Natascha; Hrubec, Josef; Jeitler, Manfred; Kiesenhofer, Wolfgang; Krammer, Manfred; Liko, Dietrich; Mikulec, Ivan; Pernicka, Manfred; Rahbaran, Babak; Rohringer, Christine; Rohringer, Herbert; Schöfbeck, Robert; Strauss, Josef; Taurok, Anton; Teischinger, Florian; Wagner, Philipp; Waltenberger, Wolfgang; Walzel, Gerhard; Widl, Edmund; Wulz, Claudia-Elisabeth; Mossolov, Vladimir; Shumeiko, Nikolai; Suarez Gonzalez, Juan; Bansal, Sunil; Cerny, Karel; Cornelis, Tom; De Wolf, Eddi A; Janssen, Xavier; Luyckx, Sten; Maes, Thomas; Mucibello, Luca; Ochesanu, Silvia; Roland, Benoit; Rougny, Romain; Selvaggi, Michele; Van Haevermaet, Hans; Van Mechelen, Pierre; Van Remortel, Nick; Van Spilbeeck, Alex; Blekman, Freya; Blyweert, Stijn; D'Hondt, Jorgen; Gonzalez Suarez, Rebeca; Kalogeropoulos, Alexis; Maes, Michael; Olbrechts, Annik; Van Doninck, Walter; Van Mulders, Petra; Van Onsem, Gerrit Patrick; Villella, Ilaria; Charaf, Otman; Clerbaux, Barbara; De Lentdecker, Gilles; Dero, Vincent; Gay, Arnaud; Hreus, Tomas; Léonard, Alexandre; Marage, Pierre Edouard; Reis, Thomas; Thomas, Laurent; Vander Velde, Catherine; Vanlaer, Pascal; Adler, Volker; Beernaert, Kelly; Cimmino, Anna; Costantini, Silvia; Garcia, Guillaume; Grunewald, Martin; Klein, Benjamin; Lellouch, Jérémie; Marinov, Andrey; Mccartin, Joseph; Ocampo Rios, Alberto Andres; Ryckbosch, Dirk; Strobbe, Nadja; Thyssen, Filip; Tytgat, Michael; Vanelderen, Lukas; Verwilligen, Piet; Walsh, Sinead; Yazgan, Efe; Zaganidis, Nicolas; Basegmez, Suzan; Bruno, Giacomo; Ceard, Ludivine; Delaere, Christophe; Du Pree, Tristan; Favart, Denis; Forthomme, Laurent; Giammanco, Andrea; Hollar, Jonathan; Lemaitre, Vincent; Liao, Junhui; Militaru, Otilia; Nuttens, Claude; Pagano, Davide; Pin, Arnaud; Piotrzkowski, Krzysztof; Schul, Nicolas; Beliy, Nikita; Caebergs, Thierry; Daubie, Evelyne; Hammad, Gregory Habib; Alves, Gilvan; Correa Martins Junior, Marcos; De Jesus Damiao, Dilson; Martins, Thiago; Pol, Maria Elena; Henrique Gomes E Souza, Moacyr; Aldá Júnior, Walter Luiz; Carvalho, Wagner; Custódio, Analu; Da Costa, Eliza Melo; De Oliveira Martins, Carley; Fonseca De Souza, Sandro; Matos Figueiredo, Diego; Mundim, Luiz; Nogima, Helio; Oguri, Vitor; Prado Da Silva, Wanda Lucia; Santoro, Alberto; Silva Do Amaral, Sheila Mara; Soares Jorge, Luana; Sznajder, Andre; Souza Dos Anjos, Tiago; Bernardes, Cesar Augusto; De Almeida Dias, Flavia; Tomei, Thiago; De Moraes Gregores, Eduardo; Lagana, Caio; Da Cunha Marinho, Franciole; Mercadante, Pedro G; Novaes, Sergio F; Padula, Sandra; Genchev, Vladimir; Iaydjiev, Plamen; Piperov, Stefan; Rodozov, Mircho; Stoykova, Stefka; Sultanov, Georgi; Tcholakov, Vanio; Trayanov, Rumen; Vutova, Mariana; Dimitrov, Anton; Hadjiiska, Roumyana; Kozhuharov, Venelin; Litov, Leander; Pavlov, Borislav; Petkov, Peicho; Bian, Jian-Guo; Chen, Guo-Ming; Chen, He-Sheng; Jiang, Chun-Hua; Liang, Dong; Liang, Song; Meng, Xiangwei; Tao, Junquan; Wang, Jian; Wang, Jian; Wang, Xianyou; Wang, Zheng; Xiao, Hong; Xu, Ming; Zang, Jingjing; Zhang, Zhen; Asawatangtrakuldee, Chayanit; Ban, Yong; Guo, Shuang; Guo, Yifei; Li, Wenbo; Liu, Shuai; Mao, Yajun; Qian, Si-Jin; Teng, Haiyun; Wang, Siguang; Zhu, Bo; Zou, Wei; Avila, Carlos; Gomez Moreno, Bernardo; Osorio Oliveros, Andres Felipe; Sanabria, Juan Carlos; Godinovic, Nikola; Lelas, Damir; Plestina, Roko; Polic, Dunja; Puljak, Ivica; Antunovic, Zeljko; Dzelalija, Mile; Kovac, Marko; Brigljevic, Vuko; Duric, Senka; Kadija, Kreso; Luetic, Jelena; Morovic, Srecko; Attikis, Alexandros; Galanti, Mario; Mavromanolakis, Georgios; Mousa, Jehad; Nicolaou, Charalambos; Ptochos, Fotios; Razis, Panos A; Finger, Miroslav; Finger Jr, Michael; Assran, Yasser; Elgammal, Sherif; Ellithi Kamel, Ali; Khalil, Shaaban; Mahmoud, Mohammed; Radi, Amr; Kadastik, Mario; Müntel, Mait; Raidal, Martti; Rebane, Liis; Tiko, Andres; Azzolini, Virginia; Eerola, Paula; Fedi, Giacomo; Voutilainen, Mikko; Härkönen, Jaakko; Heikkinen, Mika Aatos; Karimäki, Veikko; Kinnunen, Ritva; Kortelainen, Matti J; Lampén, Tapio; Lassila-Perini, Kati; Lehti, Sami; Lindén, Tomas; Luukka, Panja-Riina; Mäenpää, Teppo; Peltola, Timo; Tuominen, Eija; Tuominiemi, Jorma; Tuovinen, Esa; Ungaro, Donatella; Wendland, Lauri; Banzuzi, Kukka; Korpela, Arja; Tuuva, Tuure; Besancon, Marc; Choudhury, Somnath; Dejardin, Marc; Denegri, Daniel; Fabbro, Bernard; Faure, Jean-Louis; Ferri, Federico; Ganjour, Serguei; Givernaud, Alain; Gras, Philippe; Hamel de Monchenault, Gautier; Jarry, Patrick; Locci, Elizabeth; Malcles, Julie; Millischer, Laurent; Nayak, Aruna; Rander, John; Rosowsky, André; Shreyber, Irina; Titov, Maksym; Baffioni, Stephanie; Beaudette, Florian; Benhabib, Lamia; Bianchini, Lorenzo; Bluj, Michal; Broutin, Clementine; Busson, Philippe; Charlot, Claude; Daci, Nadir; Dahms, Torsten; Dobrzynski, Ludwik; Granier de Cassagnac, Raphael; Haguenauer, Maurice; Miné, Philippe; Mironov, Camelia; Ochando, Christophe; Paganini, Pascal; Sabes, David; Salerno, Roberto; Sirois, Yves; Veelken, Christian; Zabi, Alexandre; Agram, Jean-Laurent; Andrea, Jeremy; Bloch, Daniel; Bodin, David; Brom, Jean-Marie; Cardaci, Marco; Chabert, Eric Christian; Collard, Caroline; Conte, Eric; Drouhin, Frédéric; Ferro, Cristina; Fontaine, Jean-Charles; Gelé, Denis; Goerlach, Ulrich; Juillot, Pierre; Karim, Mehdi; Le Bihan, Anne-Catherine; Van Hove, Pierre; Fassi, Farida; Mercier, Damien; Beauceron, Stephanie; Beaupere, Nicolas; Bondu, Olivier; Boudoul, Gaelle; Brun, Hugues; Chasserat, Julien; Chierici, Roberto; Contardo, Didier; Depasse, Pierre; El Mamouni, Houmani; Fay, Jean; Gascon, Susan; Gouzevitch, Maxime; Ille, Bernard; Kurca, Tibor; Lethuillier, Morgan; Mirabito, Laurent; Perries, Stephane; Sordini, Viola; Tosi, Silvano; Tschudi, Yohann; Verdier, Patrice; Viret, Sébastien; Tsamalaidze, Zviad; Anagnostou, Georgios; Beranek, Sarah; Edelhoff, Matthias; Feld, Lutz; Heracleous, Natalie; Hindrichs, Otto; Jussen, Ruediger; Klein, Katja; Merz, Jennifer; Ostapchuk, Andrey; Perieanu, Adrian; Raupach, Frank; Sammet, Jan; Schael, Stefan; Sprenger, Daniel; Weber, Hendrik; Wittmer, Bruno; Zhukov, Valery; Ata, Metin; Caudron, Julien; Dietz-Laursonn, Erik; Duchardt, Deborah; Erdmann, Martin; Güth, Andreas; Hebbeker, Thomas; Heidemann, Carsten; Hoepfner, Kerstin; Klimkovich, Tatsiana; Klingebiel, Dennis; Kreuzer, Peter; Lanske, Dankfried; Lingemann, Joschka; Magass, Carsten; Merschmeyer, Markus; Meyer, Arnd; Olschewski, Mark; Papacz, Paul; Pieta, Holger; Reithler, Hans; Schmitz, Stefan Antonius; Sonnenschein, Lars; Steggemann, Jan; Teyssier, Daniel; Weber, Martin; Bontenackels, Michael; Cherepanov, Vladimir; Davids, Martina; Flügge, Günter; Geenen, Heiko; Geisler, Matthias; Haj Ahmad, Wael; Hoehle, Felix; Kargoll, Bastian; Kress, Thomas; Kuessel, Yvonne; Linn, Alexander; Nowack, Andreas; Perchalla, Lars; Pooth, Oliver; Rennefeld, Jörg; Sauerland, Philip; Stahl, Achim; Aldaya Martin, Maria; Behr, Joerg; Behrenhoff, Wolf; Behrens, Ulf; Bergholz, Matthias; Bethani, Agni; Borras, Kerstin; Burgmeier, Armin; Cakir, Altan; Calligaris, Luigi; Campbell, Alan; Castro, Elena; Costanza, Francesco; Dammann, Dirk; Eckerlin, Guenter; Eckstein, Doris; Fischer, David; Flucke, Gero; Geiser, Achim; Glushkov, Ivan; Habib, Shiraz; Hauk, Johannes; Jung, Hannes; Kasemann, Matthias; Katsas, Panagiotis; Kleinwort, Claus; Kluge, Hannelies; Knutsson, Albert; Krämer, Mira; Krücker, Dirk; Kuznetsova, Ekaterina; Lange, Wolfgang; Lohmann, Wolfgang; Lutz, Benjamin; Mankel, Rainer; Marfin, Ihar; Marienfeld, Markus; Melzer-Pellmann, Isabell-Alissandra; Meyer, Andreas Bernhard; Mnich, Joachim; Mussgiller, Andreas; Naumann-Emme, Sebastian; Olzem, Jan; Perrey, Hanno; Petrukhin, Alexey; Pitzl, Daniel; Raspereza, Alexei; Ribeiro Cipriano, Pedro M; Riedl, Caroline; Rosin, Michele; Salfeld-Nebgen, Jakob; Schmidt, Ringo; Schoerner-Sadenius, Thomas; Sen, Niladri; Spiridonov, Alexander; Stein, Matthias; Walsh, Roberval; Wissing, Christoph; Autermann, Christian; Blobel, Volker; Bobrovskyi, Sergei; Draeger, Jula; Enderle, Holger; Erfle, Joachim; Gebbert, Ulla; Görner, Martin; Hermanns, Thomas; Höing, Rebekka Sophie; Kaschube, Kolja; Kaussen, Gordon; Kirschenmann, Henning; Klanner, Robert; Lange, Jörn; Mura, Benedikt; Nowak, Friederike; Pietsch, Niklas; Rathjens, Denis; Sander, Christian; Schettler, Hannes; Schleper, Peter; Schlieckau, Eike; Schmidt, Alexander; Schröder, Matthias; Schum, Torben; Seidel, Markus; Stadie, Hartmut; Steinbrück, Georg; Thomsen, Jan; Barth, Christian; Berger, Joram; Chwalek, Thorsten; De Boer, Wim; Dierlamm, Alexander; Feindt, Michael; Guthoff, Moritz; Hackstein, Christoph; Hartmann, Frank; Heinrich, Michael; Held, Hauke; Hoffmann, Karl-Heinz; Honc, Simon; Husemann, Ulrich; Katkov, Igor; Komaragiri, Jyothsna Rani; Martschei, Daniel; Mueller, Steffen; Müller, Thomas; Niegel, Martin; Nürnberg, Andreas; Oberst, Oliver; Oehler, Andreas; Ott, Jochen; Peiffer, Thomas; Quast, Gunter; Rabbertz, Klaus; Ratnikov, Fedor; Ratnikova, Natalia; Röcker, Steffen; Saout, Christophe; Scheurer, Armin; Schilling, Frank-Peter; Schmanau, Mike; Schott, Gregory; Simonis, Hans-Jürgen; Stober, Fred-Markus Helmut; Troendle, Daniel; Ulrich, Ralf; Wagner-Kuhr, Jeannine; Weiler, Thomas; Zeise, Manuel; Ziebarth, Eva Barbara; Daskalakis, Georgios; Geralis, Theodoros; Kesisoglou, Stilianos; Kyriakis, Aristotelis; Loukas, Demetrios; Manolakos, Ioannis; Markou, Athanasios; Markou, Christos; Mavrommatis, Charalampos; Ntomari, Eleni; Gouskos, Loukas; Mertzimekis, Theodoros; Panagiotou, Apostolos; Saoulidou, Niki; Evangelou, Ioannis; Foudas, Costas; Kokkas, Panagiotis; Manthos, Nikolaos; Papadopoulos, Ioannis; Patras, Vaios; Bencze, Gyorgy; Hajdu, Csaba; Hidas, Pàl; Horvath, Dezso; Krajczar, Krisztian; Radics, Balint; Sikler, Ferenc; Veszpremi, Viktor; Vesztergombi, Gyorgy; Beni, Noemi; Czellar, Sandor; Molnar, Jozsef; Palinkas, Jozsef; Szillasi, Zoltan; Karancsi, János; Raics, Peter; Trocsanyi, Zoltan Laszlo; Ujvari, Balazs; Beri, Suman Bala; Bhatnagar, Vipin; Dhingra, Nitish; Gupta, Ruchi; Jindal, Monika; Kaur, Manjit; Kohli, Jatinder Mohan; Mehta, Manuk Zubin; Nishu, Nishu; Saini, Lovedeep Kaur; Sharma, Archana; Singh, Jasbir; Singh, Supreet Pal; Ahuja, Sudha; Choudhary, Brajesh C; Kumar, Ashok; Kumar, Arun; Malhotra, Shivali; Naimuddin, Md; Ranjan, Kirti; Sharma, Varun; Shivpuri, Ram Krishen; Banerjee, Sunanda; Bhattacharya, Satyaki; Dutta, Suchandra; Gomber, Bhawna; Jain, Sandhya; Jain, Shilpi; Khurana, Raman; Sarkar, Subir; Abdulsalam, Abdulla; Choudhury, Rajani Kant; Dutta, Dipanwita; Kailas, Swaminathan; Kumar, Vineet; Mohanty, Ajit Kumar; Pant, Lalit Mohan; Shukla, Prashant; Aziz, Tariq; Ganguly, Sanmay; Guchait, Monoranjan; Gurtu, Atul; Maity, Manas; Majumder, Gobinda; Mazumdar, Kajari; Mohanty, Gagan Bihari; Parida, Bibhuti; Sudhakar, Katta; Wickramage, Nadeesha; Banerjee, Sudeshna; Dugad, Shashikant; Arfaei, Hessamaddin; Bakhshiansohi, Hamed; Etesami, Seyed Mohsen; Fahim, Ali; Hashemi, Majid; Hesari, Hoda; Jafari, Abideh; Khakzad, Mohsen; Mohammadi, Abdollah; Mohammadi Najafabadi, Mojtaba; Paktinat Mehdiabadi, Saeid; Safarzadeh, Batool; Zeinali, Maryam; Abbrescia, Marcello; Barbone, Lucia; Calabria, Cesare; Chhibra, Simranjit Singh; Colaleo, Anna; Creanza, Donato; De Filippis, Nicola; De Palma, Mauro; Fiore, Luigi; Iaselli, Giuseppe; Lusito, Letizia; Maggi, Giorgio; Maggi, Marcello; Marangelli, Bartolomeo; My, Salvatore; Nuzzo, Salvatore; Pacifico, Nicola; Pompili, Alexis; Pugliese, Gabriella; Selvaggi, Giovanna; Silvestris, Lucia; Singh, Gurpreet; Zito, Giuseppe; Abbiendi, Giovanni; Benvenuti, Alberto; Bonacorsi, Daniele; Braibant-Giacomelli, Sylvie; Brigliadori, Luca; Capiluppi, Paolo; Castro, Andrea; Cavallo, Francesca Romana; Cuffiani, Marco; Dallavalle, Gaetano-Marco; Fabbri, Fabrizio; Fanfani, Alessandra; Fasanella, Daniele; Giacomelli, Paolo; Grandi, Claudio; Guiducci, Luigi; Marcellini, Stefano; Masetti, Gianni; Meneghelli, Marco; Montanari, Alessandro; Navarria, Francesco; Odorici, Fabrizio; Perrotta, Andrea; Primavera, Federica; Rossi, Antonio; Rovelli, Tiziano; Siroli, Gianni; Travaglini, Riccardo; Albergo, Sebastiano; Cappello, Gigi; Chiorboli, Massimiliano; Costa, Salvatore; Potenza, Renato; Tricomi, Alessia; Tuve, Cristina; Barbagli, Giuseppe; Ciulli, Vitaliano; Civinini, Carlo; D'Alessandro, Raffaello; Focardi, Ettore; Frosali, Simone; Gallo, Elisabetta; Gonzi, Sandro; Meschini, Marco; Paoletti, Simone; Sguazzoni, Giacomo; Tropiano, Antonio; Benussi, Luigi; Bianco, Stefano; Colafranceschi, Stefano; Fabbri, Franco; Piccolo, Davide; Fabbricatore, Pasquale; Musenich, Riccardo; Benaglia, Andrea; De Guio, Federico; Di Matteo, Leonardo; Fiorendi, Sara; Gennai, Simone; Ghezzi, Alessio; Malvezzi, Sandra; Manzoni, Riccardo Andrea; Martelli, Arabella; Massironi, Andrea; Menasce, Dario; Moroni, Luigi; Paganoni, Marco; Pedrini, Daniele; Ragazzi, Stefano; Redaelli, Nicola; Sala, Silvano; Tabarelli de Fatis, Tommaso; Buontempo, Salvatore; Carrillo Montoya, Camilo Andres; Cavallo, Nicola; De Cosa, Annapaola; Dogangun, Oktay; Fabozzi, Francesco; Iorio, Alberto Orso Maria; Lista, Luca; Meola, Sabino; Merola, Mario; Paolucci, Pierluigi; Azzi, Patrizia; Bacchetta, Nicola; Bellan, Paolo; Biasotto, Massimo; Bisello, Dario; Branca, Antonio; Checchia, Paolo; Dorigo, Tommaso; Dosselli, Umberto; Gasparini, Fabrizio; Gozzelino, Andrea; Gulmini, Michele; Kanishchev, Konstantin; Lacaprara, Stefano; Lazzizzera, Ignazio; Margoni, Martino; Maron, Gaetano; Meneguzzo, Anna Teresa; Perrozzi, Luca; Pozzobon, Nicola; Ronchese, Paolo; Simonetto, Franco; Torassa, Ezio; Tosi, Mia; Vanini, Sara; Gabusi, Michele; Ratti, Sergio P; Riccardi, Cristina; Torre, Paola; Vitulo, Paolo; Bilei, Gian Mario; Fanò, Livio; Lariccia, Paolo; Lucaroni, Andrea; Mantovani, Giancarlo; Menichelli, Mauro; Nappi, Aniello; Romeo, Francesco; Saha, Anirban; Santocchia, Attilio; Taroni, Silvia; Azzurri, Paolo; Bagliesi, Giuseppe; Boccali, Tommaso; Broccolo, Giuseppe; Castaldi, Rino; D'Agnolo, Raffaele Tito; Dell'Orso, Roberto; Fiori, Francesco; Foà, Lorenzo; Giassi, Alessandro; Kraan, Aafke; Ligabue, Franco; Lomtadze, Teimuraz; Martini, Luca; Messineo, Alberto; Palla, Fabrizio; Palmonari, Francesco; Rizzi, Andrea; Serban, Alin Titus; Spagnolo, Paolo; Squillacioti, Paola; Tenchini, Roberto; Tonelli, Guido; Venturi, Andrea; Verdini, Piero Giorgio; Barone, Luciano; Cavallari, Francesca; Del Re, Daniele; Diemoz, Marcella; Fanelli, Cristiano; Grassi, Marco; Longo, Egidio; Meridiani, Paolo; Micheli, Francesco; Nourbakhsh, Shervin; Organtini, Giovanni; Pandolfi, Francesco; Paramatti, Riccardo; Rahatlou, Shahram; Sigamani, Michael; Soffi, Livia; Amapane, Nicola; Arcidiacono, Roberta; Argiro, Stefano; Arneodo, Michele; Biino, Cristina; Botta, Cristina; Cartiglia, Nicolo; Castello, Roberto; Costa, Marco; Demaria, Natale; Graziano, Alberto; Mariotti, Chiara; Maselli, Silvia; Migliore, Ernesto; Monaco, Vincenzo; Musich, Marco; Obertino, Maria Margherita; Pastrone, Nadia; Pelliccioni, Mario; Potenza, Alberto; Romero, Alessandra; Ruspa, Marta; Sacchi, Roberto; Sola, Valentina; Solano, Ada; Staiano, Amedeo; Vilela Pereira, Antonio; Belforte, Stefano; Cossutti, Fabio; Della Ricca, Giuseppe; Gobbo, Benigno; Marone, Matteo; Montanino, Damiana; Penzo, Aldo; Schizzi, Andrea; Heo, Seong Gu; Kim, Tae Yeon; Nam, Soon-Kwon; Chang, Sunghyun; Chung, Jin Hyuk; Kim, Dong Hee; Kim, Gui Nyun; Kong, Dae Jung; Park, Hyangkyu; Ro, Sang-Ryul; Son, Dong-Chul; Son, Taejin; Kim, Jae Yool; Kim, Zero Jaeho; Song, Sanghyeon; Jo, Hyun Yong; Choi, Suyong; Gyun, Dooyeon; Hong, Byung-Sik; Jo, Mihee; Kim, Hyunchul; Kim, Tae Jeong; Lee, Kyong Sei; Moon, Dong Ho; Park, Sung Keun; Seo, Eunsung; Choi, Minkyoo; Kang, Seokon; Kim, Hyunyong; Kim, Ji Hyun; Park, Chawon; Park, Inkyu; Park, Sangnam; Ryu, Geonmo; Cho, Yongjin; Choi, Young-Il; Choi, Young Kyu; Goh, Junghwan; Kim, Min Suk; Kwon, Eunhyang; Lee, Byounghoon; Lee, Jongseok; Lee, Sungeun; Seo, Hyunkwan; Yu, Intae; Bilinskas, Mykolas Jurgis; Grigelionis, Ignas; Janulis, Mindaugas; Juodagalvis, Andrius; Castilla-Valdez, Heriberto; De La Cruz-Burelo, Eduard; Heredia-de La Cruz, Ivan; Lopez-Fernandez, Ricardo; Magaña Villalba, Ricardo; Martínez-Ortega, Jorge; Sánchez-Hernández, Alberto; Villasenor-Cendejas, Luis Manuel; Carrillo Moreno, Salvador; Vazquez Valencia, Fabiola; Salazar Ibarguen, Humberto Antonio; Casimiro Linares, Edgar; Morelos Pineda, Antonio; Reyes-Santos, Marco A; Krofcheck, David; Bell, Alan James; Butler, Philip H; Doesburg, Robert; Reucroft, Steve; Silverwood, Hamish; Ahmad, Muhammad; Asghar, Muhammad Irfan; Hoorani, Hafeez R; Khalid, Shoaib; Khan, Wajid Ali; Khurshid, Taimoor; Qazi, Shamona; Shah, Mehar Ali; Shoaib, Muhammad; Brona, Grzegorz; Bunkowski, Karol; Cwiok, Mikolaj; Dominik, Wojciech; Doroba, Krzysztof; Kalinowski, Artur; Konecki, Marcin; Krolikowski, Jan; Bialkowska, Helena; Boimska, Bozena; Frueboes, Tomasz; Gokieli, Ryszard; Górski, Maciej; Kazana, Malgorzata; Nawrocki, Krzysztof; Romanowska-Rybinska, Katarzyna; Szleper, Michal; Wrochna, Grzegorz; Zalewski, Piotr; Almeida, Nuno; Bargassa, Pedrame; David Tinoco Mendes, Andre; Faccioli, Pietro; Ferreira Parracho, Pedro Guilherme; Gallinaro, Michele; Musella, Pasquale; Seixas, Joao; Varela, Joao; Vischia, Pietro; Afanasiev, Serguei; Belotelov, Ivan; Bunin, Pavel; Gavrilenko, Mikhail; Golutvin, Igor; Kamenev, Alexey; Karjavin, Vladimir; Kozlov, Guennady; Lanev, Alexander; Malakhov, Alexander; Moisenz, Petr; Palichik, Vladimir; Perelygin, Victor; Shmatov, Sergey; Smirnov, Vitaly; Volodko, Anton; Zarubin, Anatoli; Evstyukhin, Sergey; Golovtsov, Victor; Ivanov, Yury; Kim, Victor; Levchenko, Petr; Murzin, Victor; Oreshkin, Vadim; Smirnov, Igor; Sulimov, Valentin; Uvarov, Lev; Vavilov, Sergey; Vorobyev, Alexey; Vorobyev, Andrey; Andreev, Yuri; Dermenev, Alexander; Gninenko, Sergei; Golubev, Nikolai; Kirsanov, Mikhail; Krasnikov, Nikolai; Matveev, Viktor; Pashenkov, Anatoli; Tlisov, Danila; Toropin, Alexander; Epshteyn, Vladimir; Erofeeva, Maria; Gavrilov, Vladimir; Kossov, Mikhail; Lychkovskaya, Natalia; Popov, Vladimir; Safronov, Grigory; Semenov, Sergey; Stolin, Viatcheslav; Vlasov, Evgueni; Zhokin, Alexander; Belyaev, Andrey; Boos, Edouard; Ershov, Alexander; Gribushin, Andrey; Klyukhin, Vyacheslav; Kodolova, Olga; Korotkikh, Vladimir; Lokhtin, Igor; Markina, Anastasia; Obraztsov, Stepan; Perfilov, Maxim; Petrushanko, Sergey; Sarycheva, Ludmila; Savrin, Viktor; Snigirev, Alexander; Vardanyan, Irina; Andreev, Vladimir; Azarkin, Maksim; Dremin, Igor; Kirakosyan, Martin; Leonidov, Andrey; Mesyats, Gennady; Rusakov, Sergey V; Vinogradov, Alexey; Azhgirey, Igor; Bayshev, Igor; Bitioukov, Sergei; Grishin, Viatcheslav; Kachanov, Vassili; Konstantinov, Dmitri; Korablev, Andrey; Krychkine, Victor; Petrov, Vladimir; Ryutin, Roman; Sobol, Andrei; Tourtchanovitch, Leonid; Troshin, Sergey; Tyurin, Nikolay; Uzunian, Andrey; Volkov, Alexey; Adzic, Petar; Djordjevic, Milos; Ekmedzic, Marko; Krpic, Dragomir; Milosevic, Jovan; Aguilar-Benitez, Manuel; Alcaraz Maestre, Juan; Arce, Pedro; Battilana, Carlo; Calvo, Enrique; Cerrada, Marcos; Chamizo Llatas, Maria; Colino, Nicanor; De La Cruz, Begona; Delgado Peris, Antonio; Diez Pardos, Carmen; Domínguez Vázquez, Daniel; Fernandez Bedoya, Cristina; Fernández Ramos, Juan Pablo; Ferrando, Antonio; Flix, Jose; Fouz, Maria Cruz; Garcia-Abia, Pablo; Gonzalez Lopez, Oscar; Goy Lopez, Silvia; Hernandez, Jose M; Josa, Maria Isabel; Merino, Gonzalo; Puerta Pelayo, Jesus; Redondo, Ignacio; Romero, Luciano; Santaolalla, Javier; Soares, Mara Senghi; Willmott, Carlos; Albajar, Carmen; Codispoti, Giuseppe; de Trocóniz, Jorge F; Cuevas, Javier; Fernandez Menendez, Javier; Folgueras, Santiago; Gonzalez Caballero, Isidro; Lloret Iglesias, Lara; Piedra Gomez, Jonatan; Vizan Garcia, Jesus Manuel; Brochero Cifuentes, Javier Andres; Cabrillo, Iban Jose; Calderon, Alicia; Chuang, Shan-Huei; Duarte Campderros, Jordi; Felcini, Marta; Fernandez, Marcos; Gomez, Gervasio; Gonzalez Sanchez, Javier; Jorda, Clara; Lobelle Pardo, Patricia; Lopez Virto, Amparo; Marco, Jesus; Marco, Rafael; Martinez Rivero, Celso; Matorras, Francisco; Munoz Sanchez, Francisca Javiela; Rodrigo, Teresa; Rodríguez-Marrero, Ana Yaiza; Ruiz-Jimeno, Alberto; Scodellaro, Luca; Sobron Sanudo, Mar; Vila, Ivan; Vilar Cortabitarte, Rocio; Abbaneo, Duccio; Auffray, Etiennette; Auzinger, Georg; Baillon, Paul; Ball, Austin; Barney, David; Bernet, Colin; Bianchi, Giovanni; Bloch, Philippe; Bocci, Andrea; Bonato, Alessio; Breuker, Horst; Camporesi, Tiziano; Cerminara, Gianluca; Christiansen, Tim; Coarasa Perez, Jose Antonio; D'Enterria, David; De Roeck, Albert; Di Guida, Salvatore; Dobson, Marc; Dupont-Sagorin, Niels; Elliott-Peisert, Anna; Frisch, Benjamin; Funk, Wolfgang; Georgiou, Georgios; Giffels, Manuel; Gigi, Dominique; Gill, Karl; Giordano, Domenico; Giunta, Marina; Glege, Frank; Gomez-Reino Garrido, Robert; Govoni, Pietro; Gowdy, Stephen; Guida, Roberto; Hansen, Magnus; Harris, Philip; Hartl, Christian; Harvey, John; Hegner, Benedikt; Hinzmann, Andreas; Innocente, Vincenzo; Janot, Patrick; Kaadze, Ketino; Karavakis, Edward; Kousouris, Konstantinos; Lecoq, Paul; Lenzi, Piergiulio; Lourenco, Carlos; Maki, Tuula; Malberti, Martina; Malgeri, Luca; Mannelli, Marcello; Masetti, Lorenzo; Meijers, Frans; Mersi, Stefano; Meschi, Emilio; Moser, Roland; Mozer, Matthias Ulrich; Mulders, Martijn; Nesvold, Erik; Nguyen, Matthew; Orimoto, Toyoko; Orsini, Luciano; Palencia Cortezon, Enrique; Perez, Emmanuelle; Petrilli, Achille; Pfeiffer, Andreas; Pierini, Maurizio; Pimiä, Martti; Piparo, Danilo; Polese, Giovanni; Quertenmont, Loic; Racz, Attila; Reece, William; Rodrigues Antunes, Joao; Rolandi, Gigi; Rommerskirchen, Tanja; Rovelli, Chiara; Rovere, Marco; Sakulin, Hannes; Santanastasio, Francesco; Schäfer, Christoph; Schwick, Christoph; Segoni, Ilaria; Sekmen, Sezen; Sharma, Archana; Siegrist, Patrice; Silva, Pedro; Simon, Michal; Sphicas, Paraskevas; Spiga, Daniele; Spiropulu, Maria; Stoye, Markus; Tsirou, Andromachi; Veres, Gabor Istvan; Vlimant, Jean-Roch; Wöhri, Hermine Katharina; Worm, Steven; Zeuner, Wolfram Dietrich; Bertl, Willi; Deiters, Konrad; Erdmann, Wolfram; Gabathuler, Kurt; Horisberger, Roland; Ingram, Quentin; Kaestli, Hans-Christian; König, Stefan; Kotlinski, Danek; Langenegger, Urs; Meier, Frank; Renker, Dieter; Rohe, Tilman; Sibille, Jennifer; Bäni, Lukas; Bortignon, Pierluigi; Buchmann, Marco-Andrea; Casal, Bruno; Chanon, Nicolas; Chen, Zhiling; Deisher, Amanda; Dissertori, Günther; Dittmar, Michael; Dünser, Marc; Eugster, Jürg; Freudenreich, Klaus; Grab, Christoph; Lecomte, Pierre; Lustermann, Werner; Marini, Andrea Carlo; Martinez Ruiz del Arbol, Pablo; Mohr, Niklas; Moortgat, Filip; Nägeli, Christoph; Nef, Pascal; Nessi-Tedaldi, Francesca; Pape, Luc; Pauss, Felicitas; Peruzzi, Marco; Ronga, Frederic Jean; Rossini, Marco; Sala, Leonardo; Sanchez, Ann - Karin; Starodumov, Andrei; Stieger, Benjamin; Takahashi, Maiko; Tauscher, Ludwig; Thea, Alessandro; Theofilatos, Konstantinos; Treille, Daniel; Urscheler, Christina; Wallny, Rainer; Weber, Hannsjoerg Artur; Wehrli, Lukas; Aguilo, Ernest; Amsler, Claude; Chiochia, Vincenzo; De Visscher, Simon; Favaro, Carlotta; Ivova Rikova, Mirena; Millan Mejias, Barbara; Otiougova, Polina; Robmann, Peter; Snoek, Hella; Tupputi, Salvatore; Verzetti, Mauro; Chang, Yuan-Hann; Chen, Kuan-Hsin; Go, Apollo; Kuo, Chia-Ming; Li, Syue-Wei; Lin, Willis; Liu, Zong-Kai; Lu, Yun-Ju; Mekterovic, Darko; Singh, Anil; Volpe, Roberta; Yu, Shin-Shan; Bartalini, Paolo; Chang, Paoti; Chang, You-Hao; Chang, Yu-Wei; Chao, Yuan; Chen, Kai-Feng; Dietz, Charles; Grundler, Ulysses; Hou, George Wei-Shu; Hsiung, Yee; Kao, Kai-Yi; Lei, Yeong-Jyi; Lu, Rong-Shyang; Majumder, Devdatta; Petrakou, Eleni; Shi, Xin; Shiu, Jing-Ge; Tzeng, Yeng-Ming; Wang, Minzu; Adiguzel, Aytul; Bakirci, Mustafa Numan; Cerci, Salim; Dozen, Candan; Dumanoglu, Isa; Eskut, Eda; Girgis, Semiray; Gokbulut, Gul; Hos, Ilknur; Kangal, Evrim Ersin; Karapinar, Guler; Kayis Topaksu, Aysel; Onengut, Gulsen; Ozdemir, Kadri; Ozturk, Sertac; Polatoz, Ayse; Sogut, Kenan; Sunar Cerci, Deniz; Tali, Bayram; Topakli, Huseyin; Vergili, Latife Nukhet; Vergili, Mehmet; Akin, Ilina Vasileva; Aliev, Takhmasib; Bilin, Bugra; Bilmis, Selcuk; Deniz, Muhammed; Gamsizkan, Halil; Guler, Ali Murat; Ocalan, Kadir; Ozpineci, Altug; Serin, Meltem; Sever, Ramazan; Surat, Ugur Emrah; Yalvac, Metin; Yildirim, Eda; Zeyrek, Mehmet; Deliomeroglu, Mehmet; Gülmez, Erhan; Isildak, Bora; Kaya, Mithat; Kaya, Ozlem; Ozkorucuklu, Suat; Sonmez, Nasuf; Cankocak, Kerem; Levchuk, Leonid; Bostock, Francis; Brooke, James John; Clement, Emyr; Cussans, David; Flacher, Henning; Frazier, Robert; Goldstein, Joel; Grimes, Mark; Heath, Greg P; Heath, Helen F; Kreczko, Lukasz; Metson, Simon; Newbold, Dave M; Nirunpong, Kachanon; Poll, Anthony; Senkin, Sergey; Smith, Vincent J; Williams, Thomas; Basso, Lorenzo; Belyaev, Alexander; Brew, Christopher; Brown, Robert M; Cockerill, David JA; Coughlan, John A; 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Vogel, Helmut; Vorobiev, Igor; Cumalat, John Perry; Drell, Brian Robert; Edelmaier, Christopher; Ford, William T; Gaz, Alessandro; Heyburn, Bernadette; Luiggi Lopez, Eduardo; Smith, James; Stenson, Kevin; Ulmer, Keith; Wagner, Stephen Robert; Agostino, Lorenzo; Alexander, James; Chatterjee, Avishek; Eggert, Nicholas; Gibbons, Lawrence Kent; Heltsley, Brian; Hopkins, Walter; Khukhunaishvili, Aleko; Kreis, Benjamin; Mirman, Nathan; Nicolas Kaufman, Gala; Patterson, Juliet Ritchie; Ryd, Anders; Salvati, Emmanuele; Sun, Werner; Teo, Wee Don; Thom, Julia; Thompson, Joshua; Vaughan, Jennifer; Weng, Yao; Winstrom, Lucas; Wittich, Peter; Winn, Dave; Abdullin, Salavat; Albrow, Michael; Anderson, Jacob; Bauerdick, Lothar AT; Beretvas, Andrew; Berryhill, Jeffrey; Bhat, Pushpalatha C; Bloch, Ingo; Burkett, Kevin; Butler, Joel Nathan; Chetluru, Vasundhara; Cheung, Harry; Chlebana, Frank; Elvira, Victor Daniel; Fisk, Ian; Freeman, Jim; Gao, Yanyan; Green, Dan; Gutsche, Oliver; Hahn, Alan; Hanlon, Jim; Harris, Robert M; Hirschauer, James; Hooberman, Benjamin; Jindariani, Sergo; Johnson, Marvin; Joshi, Umesh; Kilminster, Benjamin; Klima, Boaz; Kunori, Shuichi; Kwan, Simon; Lincoln, Don; Lipton, Ron; Lueking, Lee; Lykken, Joseph; Maeshima, Kaori; Marraffino, John Michael; Maruyama, Sho; Mason, David; McBride, Patricia; Mishra, Kalanand; Mrenna, Stephen; Musienko, Yuri; Newman-Holmes, Catherine; O'Dell, Vivian; Prokofyev, Oleg; Sexton-Kennedy, Elizabeth; Sharma, Seema; Spalding, William J; Spiegel, Leonard; Tan, Ping; Taylor, Lucas; Tkaczyk, Slawek; Tran, Nhan Viet; Uplegger, Lorenzo; Vaandering, Eric Wayne; Vidal, Richard; Whitmore, Juliana; Wu, Weimin; Yang, Fan; Yumiceva, Francisco; Yun, Jae Chul; Acosta, Darin; Avery, Paul; Bourilkov, Dimitri; Chen, Mingshui; Das, Souvik; De Gruttola, Michele; Di Giovanni, Gian Piero; Dobur, Didar; Drozdetskiy, Alexey; Field, Richard D; Fisher, Matthew; Fu, Yu; Furic, Ivan-Kresimir; Gartner, Joseph; Hugon, Justin; Kim, Bockjoo; Konigsberg, Jacobo; Korytov, Andrey; Kropivnitskaya, Anna; Kypreos, Theodore; Low, Jia Fu; Matchev, Konstantin; Milenovic, Predrag; Mitselmakher, Guenakh; Muniz, Lana; Remington, Ronald; Rinkevicius, Aurelijus; Sellers, Paul; Skhirtladze, Nikoloz; Snowball, Matthew; Yelton, John; Zakaria, Mohammed; Gaultney, Vanessa; Lebolo, Luis Miguel; Linn, Stephan; Markowitz, Pete; Martinez, German; Rodriguez, Jorge Luis; Adams, Todd; Askew, Andrew; Bochenek, Joseph; Chen, Jie; Diamond, Brendan; Gleyzer, Sergei V; Haas, Jeff; Hagopian, Sharon; Hagopian, Vasken; Jenkins, Merrill; Johnson, Kurtis F; Prosper, Harrison; Veeraraghavan, Venkatesh; Weinberg, Marc; Baarmand, Marc M; Dorney, Brian; Hohlmann, Marcus; Kalakhety, Himali; Vodopiyanov, Igor; Adams, Mark Raymond; Anghel, Ioana Maria; Apanasevich, Leonard; Bai, Yuting; Bazterra, Victor Eduardo; Betts, Russell Richard; Callner, Jeremy; Cavanaugh, Richard; Dragoiu, Cosmin; Evdokimov, Olga; Garcia-Solis, Edmundo Javier; Gauthier, Lucie; Gerber, Cecilia Elena; Hofman, David Jonathan; Khalatyan, Samvel; Lacroix, Florent; Malek, Magdalena; O'Brien, Christine; Silkworth, Christopher; Strom, Derek; Varelas, Nikos; Akgun, Ugur; Albayrak, Elif Asli; Bilki, Burak; Chung, Kwangzoo; Clarida, Warren; Duru, Firdevs; Griffiths, Scott; Lae, Chung Khim; Merlo, Jean-Pierre; Mermerkaya, Hamit; Mestvirishvili, Alexi; Moeller, Anthony; Nachtman, Jane; Newsom, Charles Ray; Norbeck, Edwin; Olson, Jonathan; Onel, Yasar; Ozok, Ferhat; Sen, Sercan; Tiras, Emrah; Wetzel, James; Yetkin, Taylan; Yi, Kai; Barnett, Bruce Arnold; Blumenfeld, Barry; Bolognesi, Sara; Fehling, David; Giurgiu, Gavril; Gritsan, Andrei; Guo, Zijin; Hu, Guofan; Maksimovic, Petar; Rappoccio, Salvatore; Swartz, Morris; Whitbeck, Andrew; Baringer, Philip; Bean, Alice; Benelli, Gabriele; Grachov, Oleg; Kenny Iii, Raymond Patrick; Murray, Michael; Noonan, Daniel; Radicci, Valeria; Sanders, Stephen; Stringer, Robert; Tinti, Gemma; Wood, Jeffrey Scott; Zhukova, Victoria; Barfuss, Anne-Fleur; Bolton, Tim; Chakaberia, Irakli; Ivanov, Andrew; Khalil, Sadia; Makouski, Mikhail; Maravin, Yurii; Shrestha, Shruti; Svintradze, Irakli; Gronberg, Jeffrey; Lange, David; Wright, Douglas; Baden, Drew; Boutemeur, Madjid; Calvert, Brian; Eno, Sarah Catherine; Gomez, Jaime; Hadley, Nicholas John; Kellogg, Richard G; Kirn, Malina; Kolberg, Ted; Lu, Ying; Marionneau, Matthieu; Mignerey, Alice; Peterman, Alison; Rossato, Kenneth; Skuja, Andris; Temple, Jeffrey; Tonjes, Marguerite; Tonwar, Suresh C; Twedt, Elizabeth; Bauer, Gerry; Bendavid, Joshua; Busza, Wit; Butz, Erik; Cali, Ivan Amos; Chan, Matthew; Dutta, Valentina; Gomez Ceballos, Guillelmo; Goncharov, Maxim; Hahn, Kristan Allan; Kim, Yongsun; Klute, Markus; Lee, Yen-Jie; Li, Wei; Luckey, Paul David; Ma, Teng; Nahn, Steve; Paus, Christoph; Ralph, Duncan; Roland, Christof; Roland, Gunther; Rudolph, Matthew; Stephans, George; Stöckli, Fabian; Sumorok, Konstanty; Sung, Kevin; Velicanu, Dragos; Wenger, Edward Allen; Wolf, Roger; Wyslouch, Bolek; Xie, Si; Yang, Mingming; Yilmaz, Yetkin; Yoon, Sungho; Zanetti, Marco; Cooper, Seth; Cushman, Priscilla; Dahmes, Bryan; De Benedetti, Abraham; Franzoni, Giovanni; Gude, Alexander; Haupt, Jason; Kao, Shih-Chuan; Klapoetke, Kevin; Kubota, Yuichi; Mans, Jeremy; Pastika, Nathaniel; Rusack, Roger; Sasseville, Michael; Singovsky, Alexander; Tambe, Norbert; Turkewitz, Jared; Cremaldi, Lucien Marcus; Kroeger, Rob; Perera, Lalith; Rahmat, Rahmat; Sanders, David A; Avdeeva, Ekaterina; Bloom, Kenneth; Bose, Suvadeep; Butt, Jamila; Claes, Daniel R; Dominguez, Aaron; Eads, Michael; Jindal, Pratima; Keller, Jason; Kravchenko, Ilya; Lazo-Flores, Jose; Malbouisson, Helena; Malik, Sudhir; Snow, Gregory R; Baur, Ulrich; Godshalk, Andrew; Iashvili, Ia; Jain, Supriya; Kharchilava, Avto; Kumar, Ashish; Shipkowski, Simon Peter; Smith, Kenneth; Alverson, George; Barberis, Emanuela; Baumgartel, Darin; Chasco, Matthew; Haley, Joseph; Trocino, Daniele; Wood, Darien; Zhang, Jinzhong; Anastassov, Anton; Kubik, Andrew; Mucia, Nicholas; Odell, Nathaniel; Ofierzynski, Radoslaw Adrian; Pollack, Brian; Pozdnyakov, Andrey; Schmitt, Michael; Stoynev, Stoyan; Velasco, Mayda; Won, Steven; Antonelli, Louis; Berry, Douglas; Brinkerhoff, Andrew; Hildreth, Michael; Jessop, Colin; Karmgard, Daniel John; Kolb, Jeff; Lannon, Kevin; Luo, Wuming; Lynch, Sean; Marinelli, Nancy; Morse, David Michael; Pearson, Tessa; Ruchti, Randy; Slaunwhite, Jason; Valls, Nil; Warchol, Jadwiga; Wayne, Mitchell; Wolf, Matthias; Ziegler, Jill; Bylsma, Ben; Durkin, Lloyd Stanley; Hill, Christopher; Hughes, Richard; Killewald, Phillip; Kotov, Khristian; Ling, Ta-Yung; Puigh, Darren; Rodenburg, Marissa; Vuosalo, Carl; Williams, Grayson; Winer, Brian L; Adam, Nadia; Berry, Edmund; Elmer, Peter; Gerbaudo, Davide; Halyo, Valerie; Hebda, Philip; Hegeman, Jeroen; Hunt, Adam; Laird, Edward; Lopes Pegna, David; Lujan, Paul; Marlow, Daniel; Medvedeva, Tatiana; Mooney, Michael; Olsen, James; Piroué, Pierre; Quan, Xiaohang; Raval, Amita; Saka, Halil; Stickland, David; Tully, Christopher; Werner, Jeremy Scott; Zuranski, Andrzej; Acosta, Jhon Gabriel; Huang, Xing Tao; Lopez, Angel; Mendez, Hector; Oliveros, Sandra; Ramirez Vargas, Juan Eduardo; Zatserklyaniy, Andriy; Alagoz, Enver; Barnes, Virgil E; Benedetti, Daniele; Bolla, Gino; Bortoletto, Daniela; De Mattia, Marco; Everett, Adam; Hu, Zhen; Jones, Matthew; Koybasi, Ozhan; Kress, Matthew; Laasanen, Alvin T; Leonardo, Nuno; Maroussov, Vassili; Merkel, Petra; Miller, David Harry; Neumeister, Norbert; Shipsey, Ian; Silvers, David; Svyatkovskiy, Alexey; Vidal Marono, Miguel; Yoo, Hwi Dong; Zablocki, Jakub; Zheng, Yu; Guragain, Samir; Parashar, Neeti; Adair, Antony; Boulahouache, Chaouki; Cuplov, Vesna; Ecklund, Karl Matthew; Geurts, Frank JM; Padley, Brian Paul; Redjimi, Radia; Roberts, Jay; Zabel, James; Betchart, Burton; Bodek, Arie; Chung, Yeon Sei; Covarelli, Roberto; de Barbaro, Pawel; Demina, Regina; Eshaq, Yossof; Garcia-Bellido, Aran; Goldenzweig, Pablo; Gotra, Yury; Han, Jiyeon; Harel, Amnon; Korjenevski, Sergey; Miner, Daniel Carl; Vishnevskiy, Dmitry; Zielinski, Marek; Bhatti, Anwar; Ciesielski, Robert; Demortier, Luc; Goulianos, Konstantin; Lungu, Gheorghe; Malik, Sarah; Mesropian, Christina; Arora, Sanjay; Barker, Anthony; Chou, John Paul; Contreras-Campana, Christian; Contreras-Campana, Emmanuel; Duggan, Daniel; Ferencek, Dinko; Gershtein, Yuri; Gray, Richard; Halkiadakis, Eva; Hidas, Dean; Hits, Dmitry; Lath, Amitabh; Panwalkar, Shruti; Park, Michael; Patel, Rishi; Rekovic, Vladimir; Richards, Alan; Robles, Jorge; Rose, Keith; Salur, Sevil; Schnetzer, Steve; Seitz, Claudia; Somalwar, Sunil; Stone, Robert; Thomas, Scott; Cerizza, Giordano; Hollingsworth, Matthew; Spanier, Stefan; Yang, Zong-Chang; York, Andrew; Eusebi, Ricardo; Flanagan, Will; Gilmore, Jason; Kamon, Teruki; Khotilovich, Vadim; Montalvo, Roy; Osipenkov, Ilya; Pakhotin, Yuriy; Perloff, Alexx; Roe, Jeffrey; Safonov, Alexei; Sakuma, Tai; Sengupta, Sinjini; Suarez, Indara; Tatarinov, Aysen; Toback, David; Akchurin, Nural; Damgov, Jordan; Dudero, Phillip Russell; Jeong, Chiyoung; Kovitanggoon, Kittikul; Lee, Sung Won; Libeiro, Terence; Roh, Youn; Volobouev, Igor; Appelt, Eric; Engh, Daniel; Florez, Carlos; Greene, Senta; Gurrola, Alfredo; Johns, Willard; Kurt, Pelin; Maguire, Charles; Melo, Andrew; Sheldon, Paul; Snook, Benjamin; Tuo, Shengquan; Velkovska, Julia; Arenton, Michael Wayne; Balazs, Michael; Boutle, Sarah; Cox, Bradley; Francis, Brian; Goodell, Joseph; Hirosky, Robert; Ledovskoy, Alexander; Lin, Chuanzhe; Neu, Christopher; Wood, John; Yohay, Rachel; Gollapinni, Sowjanya; Harr, Robert; Karchin, Paul Edmund; Kottachchi Kankanamge Don, Chamath; Lamichhane, Pramod; Sakharov, Alexandre; Anderson, Michael; Bachtis, Michail; Belknap, Donald; Borrello, Laura; Carlsmith, Duncan; Cepeda, Maria; Dasu, Sridhara; Gray, Lindsey; Grogg, Kira Suzanne; Grothe, Monika; Hall-Wilton, Richard; Herndon, Matthew; Hervé, Alain; Klabbers, Pamela; Klukas, Jeffrey; Lanaro, Armando; Lazaridis, Christos; Leonard, Jessica; Loveless, Richard; Mohapatra, Ajit; Ojalvo, Isabel; Pierro, Giuseppe Antonio; Ross, Ian; Savin, Alexander; Smith, Wesley H; Swanson, Joshua

    2013-01-01

    The anisotropy of the azimuthal distributions of charged particles produced in PbPb collisions with a nucleon-nucleon center-of-mass energy of 2.76 TeV is studied with the CMS experiment at the LHC. The elliptic anisotropy parameter defined as the second coefficient in a Fourier expansion of the particle invariant yields, is extracted using the event-plane method, two- and four-particle cumulants, and Lee--Yang zeros. The anisotropy is presented as a function of transverse momentum (pt), pseudorapidity (eta) over a broad kinematic range: 0.3 < pt < 20 GeV, abs(eta) < 2.4, and in 12 classes of collision centrality from 0 to 80%. The results are compared to those obtained at lower center-of-mass energies, and various scaling behaviors are examined. When scaled by the geometric eccentricity of the collision zone, the elliptic anisotropy is found to obey a universal scaling with the transverse particle density for different collision systems and center-of-mass energies.

  8. Dissociation dynamics of highly excited molecules produced by charge exchange: Two-body dynamics of CH5 and three-body dynamics of sym-triazine

    International Nuclear Information System (INIS)

    Translational spectroscopy and coincidence detection of the neutral photofragments have been used to observe the dissociation dynamics of highly excited neutrals produced by charge exchange between keV cation beams with Cs, and the results from two novel systems are presented. CH5 is formed slightly above the 3s Rydberg level and dissociates into two possible fragmentation channels, H loss and H2 loss. The kinetic energy release distributions of the two products are presented and the branching ratio between the two is found to be 11.4 ± 1.5 : 1 with the H loss being the dominant channel. Production of the highly symmetric azabenzene sym-triazine in its 3s Rydberg state has been shown to induce dissociation to 3 HCN(Σ+). Examination of momentum correlation in the dissociation products shows that this dissociation occurs by two distinct mechanisms. Evidence from Monte Carlo simulations suggest a sequential mechanism occurs creating products accompanied by a kinetic energy release of ∼1.5-5 eV. A symmetric concerted mechanism is also observed and is associated with products receiving a 2-4 eV kinetic energy release.

  9. Detection of 1 - 100 keV x-rays from high intensity, 500 fs laser- produced plasmas using charge-coupled devices

    Energy Technology Data Exchange (ETDEWEB)

    Dunn, J.; Young, B.K.F.; Conder, A.D.; Stewart, R.E.

    1996-01-01

    We describe a compact, vacuum compatible, large format, charge- coupled device (CCD) camera for scientific imaging and detection of 1- 100 keV x rays in experiments at LLNL JANUS-1ps laser. A standard, front-illuminated, multi-pin phase device with 250 k electron full well capacity, low dark current (10 pA/cm{sup 2} at 20 C) and low read noise (5 electron rms) is cooled to -35 C to give the camera excellent 15-bit dynamic range and signal-to-noise response. Intensity and x-ray energy linear response were determined for optical and x-ray (<65 keV) photons and are in excellent agreement. Departure from linearity was less than 0.7%. Inherent linearity and energy dispersive characteristics of CCD cameras are well suited for hard x-ray photon counting. X-rays absorbed within the depletion and field-free regions can be distinguished by studying the pulse height spectrum. Results are presented for the detection of 1-100 keV Bremsstrahlung continuum, K-shell and L-shell fluorescence spectra emitted from high intensity (10{sup 18}W cm{sup -2}), 500 fs laser- produced plasmas.

  10. CHARACTERIZATION OF FULLERENE DERIVATIVES BY MALDI LIFT-TOF/TOF MASS SPECTROMETRY

    OpenAIRE

    PIOTROVSKY L.B.; MILMAN B.L.; NIKOLAEV D.N.; LUGOVKINA N.V.; LITASOVA E.V.; DUMPIS M.A.

    2014-01-01

    MALDI LIFT-TOF/TOF mass spectra of fullerene C 60 and six of its derivatives, methano[60]fullerene carboxylic acid, its ethyl ester, diethyl methano[60]fullerene dicarboxylate, and three isomeric tetraethyl bis-methano[60]fullerene tetracarboxylates (compounds I-VII, respectively) as model analytes were recorded and discussed. This technique used in mass spectrometry for the first time is proposed for the characterization, structure elucidation, and non-target screening of fullerenes.

  11. Fullerene based organic solar cells

    NARCIS (Netherlands)

    Popescu, Lacramioara Mihaela

    2008-01-01

    The direct conversion of the sunlight into electricity is the most elegant process to generate environmentally-friendly renewable energy. Plastic solar cells offer the prospect of flexible, lightweight, lower cost of manufacturing, and hopefully an efficient way to produce electricity from sunlight.

  12. Inhibition of DNA restrictive endonucleases by aqueous nanoparticle suspension of methanophosphonate fullerene derivatives and its mechanisms

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Aqueous nanoparticle suspension of fullerene and its derivatives are currently attracting much attention. To determine the effects of aqueous nanoparticle suspension of a mono-methanophosphonate fullerene and bis-methanophosphonate fullerene (denoted as n-MMPF and n-BMPF, respectively) on the activities of DNA restrictive endonucleases, plasmid pEGFP-N1 was cleaved at a single but differently restrictive site by EcoR I, BamH I, and isozymes Cfr9 I and Xma I, respectively. Both n-MMPF and n-BMPF inhibited the activity of EcoR I, while n-BMPF exhibited stronger inhibition than n-MMPF. Addition of n-BMPF into reaction mixtures inhibited the activities of all the four enzymes, and IC50 values for EcoR I, BamH I, Cfr9 I and Xma I were 4.3, >30, 11.7 and 8.3 μmol/L, respectively. When EcoR I was completely inhibited by n-BMPF, addition of excess amounts of pEGFP-N1 could not produce the product linear plasmid; however, increase of EcoR I amounts antagonized EcoR I inhibition of n-BMPF. Two scavengers of reactive oxygen species (ROS), mannitol and sodium azide at the concentrations of 2-10 mmol/L, did not reverse inhibition of n-BMPF, implying that this inhibition probably is not correlated to ROS. These results suggested that aqueous nano-fullerenes might act as inhibitors of DNA restrictive endonucleases.

  13. On the electronic structure of fullerene anions

    Energy Technology Data Exchange (ETDEWEB)

    Bergomi, L.; Jolicoeur, T. (CEA Centre d' Etudes de Saclay, 91 - Gif-sur-Yvette (France). Service de Physique Theorique)

    1994-02-03

    The authors study the electronic states of isolated fullerene anions C[sub 60][sup n-] (1 [<=] n [<=] 6) taking into account the effective interaction between electrons due to exchange of intramolecular phonons. If the vibronic coupling is strong enough such an effect may overwhelm Hund's rule and lead to an ordering of levels that can be interpreted as on-ball pairing, in a manner similar to the pairing in atomic nuclei. The authors suggest that such effects may be sought in solutions of fulleride ions and discuss recent experimental results.

  14. FULLERENE POLYMERS WITH TUNABLE OPTICAL PROPERTIES

    Institute of Scientific and Technical Information of China (English)

    PENG Han; LEUNG Shukmei; TANG Benzhong

    1997-01-01

    Light transmission spectra of THF solutions of poly (C60-co-methyl methacrylate)s and poly(C60-co-styrene)s continuously red-shift with increasing concentration. Formation of fullerene nanoclusters may be responsible for the unusual spectral shift with concentration.It has long been scientists' dream to "tune" material's properties by simple means, and the C60-containing polymers represent such a group of novel materials whose optical properties are predictably and reversibly tunable by a simple change in concentration.

  15. Engineering the physical parameters for continuous synthesis of fullerene peapods

    Science.gov (United States)

    Tiwari, Neeru; Pandey, Nayancee; Roy, Debmalya; Mukhopadhyay, K.; Eswara Prasad, N.

    2016-05-01

    Previous efforts to insert fullerenes into a carbon nanotube (CNT) involved the isolated synthesis of CNTs and fullerenes and then annealing CNTs and fullerenes together for encapsulation. We demonstrated the process for the continuous production of fullerene peapods inside the arc instrument by modifying the conventional arc ablation system, which can be repeated to obtain the desired mass scale product. Inside the arc discharge unit, by using the tunable external magnetic field, the double-walled CNTs (DWCNTs) were first synthesized and then directed to deposit onto the water cooled aluminium (Al) plate. The openings were created on DWCNTs by controlled heating of the Al plate and then fullerenes were synthesized and deposited on DWCNTs. In the arc instrument, fullerenes were finally directed to enter into DWCNTs from the defect sites by heating the Al plate in a vacuum. The formation of the peapod was established by the structure-property studies despite the huge deposition of metal catalyst nanoparticles and fullerenes on the surface of the nanotube which were a serious challenge for molecular level characterization of the grown peapod structures.

  16. Identification of a positive-Seebeck-coefficient exohedral fullerene.

    Science.gov (United States)

    Almutlaq, Nasser; Al-Galiby, Qusiy; Bailey, Steven; Lambert, Colin J

    2016-07-14

    If fullerene-based thermoelectricity is to become a viable technology, then fullerenes exhibiting both positive and negative Seebeck coefficients are needed. C60 is known to have a negative Seebeck coefficient and therefore in this paper we address the challenge of identifying a positive-Seebeck-coefficient fullerene. We investigated the thermoelectric properties of single-molecule junctions of the exohedral fullerene C50Cl10 connected to gold electrodes and found that it indeed possesses a positive Seebeck coefficient. Furthermore, in common with C60, the Seebeck coefficient can be increased by placing more than one C50Cl10 in series. For a single C50Cl10, we find S = +8 μV K(-1) and for two C50Cl10's in series we find S = +30 μV K(-1). We also find that the C50Cl10 monomer and dimer have power factors of 0.5 × 10(-5) W m(-1) K(-2) and 6.0 × 10(-5) W m(-1) K(-2) respectively. These results demonstrate that exohedral fullerenes provide a new class of thermoelectric materials with desirable properties, which complement those of all-carbon fullerenes, thereby enabling the boosting of the thermovoltage in all-fullerene tandem structures. PMID:27357101

  17. Beyond Fullerenes: Designing Alternative Molecular Electron Acceptors for Solution-Processable Bulk Heterojunction Organic Photovoltaics.

    Science.gov (United States)

    Sauvé, Geneviève; Fernando, Roshan

    2015-09-17

    Organic photovoltaics (OPVs) are promising candidates for providing a low cost, widespread energy source by converting sunlight into electricity. Solution-processable active layers have predominantly consisted of a conjugated polymer donor blended with a fullerene derivative as the acceptor. Although fullerene derivatives have been the acceptor of choice, they have drawbacks such as weak visible light absorption and poor energy tuning that limit overall efficiencies. This has recently fueled new research to explore alternative acceptors that would overcome those limitations. During this exploration, one question arises: what are the important design principles for developing nonfullerene acceptors? It is generally accepted that acceptors should have high electron affinity, electron mobility, and absorption coefficient in the visible and near-IR region of the spectra. In this Perspective, we argue that alternative molecular acceptors, when blended with a conjugated polymer donor, should also have large nonplanar structures to promote nanoscale phase separation, charge separation and charge transport in blend films. Additionally, new material design should address the low dielectric constant of organic semiconductors that have so far limited their widespread application.

  18. Fourth-rank hypermagnetizability of medium-size planar conjugated molecules and fullerene

    Science.gov (United States)

    Pagola, G. I.; Pelloni, S.; Caputo, M. C.; Ferraro, M. B.; Lazzeretti, P.

    2005-09-01

    The fourth-rank hypermagnetizability tensor of a series of planar conjugated molecules—i.e., aromatic naphthalene, nonaromatic borazine, antiaromatic flattened cyclo-octatetraene, pentalene, indacene, and the 60-carbon fullerene,—has been evaluated at the coupled Hartree-Fock level of accuracy, within the conventional common-origin approach, via extended Gaussian basis sets. The theoretical predictions indicate that antiaromatic molecules are characterized by out-of-plane hypermagnetizability components much bigger than benzene’s. The fullerene cage has a hypermagnetizability exceeding that of planar aromatics by three orders of magnitude. However, the experimental determination of the hypermagnetizabilities constitutes a big challenge. Chemically substituted carbon clusters seem good candidates for detection of cubic magnetic response. Understanding of the calculated hypermagnetizabilities is eased by plots of the differential electron density induced by the applied field. It is found that a strong magnetic field perpendicular to the plane of antiaromatic molecules causes a distortion of the electron charge density, which tends to break C-C double bonds. This charge stretching has a dynamical origin and may be qualitatively explained as a feedback effect due to the Lorentz force acting on the electron current density.

  19. Fourth-rank hypermagnetizability of medium-size planar conjugated molecules and fullerene

    International Nuclear Information System (INIS)

    The fourth-rank hypermagnetizability tensor of a series of planar conjugated molecules--i.e., aromatic naphthalene, nonaromatic borazine, antiaromatic flattened cyclo-octatetraene, pentalene, indacene, and the 60-carbon fullerene,--has been evaluated at the coupled Hartree-Fock level of accuracy, within the conventional common-origin approach, via extended Gaussian basis sets. The theoretical predictions indicate that antiaromatic molecules are characterized by out-of-plane hypermagnetizability components much bigger than benzene's. The fullerene cage has a hypermagnetizability exceeding that of planar aromatics by three orders of magnitude. However, the experimental determination of the hypermagnetizabilities constitutes a big challenge. Chemically substituted carbon clusters seem good candidates for detection of cubic magnetic response. Understanding of the calculated hypermagnetizabilities is eased by plots of the differential electron density induced by the applied field. It is found that a strong magnetic field perpendicular to the plane of antiaromatic molecules causes a distortion of the electron charge density, which tends to break C-C double bonds. This charge stretching has a dynamical origin and may be qualitatively explained as a feedback effect due to the Lorentz force acting on the electron current density

  20. Fullerenes: prospects of using in medicine, biology and ecology

    Directory of Open Access Journals (Sweden)

    D. V. Schur

    2012-02-01

    Full Text Available Results of our own research and academic literature data on the properties of fullerenes and carbon nanotubes are analysed and summarized. Chemical stability of the structure and low toxicity of fullerenes determine their usage in medical chemistry, pharmacology and cosmetology. Due to its mechanical strength the nanotubes have become the basis of clean construction and barrier materials. It is shown that a matrix based on fullerit C60 can be obtained. It allows to store up to 7.7 wt. % hydrogen with formation of hydrofullerit C60H60. The usage of fullerenes for accumulation and storage of hydrogen enhances the prospects of clean hydrogen energy development.

  1. Inorganic Fullerene-Like Nanoparticles and Inorganic Nanotubes

    Directory of Open Access Journals (Sweden)

    Reshef Tenne

    2014-11-01

    Full Text Available Fullerene-like nanoparticles (inorganic fullerenes; IF and nanotubes of inorganic layered compounds (inorganic nanotubes; INT combine low dimensionality and nanosize, enhancing the performance of corresponding bulk counterparts in their already known applications, as well as opening new fields of their own [1]. This issue gathers articles from the diverse area of materials science and is devoted to fullerene-like nanoparticles and nanotubes of layered sulfides and boron nitride and collects the most current results obtained at the interface between fundamental research and engineering.[...

  2. Spontaneous formation and stability of small GaP fullerenes

    OpenAIRE

    V. Tozzini; Buda, F.; Fasolino, A.

    2000-01-01

    We report the spontaneous formation of a GaP fullerene cage in ab-initio Molecular Dynamics simulations starting from a bulk fragment. A systematic study of the geometric and electronic properties of neutral and ionized GaP clusters suggests the stability of hetero-fullerenes formed by a compound with zincblend bulk structure. We find that GaP fullerenes up to 28 atoms have high symmetry, closed electronic shells, large HOMO-LUMO energy gaps and do not dissociate when ionized. We compare our ...

  3. The planimetric unfold method of fullerene cage structure

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Two kinds of planimetric diagrams, which consist of the boat form F6 and F5, the storm petrel form F6 and F5, respectively, were proposed to express the geometric structure of fullerene cage in this study. There are two chief advantages using the diagrams: (ⅰ) the spatial symmetrical characteristic of fullerene cage is not destroyed; (ⅱ) the coordination forms of F5 and F6 in the structure can be clearly expressed. This work has laid the foundation for studying the structural geometry of fullerene cage and its quantum chemistry and property.

  4. Topological edge properties of C60+12n fullerenes

    Directory of Open Access Journals (Sweden)

    A. Mottaghi

    2013-06-01

    Full Text Available A molecular graph M is a simple graph in which atoms and chemical bonds are the vertices and edges of M, respectively. The molecular graph M is called a fullerene graph, if M is the molecular graph of a fullerene molecule. It is well-known that such molecules exist for even integers n ≥ 24 or n = 20. The aim of this paper is to investigate the topological properties of a class of fullerene molecules containing 60 + 12n carbon atoms.

  5. Charge exchange produced K-shell x-ray emission from Ar16+ in a tokamak plasma with neutral beam injection

    Energy Technology Data Exchange (ETDEWEB)

    Beiersdorfer, P; Bitter, M; Marion, M; Olson, R E

    2004-12-27

    High-resolution spectroscopy of hot tokamak plasma seeded with argon ions and interacting with an energetic, short-pulse neutral hydrogen beam was used to obtain the first high-resolution K-shell x-ray spectrum formed solely by charge exchange. The observed K-shell emission of Ar{sup 16+} is dominated by the intercombination and forbidden lines, providing clear signatures of charge exchange. Results from an ab initio atomic cascade model provide excellent agreement, validating a semiclassical approach for calculating charge exchange cross sections.

  6. Superconductivity in alkali-doped fullerene nanowhiskers.

    Science.gov (United States)

    Takeya, Hiroyuki; Konno, Toshio; Hirata, Chika; Wakahara, Takatsugu; Miyazawa, Kun'ichi; Yamaguchi, Takahide; Tanaka, Masashi; Takano, Yoshihiko

    2016-09-01

    Superconductivity in alkali metal-doped fullerene nanowhiskers (C60NWs) was observed in K3.3C60NWs, Rb3.0C60NWs and Cs2.0Rb1.0C60NWs with transition temperatures at 17, 25 and 26 K, respectively. Almost full shielding volume fraction (~80%) was observed in K3.3C60NWs when subjected to thermal treatment at 200 °C for a duration of 24 h. In contrast, the shielding fraction of Rb3.0C60NWs and Cs2.0Rb1.0C60NWs were calculated to be 8% and 6%, respectively. Here we report on an extensive investigation of the superconducting properties of these AC60NWs (A  =  K3.3, Rb3.0 and Cs2.0Rb1.0). These properties are compared to the ones reported on the corresponding conventional (single-crystal or powder) K-doped fullerene. We also evaluated the critical current densities of these C60NWs using the Bean model under an applied magnetic field up to 50 kOe. PMID:27385220

  7. The interaction of $He^{-}$ with fullerenes

    CERN Document Server

    Mauracher, A; Huber, S E; Postler, J; Renzler, M; Denifl, S; Scheier, P; Ellis, A M

    2016-01-01

    The effects of interactions between He- and clusters of fullerenes in helium nanodroplets are described. Electron transfer from $He^{-}$ to $(C_{60})_n$ and $(C_{70})_n$ clusters results in the formation of the corresponding fullerene cluster dianions. This unusual double electron transfer appears to be concerted and is most likely guided by electron correlation between the two very weakly bound outer electrons in $He^{-}$. We suggest a mechanism which involves long range electron transfer followed by the conversion of $He^{+}$ into $He_{2}^{+}$, where formation of the $He-He$ bond in $He_{2}^{+}$ releases sufficient kinetic energy for the cation and the dianion to escape their Coulombic attraction. By analogy with the corresponding dications, the observation of a threshold size of n \\geq 5 for formation of both $(C_{60})_n^{2-}$ and $(C_{70})_n^{2-}$ is attributed to Coulomb explosion rather than an energetic constraint. We also find that smaller dianions can be observed if water is added as a co-dopant. Oth...

  8. Dispersive Non-Geminate Recombination in an Amorphous Polymer:Fullerene Blend

    Science.gov (United States)

    Kurpiers, Jona; Neher, Dieter

    2016-05-01

    Recombination of free charge is a key process limiting the performance of solar cells. For low mobility materials, such as organic semiconductors, the kinetics of non-geminate recombination (NGR) is strongly linked to the motion of charges. As these materials possess significant disorder, thermalization of photogenerated carriers in the inhomogeneously broadened density of state distribution is an unavoidable process. Despite its general importance, knowledge about the kinetics of NGR in complete organic solar cells is rather limited. We employ time delayed collection field (TDCF) experiments to study the recombination of photogenerated charge in the high-performance polymer:fullerene blend PCDTBT:PCBM. NGR in the bulk of this amorphous blend is shown to be highly dispersive, with a continuous reduction of the recombination coefficient throughout the entire time scale, until all charge carriers have either been extracted or recombined. Rapid, contact-mediated recombination is identified as an additional loss channel, which, if not properly taken into account, would erroneously suggest a pronounced field dependence of charge generation. These findings are in stark contrast to the results of TDCF experiments on photovoltaic devices made from ordered blends, such as P3HT:PCBM, where non-dispersive recombination was proven to dominate the charge carrier dynamics under application relevant conditions.

  9. A method and apparatus for high-throughput controlled synthesis of fullerenes and endohedral metal fullerenes

    Science.gov (United States)

    Churilov, G. N.; Popov, A. A.; Vnukova, N. G.; Dudnik, A. I.; Glushchenko, G. A.; Samoylova, N. A.; Dubinina, I. A.; Gulyaeva, U. E.

    2016-05-01

    A method for synthesis of carbon nanostructures in a high-frequency arc discharge in the flow of helium (3-4 L/min) is presented. It is shown that the plasma-chemical synthesis of fullerenes and endohedral metal fullerenes (EMFs) can be controlled by changing helium pressure in the chamber. Temperature and electron concentration along the line normal to the discharge axis decrease upon moving away from the axis to the periphery; the larger the pressure, the sharper is the decrease in these parameters. The optimal helium pressure of 98 kPa was found in obtaining the Gd@C82 EMF which corresponds to the maximal EMF yield of 5 wt %.

  10. Simple and Onion-type Fullerenes shells as resonators and amplifiers

    CERN Document Server

    Amusia, M Ya

    2009-01-01

    We discuss the influence of a single or double fullerenes shell upon photoionization and vacancy decay of an atom, stuffed inside the fullerenes construction. The main manifestations of this influence are additional structures in the photoionization cross-section and variation of the vacancy decay probability. The main mechanisms, with which fullerenes shells affect the processes in caged atoms is the scattering of the outgoing electrons by the fullerenes shell and modification of the photon beam due to fullerenes shell polarization. General consideration will be illustrated by numeric calculations where C60 and C240 will be chosen as fullerenes and Ar and Xe as caged atoms.

  11. Synthesis of a new class of fullerene derivative Li+@C60O-(OH)7 as a ``cation-encapsulated anion nanoparticle''

    Science.gov (United States)

    Ueno, Hiroshi; Kokubo, Ken; Kwon, Eunsang; Nakamura, Yuji; Ikuma, Naohiko; Oshima, Takumi

    2013-02-01

    Metal encapsulation into a cage and chemical modification on the outer surface of fullerenes endow them with some unique characteristic properties. Although the derivatization of endohedral fullerenes holds promise for producing novel new nano-carbon materials, there are few reports about such compounds. Herein, we report the synthesis of lithium encapsulated fullerenol Li+@C60O-(OH)7 using a fuming sulfuric acid method from [Li+@C60](PF6-) and characterization of its structure by IR, NMR, FAB mass spectroscopy, and elemental analysis. The hydroxylation of [Li+@C60](PF6-) is site-selective to preferentially give a single isomer (ca. 70%) with two minor isomers in marked contrast to the reaction of empty C60. We conclude from the analysis of radical species produced in the reaction of a C60 cage with fuming sulfuric acid that this unusual site-selective hydroxylation is caused by the lower HOMO level of Li+@C60 than that of empty C60. Furthermore, our results clearly indicate that the internal lithium cation is interacted with the introduced hydroxyl groups, and thus the properties of endohedral fullerenes can be controlled by the external modification of a fullerene cage.Metal encapsulation into a cage and chemical modification on the outer surface of fullerenes endow them with some unique characteristic properties. Although the derivatization of endohedral fullerenes holds promise for producing novel new nano-carbon materials, there are few reports about such compounds. Herein, we report the synthesis of lithium encapsulated fullerenol Li+@C60O-(OH)7 using a fuming sulfuric acid method from [Li+@C60](PF6-) and characterization of its structure by IR, NMR, FAB mass spectroscopy, and elemental analysis. The hydroxylation of [Li+@C60](PF6-) is site-selective to preferentially give a single isomer (ca. 70%) with two minor isomers in marked contrast to the reaction of empty C60. We conclude from the analysis of radical species produced in the reaction of a C60 cage

  12. The role of fullerene shell upon stuffed atom polarization potential

    CERN Document Server

    Amusia, M Ya

    2015-01-01

    We have demonstrated that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects the electron elastic scattering phases as well as corresponding cross-sections. We illustrate the general trend by concrete examples of electron scattering by endohedrals of Neon and Argon. To obtain the presented results, we have suggested a simplified approach that permits to incorporate the effect of fullerenes polarizability into the Neon and Argon endohedrals polarization potential. As a result, we obtained numeric results that show strong variations in shape and magnitudes of scattering phases and cross-sections due to effect of fullerene polarization upon the endohedral polarization potential.

  13. Production and Consumption of Reactive Oxygen Species by Fullerenes

    Science.gov (United States)

    Reactive oxygen species (ROS) are one of the most important intermediates in chemical, photochemical, and biological processes. To understand the environmental exposure and toxicity of fullerenes better, the production and consumption of ROS (singlet oxygen, superoxide, hydrogen ...

  14. Super-atom molecular orbital excited states of fullerenes.

    Science.gov (United States)

    Johansson, J Olof; Bohl, Elvira; Campbell, Eleanor E B

    2016-09-13

    Super-atom molecular orbitals are orbitals that form diffuse hydrogenic excited electronic states of fullerenes with their electron density centred at the centre of the hollow carbon cage and a significant electron density inside the cage. This is a consequence of the high symmetry and hollow structure of the molecules and distinguishes them from typical low-lying molecular Rydberg states. This review summarizes the current experimental and theoretical studies related to these exotic excited electronic states with emphasis on femtosecond photoelectron spectroscopy experiments on gas-phase fullerenes.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'. PMID:27501970

  15. Switching Molecular Orientation of Individual Fullerene at Room Temperature

    OpenAIRE

    Liu, Lacheng; Liu, Shuyi; Chen, Xiu; Li, Chao; Ling, Jie; Liu, Xiaoqing; Cai, Yingxiang; Wang, Li

    2013-01-01

    Reversible molecular switches with molecular orientation as the information carrier have been achieved on individual fullerene molecules adsorbed on Si (111) surface at room temperature. Scanning tunneling microscopy imaging directly demonstrates that the orientation of individual fullerene with an adsorption geometry of 5-6 bond is rotated by integral times as 30 degree after a pulse bias is applied between the STM tip and the molecule. Dependences of the molecular rotation probability on th...

  16. Icosadeltahedral geometry of fullerenes, viruses and geodesic domes

    OpenAIRE

    Siber, Antonio

    2007-01-01

    I discuss the symmetry of fullerenes, viruses and geodesic domes within a unified framework of icosadeltahedral representation of these objects. The icosadeltahedral symmetry is explained in details by examination of all of these structures. Using Euler's theorem on polyhedra, it is shown how to calculate the number of vertices, edges, and faces in domes, and number of atoms, bonds and pentagonal and hexagonal rings in fullerenes. Caspar-Klug classification of viruses is elaborated as a speci...

  17. Biomedical applications of functionalized fullerene-based nanomaterials

    OpenAIRE

    Ranga Partha; Conyers, Jodie L.

    2009-01-01

    Ranga Partha, Jodie L ConyersCenter for Translational Injury Research, The University of Texas Health Science Center, Houston, TX 77030, USAAbstract: Since their discovery in 1985, fullerenes have been investigated extensively due to their unique physical and chemical properties. In recent years, studies on functionalized fullerenes for various applications in the field of biomedical sciences have seen a significant increase. The ultimate goal is towards employing these functionalized fullere...

  18. Fullerenes: prospects of using in medicine, biology and ecology

    OpenAIRE

    D. V. Schur; Z. Z. Matysina; S. Y. Zaginaichenko; N. P. Botsva; О. V. Elina

    2012-01-01

    Results of our own research and academic literature data on the properties of fullerenes and carbon nanotubes are analysed and summarized. Chemical stability of the structure and low toxicity of fullerenes determine their usage in medical chemistry, pharmacology and cosmetology. Due to its mechanical strength the nanotubes have become the basis of clean construction and barrier materials. It is shown that a matrix based on fullerit C60 can be obtained. It allows to store up to 7.7 wt. % hydro...

  19. New approaches to the multiple functionalization of fullerene

    OpenAIRE

    Carini, Marco

    2014-01-01

    Fullerene C60 is a charming molecule, its beautiful symmetry and its unique properties are still intriguing scientific community after almost three decades from its discovery. Investigation of its properties and applications is still an active field. In our group we are interested especially in the biological aspect of fullerene sciences. In this field, polyfunctional derivatives are particularly attractive, for the increased solubility and for the possibility to attach different biologica...

  20. Fullerene derivatives protect endothelial cells against NO-induced damage

    Energy Technology Data Exchange (ETDEWEB)

    Lao Fang; Han Dong; Qu Ying; Liu Ying; Zhao Yuliang; Chen Chunying [CAS Key Laboratory for Biological Effects of Nanomaterials and Nanosafety, National Center for Nanoscience and Technology (NCNST), Beijing 100190 (China); Li Wei [CAS Key Laboratory for Nuclear Analytical Techniques, Institute of High Energy Physics (IHEP), Chinese Academy of Sciences, Beijing 100049 (China)], E-mail: chenchy@nanoctr.cn

    2009-06-03

    Functional fullerene derivatives have been demonstrated with potent antioxidation properties. Nitric oxide (NO) is a free radical that plays a part in leading to brain damage when it is accumulated to a high concentration. The possible scavenging activity of NO by the hydroxylated fullerene derivative C{sub 60}(OH){sub 22} and malonic acid derivative C{sub 60}(C(COOH){sub 2}){sub 2} was investigated using primary rat brain cerebral microvessel endothelial cells (CMECs). Results demonstrate that sodium nitroprusside (SNP), used as an NO donor, caused a marked decrease in cell viability and an increase in apoptosis. However, fullerene derivatives can remarkably protect against the apoptosis induced by NO assault. In addition, fullerene derivatives can also prevent NO-induced depolymerization of cytoskeleton and damage of the nucleus and accelerate endothelial cell repair. Further investigation shows that the sudden increase of the intercellular reactive oxygen species (ROS) induced by NO was significantly attenuated by post-treatment with fullerene derivatives. Our results suggest that functional fullerene derivatives are potential applications for NO-related disorders.

  1. Fullerenes and interplanetary dust at the Permian-Triassic boundary.

    Science.gov (United States)

    Poreda, Robert J; Becker, Luann

    2003-01-01

    We recently presented new evidence that an impact occurred approximately 250 million years ago at the Permian-Triassic boundary (PTB), triggering the most severe mass extinction in the history of life on Earth. We used a new extraterrestrial tracer, fullerene, a third carbon carrier of noble gases besides diamond and graphite. By exploiting the unique properties of this molecule to trap noble gases inside of its caged structure (helium, neon, argon), the origin of the fullerenes can be determined. Here, we present new evidence for fullerenes with extraterrestrial noble gases in the PTB at Graphite Peak, Antarctica, similar to PTB fullerenes from Meishan, China and Sasayama, Japan. In addition, we isolated a (3)He-rich magnetic carrier phase in three fractions from the Graphite Peak section. The noble gases in this magnetic fraction were similar to zero-age deep-sea interplanetary dust particles (IDPs) and some magnetic grains isolated from the Cretaceous-Tertiary boundary. The helium and neon isotopic compositions for both the bulk Graphite Peak sediments and an isolated magnetic fraction from the bulk material are consistent with solar-type gases measured in zero-age deep-sea sediments and point to a common source, namely, the flux of IDPs to the Earth's surface. In this instance, the IDP noble gas signature for the bulk sediment can be uniquely decoupled from fullerene, demonstrating that two separate tracers are present (direct flux of IDPs for (3)He vs. giant impact for fullerene).

  2. Histopathology of fathead minnow (Pimephales promelas) exposed to hydroxylated fullerenes.

    Science.gov (United States)

    Jovanović, Boris; Whitley, Elizabeth M; Palić, Dušan

    2014-11-01

    Hydroxylated fullerenes are reported to be very strong antioxidants, acting to quench reactive oxygen species, thus having strong potential for important and widespread applications in innovative therapies for a variety of disease processes. However, their potential for toxicological side effects is still largely controversial and unknown. Effects of hydroxylated fullerenes C60(OH)24 on the fathead minnow (Pimephales promelas) were investigated microscopically after a 72-hour (acute) exposure by intraperitoneal injection of 20 ppm of hydroxylated fullerenes per gram of body mass. Cumulative, semi-quantitative histopathologic evaluation of brain, liver, anterior kidney, posterior kidney, skin, coelom, gills and the vestibuloauditory system revealed significant differences between control and hydroxylated fullerene-treated fish. Fullerene-treated fish had much higher cumulative histopathology scores. Histopathologic changes included loss of cellularity in the interstitium of the kidney, a primary site of haematopoiesis in fish, and loss of intracytoplasmic glycogen in liver. In the coelom, variable numbers of leukocytes, including many macrophages and fewer heterophils and rodlet cells, were admixed with the nanomaterial. These findings raise concern about in vivo administration of hydroxylated fullerenes in experimental drugs and procedures in human medicine, and should be investigated in more detail.

  3. Synthetic Strategies towards Fullerene-Rich Dendrimer Assemblies

    Directory of Open Access Journals (Sweden)

    Jean-François Nierengarten

    2012-02-01

    Full Text Available The sphere-shaped fullerene has attracted considerable interest not least due to the peculiar electronic properties of this carbon allotrope and the fascinating materials emanating from fullerene-derived structures. The rapid development and tremendous advances in organic chemistry allow nowadays the modification of C60 to a great extent by pure chemical means. It is therefore not surprising that the fullerene moiety has also been part of dendrimers. At the initial stage, fullerenes have been examined at the center of the dendritic structure mainly aimed at possible shielding effects as exerted by the dendritic environment and light-harvesting effects due to multiple chromophores located at the periphery of the dendrimer. In recent years, also many research efforts have been devoted towards fullerene-rich nanohybrids containing multiple C60 units in the branches and/or as surface functional groups. In this review, synthetic efforts towards the construction of dendritic fullerene-rich nanostructures have been compiled and will be summarized herein.

  4. Binding of fullerenes to amyloid beta fibrils: size matters.

    Science.gov (United States)

    Huy, Pham Dinh Quoc; Li, Mai Suan

    2014-10-01

    Binding affinity of fullerenes C20, C36, C60, C70 and C84 for amyloid beta fibrils is studied by docking and all-atom molecular dynamics simulations with the Amber force field and water model TIP3P. Using the molecular mechanic-Poisson Boltzmann surface area method one can demonstrate that the binding free energy linearly decreases with the number of carbon atoms of fullerene, i.e. the larger is the fullerene size, the higher is the binding affinity. Overall, fullerenes bind to Aβ9-40 fibrils stronger than to Aβ17-42. The number of water molecules trapped in the interior of 12Aβ9-40 fibrils was found to be lower than inside pentamer 5Aβ17-42. C60 destroys Aβ17-42 fibril structure to a greater extent compared to other fullerenes. Our study revealed that the van der Waals interaction dominates over the electrostatic interaction and non-polar residues of amyloid beta peptides play the significant role in interaction with fullerenes providing novel insight into the development of drug candidates against Alzheimer's disease.

  5. Efficient Regular Perovskite Solar Cells Based on Pristine [70]Fullerene as Electron-Selective Contact.

    Science.gov (United States)

    Collavini, Silvia; Kosta, Ivet; Völker, Sebastian F; Cabanero, German; Grande, Hans J; Tena-Zaera, Ramón; Delgado, Juan Luis

    2016-06-01

    [70]Fullerene is presented as an efficient alternative electron-selective contact (ESC) for regular-architecture perovskite solar cells (PSCs). A smart and simple, well-described solution processing protocol for the preparation of [70]- and [60]fullerene-based solar cells, namely the fullerene saturation approach (FSA), allowed us to obtain similar power conversion efficiencies for both fullerene materials (i.e., 10.4 and 11.4 % for [70]- and [60]fullerene-based devices, respectively). Importantly, despite the low electron mobility and significant visible-light absorption of [70]fullerene, the presented protocol allows the employment of [70]fullerene as an efficient ESC. The [70]fullerene film thickness and its solubility in the perovskite processing solutions are crucial parameters, which can be controlled by the use of this simple solution processing protocol. The damage to the [70]fullerene film through dissolution during the perovskite deposition is avoided through the saturation of the perovskite processing solution with [70]fullerene. Additionally, this fullerene-saturation strategy improves the performance of the perovskite film significantly and enhances the power conversion efficiency of solar cells based on different ESCs (i.e., [60]fullerene, [70]fullerene, and TiO2 ). Therefore, this universal solution processing protocol widens the opportunities for the further development of PSCs. PMID:26991031

  6. Thermodynamic, kinetic and electronic structure aspects of a charge-transfer active bichromophoric organofullerene

    Indian Academy of Sciences (India)

    K Senthil Kumar; Archita Patnaik

    2013-03-01

    Our recent work on charge transfer in the electronically push-pull dimethylaminoazobenzene-fullerene C60 donor-bridge-acceptor dyad through orbital picture revealed charge displacement from the n(N=N) (non-bonding) and (N=N) type orbitals centred on the donor part to the purely fullerene centred LUMOs and (LUMO+n) orbitals, delocalized over the entire molecule. Consequently, this investigation centres around the kinetic and thermodynamic parameters involved in the solvent polarity dependent intramolecular photo-induced electron transfer processes in the dyad, indispensable for artificial photosynthetic systems. A quasi-reversible electron transfer pathway was elucidated with electrode-specific heterogeneous electron transfer rate constants.

  7. Status seminar on the application potential of fullerenes. Status seminar and panel discussion; Statusseminar Anwendungspotential der Fullerene. Vortraege und Podiumsdiskussion

    Energy Technology Data Exchange (ETDEWEB)

    Hoffschulz, H. [comp.

    1996-12-31

    The application potential of fullerenes extends to the following areas: Owing to their similarity to active carbon the use of fullerenes as well as of the soot arising during their production in catalytic applications appears an interesting possibility. Structural modifications will permit influencing the catalytic properties of the employed substances. Addition of functional groups has led to a wide range of fullerne variants whose chemical properties and application potentials are still being studied. Polymers can be altered in their structure and properties by the integration of fullerenes. The possibility of increasing the photoconductivity of polymers in this way could be applied to photodetectors and solar cells, for example. Exposure to light causes fullerenes to polymerise and drastically reduces their solubility in commercial solvents. This may render them useful as a masking material in microstructuring. Diamond layers from fullerene vapour are very durable and can be manufactured in large sheets at comparatively low cost. In spite of their low density nanotubes are of incredible stiffness and as such an ideal component for composite materials. In monitors nanotubes can function as electron sources and replace the traditional cathode ray tube. A prerequisite for studying the properties of endohedral fullerenes is their availability in macroscopic amounts. In order to assess their potential it will first be necessary to develop suitable production methods. (orig./SR) [Deutsch] Folgende Anwendungspotentiale fuer Fullorene sind denkbar: - Die Verwandtschaft der Fullerene und des bei ihrer Erzeugung anfallenden Russes zur Aktivkohle sind fuer katalytische Anwendungen interessant, wobei die Katalyseeigenschaften durch Modifizierungen der Struktur veraendert werden koennen. - Mittlerweile stehen eine Vielzahl verschiedener Fulleren-Modifikationen durch Anbringen von funktionellen Gruppen zur Verfuegung, deren chemische Eigenschaften und Anwendungspotentiale

  8. Comparative Study of APFO-3 Solar Cells Using Mono- and Bisadduct Fullerenes as Acceptor

    OpenAIRE

    Hsu, Yu-Te

    2010-01-01

    The urgent need for new, sustainable energy source intrigues scientists to provide the solution by developing new technology. Polymer solar cell appears to be the most promising candidate for its low cost, flexibility, and massive producibility. Novel polymers have been constantly synthesized and investigated, while the use of PCBM as acceptor seems to be the universal choice. Here, we studied the use of four dierent fullerene derivatives - [60]PCBM, [70]PCBM, and their bisadduct analogues - ...

  9. Combined Computational Approach Based on Density Functional Theory and Artificial Neural Networks for Predicting The Solubility Parameters of Fullerenes.

    Science.gov (United States)

    Perea, J Darío; Langner, Stefan; Salvador, Michael; Kontos, Janos; Jarvas, Gabor; Winkler, Florian; Machui, Florian; Görling, Andreas; Dallos, Andras; Ameri, Tayebeh; Brabec, Christoph J

    2016-05-19

    The solubility of organic semiconductors in environmentally benign solvents is an important prerequisite for the widespread adoption of organic electronic appliances. Solubility can be determined by considering the cohesive forces in a liquid via Hansen solubility parameters (HSP). We report a numerical approach to determine the HSP of fullerenes using a mathematical tool based on artificial neural networks (ANN). ANN transforms the molecular surface charge density distribution (σ-profile) as determined by density functional theory (DFT) calculations within the framework of a continuum solvation model into solubility parameters. We validate our model with experimentally determined HSP of the fullerenes C60, PC61BM, bisPC61BM, ICMA, ICBA, and PC71BM and through comparison with previously reported molecular dynamics calculations. Most excitingly, the ANN is able to correctly predict the dispersive contributions to the solubility parameters of the fullerenes although no explicit information on the van der Waals forces is present in the σ-profile. The presented theoretical DFT calculation in combination with the ANN mathematical tool can be easily extended to other π-conjugated, electronic material classes and offers a fast and reliable toolbox for future pathways that may include the design of green ink formulations for solution-processed optoelectronic devices. PMID:27070101

  10. Spin signatures of photogenerated radical anions in polymer-[70]fullerene bulk-heterojunctions : high-frequency pulsed EPR spectroscopy.

    Energy Technology Data Exchange (ETDEWEB)

    Poluektov, O. G.; Filippone, S.; Martin, N.; Sperlich, A.; Deibel, C.; Dyakonov, V. (Chemical Sciences and Engineering Division); (Univ. Complutense de Madrid); (Univ. of Wurzburg)

    2010-04-14

    Charged polarons in thin films of polymer-fullerene composites are investigated by light-induced electron paramagnetic resonance (EPR) at 9.5 GHz (X-band) and 130 GHz (D-band). The materials studied were poly(3-hexylthiophene) (PHT), [6,6]-phenyl-C61-butyric acid methyl ester (C{sub 60}-PCBM), and two different soluble C{sub 70}-derivates: C{sub 70}-PCBM and diphenylmethano[70]fullerene oligoether (C{sub 70}-DPM-OE). The first experimental identification of the negative polaron localized on the C{sub 70}-cage in polymer-fullerene bulk heterojunctions has been obtained. When recorded at conventional X-band EPR, this signal is overlapping with the signal of the positive polaron, which does not allow for its direct experimental identification. Owing to the superior spectral resolution of the high frequency D-band EPR, we were able to separate light-induced signals from P{sup +} and P{sup -} in PHT-C{sub 70} bulk heterojunctions. Comparing signals from C{sub 70}-derivatives with different side-chains, we have obtained experimental proof that the polaron is localized on the cage of the C{sub 70} molecule.

  11. Spin Signatures of Photogenerated Radical Anions in Polymer-[70]Fullerene Bulk Heterojunctions: High Frequency Pulsed EPR Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Poluektov, Oleg G. [Argonne National Lab. (ANL), Argonne, IL (United States); Filippone, Salvatore [Universidad Complutense de Madrid (Spain); Martin, C. R. [Universidad Complutense de Madrid (Spain); Sperlich, Andreas [Julius-Maximilians Univ. of Wurzburg (Germany); Deibel, Carsten [Julius-Maximilians Univ. of Wurzburg (Germany); Dyakonov, Vladimir [Julius-Maximilians Univ. of Wurzburg (Germany)

    2010-11-18

    Charged polarons in thin films of polymer-fullerene composites are investigated by light-induced electron paramagnetic resonance (EPR) at 9.5 GHz (X-band) and 130 GHz (D-band). The materials studied were poly(3-hexylthiophene) (PHT), [6,6]-phenyl-C61-butyric acid methyl ester (C60-PCBM), and two different soluble C70-derivates: C70-PCBM and diphenylmethano[70]fullerene oligoether (C70-DPM-OE). The first experimental identification of the negative polaron localized on the C70-cage in polymer-fullerene bulk heterojunctions has been obtained. When recorded at conventional X-band EPR, this signal is overlapping with the signal of the positive polaron, which does not allow for its direct experimental identification. Owing to the superior spectral resolution of the high frequency D-band EPR, we were able to separate light-induced signals from P+ and P- in PHT-C70 bulk heterojunctions. Comparing signals from C70-derivatives with different side-chains, we have obtained experimental proof that the polaron is localized on the cage of the C70 molecule.

  12. Spin signatures of photogenerated radical anions in polymer-[70]fullerene bulk heterojunctions: high frequency pulsed EPR spectroscopy.

    Science.gov (United States)

    Poluektov, Oleg G; Filippone, Salvatore; Martín, Nazario; Sperlich, Andreas; Deibel, Carsten; Dyakonov, Vladimir

    2010-11-18

    Charged polarons in thin films of polymer-fullerene composites are investigated by light-induced electron paramagnetic resonance (EPR) at 9.5 GHz (X-band) and 130 GHz (D-band). The materials studied were poly(3-hexylthiophene) (PHT), [6,6]-phenyl-C61-butyric acid methyl ester (C(60)-PCBM), and two different soluble C(70)-derivates: C(70)-PCBM and diphenylmethano[70]fullerene oligoether (C(70)-DPM-OE). The first experimental identification of the negative polaron localized on the C(70)-cage in polymer-fullerene bulk heterojunctions has been obtained. When recorded at conventional X-band EPR, this signal is overlapping with the signal of the positive polaron, which does not allow for its direct experimental identification. Owing to the superior spectral resolution of the high frequency D-band EPR, we were able to separate light-induced signals from P(+) and P(-) in PHT-C(70) bulk heterojunctions. Comparing signals from C(70)-derivatives with different side-chains, we have obtained experimental proof that the polaron is localized on the cage of the C(70) molecule.

  13. Spin signatures of photogenerated radical anions in polymer-[70] fullerene bulk-heterojunctions : high-frequency pulsed EPR spectroscopy.

    Energy Technology Data Exchange (ETDEWEB)

    Poluektov, O. G.; Filippone, S.; Martin, N.; Sperlich, A.; Deibel, C.; Dyakonov, V. (Chemical Sciences and Engineering Division); (Univ. Complutense de Madrid); (Univ. of Wurzburg)

    2010-01-01

    Charged polarons in thin films of polymer-fullerene composites are investigated by light-induced electron paramagnetic resonance (EPR) at 9.5 GHz (X-band) and 130 GHz (D-band). The materials studied were poly(3-hexylthiophene) (PHT), [6,6]-phenyl-C61-butyric acid methyl ester (C{sub 60}-PCBM), and two different soluble C{sub 70}-derivates: C{sub 70}-PCBM and diphenylmethano[70]fullerene oligoether (C{sub 70}-DPM-OE). The first experimental identification of the negative polaron localized on the C{sub 70}-cage in polymer-fullerene bulk heterojunctions has been obtained. When recorded at conventional X-band EPR, this signal is overlapping with the signal of the positive polaron, which does not allow for its direct experimental identification. Owing to the superior spectral resolution of the high frequency D-band EPR, we were able to separate light-induced signals from P{sup +} and P{sup -} in PHT-C{sub 70} bulk heterojunctions. Comparing signals from C{sub 70}-derivatives with different side-chains, we have obtained experimental proof that the polaron is localized on the cage of the C{sub 70} molecule.

  14. Packing and Disorder in Substituted Fullerenes

    KAUST Repository

    Tummala, Naga Rajesh

    2016-07-15

    Fullerenes are ubiquitous as electron-acceptor and electron-transport materials in organic solar cells. Recent synthetic strategies to improve the solubility and electronic characteristics of these molecules have translated into a tremendous increase in the variety of derivatives employed in these applications. Here, we use molecular dynamics (MD) simulations to examine the impact of going from mono-adducts to bis- and tris-adducts on the structural, cohesive, and packing characteristics of [6,6]-phenyl-C60-butyric acid methyl ester (PCBM) and indene-C60. The packing configurations obtained at the MD level then serve as input for density functional theory calculations that examine the solid-state energetic disorder (distribution of site energies) as a function of chemical substitution. The variations in structural and site-energy disorders reflect the fundamental materials differences among the derivatives and impact the performance of these materials in thin-film electronic devices.

  15. Changes in Agglomeration of Fullerenes During Ingestion and Excretion in Thamnocephalus Platuyrus

    Science.gov (United States)

    The crustacean Thamnocephalus platyurus was exposed to aqueous suspensions of fullerenes C60 and C70. Aqueous fullerene suspensions were formed by stirring C60 and C70 as received from a commercial vendor in deionized water (term...

  16. Potential applications of fullerenes. Fullerenes in large-surface photodetectors and solar cells. Final report; Anwendungspotential der Fullerene. Einsatz von Fullerenen in grossflaechigen Photodetektoren und Solarzellen. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Lemmer, U.; Feldmann, J.

    1999-02-01

    In combination with conjugated polymers, fullerenes can play an important role in active optoelectronic layers, e.g. in photodiodes and solar cells where they act as electron acceptors in a photo-induced electron transfer process. The contribution investigates the specific effects of morphology and attempts to define optimized preparation conditions. The dynamics of electron transfer (ET) was investigated directly by means of time-resolved optical measurements. It was shown that the ET takes place on a time scale of a few picoseconds depending on the fullerene concentration, and that it is preceded by a diffusion process of optical excitation in the conjugated polymer. For selective control of the morphology of fullerene/polymer composite systems, a multilayer deposition technique based on the principle of self-organisation was developed. The first components based on this method had a quantum efficiency of 7% electrons. [Deutsch] Fullerene koennen in Kombination mit konjugierten Polymeren eine wichtige Rolle in aktiven optoelektronischen Schichten, z.B. in Photodioden und Solarzellen spielen. Die Fullerene fungieren hierbei als Elektronenakzeptoren in einem photoinduzierten Elektronentransferprozess. Ziel der Untersuchungen war ein tieferes Verstaendnis der Elektronentransferprozesse und der relevanten Zeit- und Laengenskalen. Es sollte der spezifische Einfluss der Morphologie herausgearbeitet werden, bzw. optimierte Praeparationsbedingungen gefunden werden. Durch zeitaufgeloeste optische Messungen wurde direkt die Dynamik des Elektronentransfers (ET) untersucht. Es wurde gezeigt, dass in Abhaengigkeit von der Fullerenkonzentration der ET auf einer Zeitskala von wenigen Pikosekunden ablaeuft. Dem eigentlichen ET geht ein Diffusionsprozess der optischen Anregung im konjugierten Polymer voraus. Fuer eine gezielte Kontrolle der Morphologie der Fulleren/Polymer-Kompositsysteme wurde eine auf dem Prinzip der Selbstorganisation beruhende Multilagendepositionstechnik

  17. Hetero Bis-Addition of Spiro-Acetalized or Cyclohexanone Ring to 58π Fullerene Impacts Solubility and Mobility Balance in Polymer Solar Cells.

    Science.gov (United States)

    Mikie, Tsubasa; Saeki, Akinori; Ikuma, Naohiko; Kokubo, Ken; Seki, Shu

    2015-06-17

    Fullerene bis-adducts are increasingly being studied to gain a high open circuit voltage (Voc) in bulk heterojunction organic photovoltaics (OPVs). We designed and synthesized homo and hetero bis-adduct [60]fullerenes by combining fused cyclohexanone or a five-membered spiro-acetalized unit (SAF5) with 1,2-dihydromethano (CH2), indene, or [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These new eight 56π fullerenes showed a rational rise of the lowest unoccupied molecular orbital (LUMO). We perform a systematic study on the electrochemical property, solubility, morphology, and space-charge-limited current (SCLC) mobility. The best power conversion efficiency (PCE) of 4.43% (average, 4.36%) with the Voc of 0.80 V was obtained for poly(3-hexylthiophene) (P3HT) blended with SAF5/indene hetero bis-adduct, which is a marked advancement in PCE compared to the 0.9% of SAF5 monoadduct. More importantly, we elucidate an important role of mobility balance between hole and electron that correlates with the device PCEs. Besides, an empirical equation to extrapolate the solubilities of hetero bis-adducts is proposed on the basis of those of counter monoadducts. Our work offers a guide to mitigate barriers for exploring a large number of hetero bis-adduct fullerenes for efficient OPVs.

  18. Photoinduced electron transfer in porous organic salt crystals impregnated with fullerenes.

    Science.gov (United States)

    Hasegawa, Tetsuya; Ohkubo, Kei; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu; Fukuzumi, Shunichi

    2016-06-28

    Porous organic salt (POS) crystals composed of 9-(4-sulfophenyl)anthracene (SPA) and triphenylmethylamine (TPMA) were impregnated with fullerenes (C60 and C70), which were arranged in one dimensional close contact. POS crystals of SPA and TPMA without fullerenes exhibit blue fluorescence due to SPA, whereas the fluorescence was quenched in POS with fullerenes due to electron transfer from the singlet excited state of SPA to fullerenes. PMID:27182038

  19. Electron-state control of carbon nanotubes by space and encapsulated fullerenes

    OpenAIRE

    Okada, Susumu; Otani, Minoru; Oshiyama, Atsushi

    2003-01-01

    We report total-energy electronic structure calculations that provide energetics of encapsulation of various fullerenes in carbon nanotubes and electronic structures of resulting carbon peapods. We find that the electron states of the peapods depend on the space in the nanotubes and that they reflect electron states of the encapsulated fullerenes. The deep energy position of the lowest unoccupied state of fullerenes as well as hybridization between π states of the fullerenes and the nearly fr...

  20. Simple and Onion-type Fullerenes shells as resonators and amplifiers

    OpenAIRE

    Amusia, M. Ya.

    2009-01-01

    We discuss the influence of a single or double fullerenes shell upon photoionization and vacancy decay of an atom, stuffed inside the fullerenes construction. The main manifestations of this influence are additional structures in the photoionization cross-section and variation of the vacancy decay probability. The main mechanisms, with which fullerenes shells affect the processes in caged atoms is the scattering of the outgoing electrons by the fullerenes shell and modification of the photon ...

  1. Coulomb interaction effects on nonlinear optical response in C60, C70, and higher fullerenes

    OpenAIRE

    Harigaya, Kikuo

    1998-01-01

    Nonlinear optical properties in the fullerene C$_{60}$ and the extracted higher fullerenes -- C$_{70}$, C$_{76}$, C$_{78}$, and C$_{84}$ -- are theoretically investigated by using the exciton formalism and the sum-over-states method. We find that off-resonant third order susceptibilities of higher fullerenes are a few times larger than those of C$_{60}$. The magnitude of nonlinearity increases as the optical gap decreases in higher fullerenes. The nonlinearity is nearly proportional to the fo...

  2. Role of electronic structure in ionization and fragmentation of endohedral fullerenes Ho3 N@ C80 in an intense femtosecond laser field

    Science.gov (United States)

    Xiong, Hui; Fang, Li; Osipov, Timur; Sistruk, Emily; Wolf, Thomas; Mignolet, Benoit; Remacle, Francoise; Gühr, Markus; Berrah, Nora

    2016-05-01

    The ionization and fragmentation of gas phase endohedral fullerene Ho3 N@ C80wasinvestigated using ultrashort 800 nm laser pulses with an ion velocity map imaging (VMI) spectrometer. The power law's dependence In on laser intensity of the singly, doubly, and triply charged Ho3 N@ C80 molecule and Ho+ ion fragments have been experimentally determined. Theoretical calculation indicates that the superatom molecular orbitals (SAMOs) electronic states in Ho3 N@ C80 can be populated through direct multiphoton excitation. The ionization power law essentially reflects the photoexcitation step to the SAMOs. In addition to the molecular nuclear frame heating by electron-vibrational coupling, we observe a rapid heating process, which could be an `avalanche' process, produced via semi-free electrons impacting the molecular nuclear frame at high laser intensity. This work is funded by the Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Grants No. DE-SC0012376 and DE-SC0012628.

  3. K x-ray transitions from highly charged very slow Ne recoil ions produced by 1.4 MeV/amu very heavy ion impact

    International Nuclear Information System (INIS)

    K x-ray transitions in highly charged neon recoil ions have been observed in collisions of 1.4 MeV/amu Ar12+, Ti14+, Ni16+, Kr18+, Xe24+, Pb36+ and U40+ with a neon gas target. The spectral lines are attributed to excited states of Ne9+, Ne8+ and Ne7+. Experimental evidence is given for a secondary selective electron capture into outer shells of fully stripped slow target ions. (author)

  4. C60 fullerene localization and membrane interactions in RAW 264.7 immortalized mouse macrophages

    Science.gov (United States)

    Russ, K. A.; Elvati, P.; Parsonage, T. L.; Dews, A.; Jarvis, J. A.; Ray, M.; Schneider, B.; Smith, P. J. S.; Williamson, P. T. F.; Violi, A.; Philbert, M. A.

    2016-02-01

    There continues to be a significant increase in the number and complexity of hydrophobic nanomaterials that are engineered for a variety of commercial purposes making human exposure a significant health concern. This study uses a combination of biophysical, biochemical and computational methods to probe potential mechanisms for uptake of C60 nanoparticles into various compartments of living immune cells. Cultures of RAW 264.7 immortalized murine macrophage were used as a canonical model of immune-competent cells that are likely to provide the first line of defense following inhalation. Modes of entry studied were endocytosis/pinocytosis and passive permeation of cellular membranes. The evidence suggests marginal uptake of C60 clusters is achieved through endocytosis/pinocytosis, and that passive diffusion into membranes provides a significant source of biologically-available nanomaterial. Computational modeling of both a single molecule and a small cluster of fullerenes predicts that low concentrations of fullerenes enter the membrane individually and produce limited perturbation; however, at higher concentrations the clusters in the membrane causes deformation of the membrane. These findings are bolstered by nuclear magnetic resonance (NMR) of model membranes that reveal deformation of the cell membrane upon exposure to high concentrations of fullerenes. The atomistic and NMR models fail to explain escape of the particle out of biological membranes, but are limited to idealized systems that do not completely recapitulate the complexity of cell membranes. The surprising contribution of passive modes of cellular entry provides new avenues for toxicological research that go beyond the pharmacological inhibition of bulk transport systems such as pinocytosis.There continues to be a significant increase in the number and complexity of hydrophobic nanomaterials that are engineered for a variety of commercial purposes making human exposure a significant health concern

  5. Fullerene-oxygen-iodine laser (FOIL): physical principles

    Science.gov (United States)

    Danilov, Oleg B.; Belousova, Inna M.; Mak, Artur A.; Belousov, Vlidilen P.; Grenishin, A. S.; Kiselev, V. M.; Krys'ko, A. V.; Murav'eva, T. D.; Ponomarev, Alexander N.; Sosnov, Eugene N.

    2004-09-01

    The paper considers the physical principles of developing the fullerene-oxygen-iodine laser (FOIL) with optical (sunlight in particular) pumping. Kinetic scheme of such a laser is considered. It is shown that the utmost efficiency of FOIL may exceed 40% of the energy, absorbed by fullerenes. Presented are the experimental results of singlet oxygen generation in liquid media (solutions and suspensions) and in solid-state structures, containing either fullerenes or fullerene-like nanoparticles (FNP). In experiment was shown the possibility of the singlet oxygen transfer to the gaseous phase by means of organizing of the solution (suspension) the boiling as well as of the gasodynamic wave of desorption from the solid-state structures, containing fullerenes or FNP. We present the preliminary experimental results of pulsed generation in optically pumped FOIL with the use of primary photodissociation of iodide for preparation of the atomic iodine in the generation zone. In the experiments on FOIL generation was implemented the principle of spectral separation of optical pumping.

  6. Fullerene data mining using bibliometrics and database tomography

    Science.gov (United States)

    Kostoff; Braun; Schubert; Toothman; Humenik

    2000-01-01

    Database tomography (DT) is a textual database analysis system consisting of two major components: (1) algorithms for extracting multiword phrase frequencies and phrase proximities (physical closeness of the multiword technical phrases) from any type of large textual database, to augment (2) interpretative capabilities of the expert human analyst. DT was used to derive technical intelligence from a fullerenes database derived from the Science Citation Index and the Engineering Compendex. Phrase frequency analysis by the technical domain experts provided the pervasive technical themes of the fullerenes database, and phrase proximity analysis provided the relationships among the pervasive technical themes. Bibliometric analysis of the fullerenes literature supplemented the DT results with author/journal/institution publication and citation data. Comparisons of fullerenes results with past analyses of similarly structured near-earth space, chemistry, hypersonic/supersonic flow, aircraft, and ship hydrodynamics databases are made. One important finding is that many of the normalized bibliometric distribution functions are extremely consistent across these diverse technical domains and could reasonably be expected to apply to broader chemical topics than fullerenes that span multiple structural classes. Finally, lessons learned about integrating the technical domain experts with the data mining tools are presented.

  7. Ultrafast charge separation in organic photovoltaics enhanced by charge delocalization and vibronically hot exciton dissociation

    CERN Document Server

    Tamura, Hiroyuki

    2013-01-01

    In organic photovoltaics, the mechanism by which free electrons and holes are generated overcoming the Coulomb attraction is a currently much debated topic. To elucidate this mechanism at a molecular level, we carried out a combined electronic structure and quantum dynamical analysis that captures the elementary events from the exciton dissociation to the free carrier generation at polymer/fullerene donor-acceptor heterojunctions. Our calculations show that experimentally observed efficient charge separations can be explained by a combination of two effects: First, the delocalization of charges which substantially reduces the Coulomb barrier, and second, the vibronically hot nature of the charge transfer state which promotes charge dissociation beyond the barrier. These effects facilitate an ultrafast charge separation even at low-band-offset heterojunctions.

  8. Nanobionics of Pharmacologically Active Derivatives of Fullerene C{sub 60}

    Energy Technology Data Exchange (ETDEWEB)

    Kotelnikova, R.A., E-mail: kotel@icp.ac.ru; Bogdanov, G.N.; Frog, E.C.; Kotelnikov, A.I.; Shtolko, V.N. [Institute of Problems of Chemical Physics RAS, Chernogolovka (Russian Federation); Romanova, V.S. [Institute of Organoelement Compounds RAS (Russian Federation); Andreev, S.M. [NRC Institute of Immunology (Russian Federation); Kushch, A.A; Fedorova, N.E.; Medzhidova, A.A. [Ivanovski Institute of Virology RAMS (Russian Federation); Miller, G.G. [Institute of Epidemiology and Microbiology RAMS (Russian Federation)

    2003-12-15

    The physical-chemical mechanisms of pharmacologic functioning of amino acid derivatives of fullerene C{sub 60} (ADF) have been studied. ADF were shown to penetrate through the lipid bilayer of liposomes without destruction of membrane integrity. ADF are able to carry bivalent metal ions through phospholipid bilayer owing to the formation of complexes. It was shown that stereoisomers of ADF selectively penetrate into phospholipid membranes. In contrast to D-isomers, L-isomers penetrate through the phosphatidylcholine membrane into liposome interior. Stereo-specific effect of ADF enantiomers was also observed in reaction of peroxidation of lipids. Besides that, ADF bring about a substantial increase in the catalytic activity of monoaminoxidases A and B. The directed intraprotein electron transfer was studied by creating a donor-acceptor pair in a water solution in the presence of ADF. To realize the intraprotein electron transfer, the model system was produced on the base of apomyoglobin by incorporating ADF (electron acceptor) into the heme pocket of protein instead of removed heme. It was established that the fullerene C{sub 60} and its derivatives did not produce specific anti-C{sub 60} antibodies, both IgG and IgE classes, while ADF themselves are efficient adjuvants, i.e. they increased the antibody response to poor antigens. Some ADF were found to inhibit the human immunodeficiency virus and human cytomegalovirus infection.

  9. Reduced working electrode based on fullerene C60 nanotubes-DNA: Characterization and application

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Xuzhi [Key Laboratory of Eco-Chemical Engineering of Ministry of Education, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Yellow Sea Fisheries Research Institute, Chinese Academy of Fishery Sciences, No. 106, Nanjing Road, Qingdao 266071, Shandong (China); Qu Yongtao [Key Laboratory of Rubber-plastics of Ministry of Education, School of Polymer Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Piao Guangzhe, E-mail: piao@qust.edu.cn [Key Laboratory of Rubber-plastics of Ministry of Education, School of Polymer Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Zhao Jian [Key Laboratory of Rubber-plastics of Ministry of Education, School of Polymer Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Jiao Kui, E-mail: Kjiao@qust.edu.cn [Key Laboratory of Eco-Chemical Engineering of Ministry of Education, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China)

    2010-11-25

    Fullerene C{sub 60} nanotubes (FNTs) were functionalized with sequence-specific single-stranded DNA to form a kind of complexes (FNT-DNA), which could be brought efficiently into aqueous solution. The dispersed FNT-DNA could form a layer of stable film on the surface of glassy carbon electrode (GCE). In the Britton-Robinson buffer solution of pH {>=}7.0, the FNT-DNA modified on the GCE presented an irreversible two-step six-electron transfer reduction reaction. The reduced modified electrode had a rather wide electrochemical window and could be used as a functionalized working electrode, which showed a good enrichment capability towards the positively charged molecules. The selective detection of dopamine in the presence of a high amount of ascorbic acid could be realized at the reduced FNT-DNA-modified GCE in neutral buffer solution.

  10. N-block separable random phase approximation: dipole oscillations in sodium clusters and {C}_{60} fullerene

    Science.gov (United States)

    Palade, D. I.; Baran, V.

    2016-09-01

    We generalize the schematic model based on the Random Phase Approximation (RPA) with separable interaction, to a collection of subspaces of ph excitations which interact with different coupling constants. This ansatz notably lowers the numerical effort involved, by reducing the RPA eigenvalue problem to a finite small dimensional system of equation. We derive the associated dispersion relation and the normalization condition for the newly defined unknowns of the system. In contrast with the standard separable approach, the present formalism is able to describe more than one collective excitation even in the degenerate limit, giving also access to the nature of the resonance. The theoretical framework is tested investigating the dipolar oscillations in various neutral and singly charged sodium clusters and C 60 fullerene with results in good agreement with full RPA calculations and experimental data. It is proven that the 40 eV resonance present in photoabsorption spectra of C 60 is a localized surface plasmon.

  11. N-Block Separable Random Phase Approximation: Application to metal clusters and C60 fullerene

    CERN Document Server

    Palade, D I

    2015-01-01

    Starting from the Random Phase Approximation (RPA), we generalize the schematic model of separable interaction defning subspaces of ph excitations with different coupling constants between them. This ansatz simplifies the RPA eigenvalue problem to a finite, small dimensional system of equations which reduces the numerical effort. Associated dispersion relation and the normalization condition are derived for the new defined unknowns of the system. In contrast with the standard separable approach, the present formalism is able to describe more than one collective excitation even in the degenerate limit. The theoretical framework is applied to neutral and singly charged spherical sodium clusters and C60 fullerene with results in good agreement with full RPA calculations and experimental data.

  12. Liposome Formulation of Fullerene-Based Molecular Diagnostic and Therapeutic Agents

    Directory of Open Access Journals (Sweden)

    Zhiguo Zhou

    2013-10-01

    Full Text Available Fullerene medicine is a new but rapidly growing research subject. Fullerene has a number of desired structural, physical and chemical properties to be adapted for biological use including antioxidants, anti-aging, anti-inflammation, photodynamic therapy, drug delivery, and magnetic resonance imaging contrast agents. Chemical functionalization of fullerenes has led to several interesting compounds with very promising preclinical efficacy, pharmacokinetic and safety data. However, there is no clinical evaluation or human use except in fullerene-based cosmetic products for human skincare. This article summarizes recent advances in liposome formulation of fullerenes for the use in therapeutics and molecular imaging.

  13. Ih Symmetrical (4,6)-Fullerenes and Their Local Ring Aromaticity: A First Principle Study

    OpenAIRE

    Jing Wang; Haigang Lu; Yingfang Fan; Si-Dian Li

    2015-01-01

    As the natural extension of carbon fullerene, a series of Ih symmetrical (4,6)-fullerenes were constructed and investigated using first principle methods. These Ih (4,6)-fullerenes consist of many four- and six-membered rings and are classified into two types: (1) those with isolated four- and six-membered rings and (2) those with connected four- and/or six-membered rings. Though these (4,6)-fullerenes are less stable than Ih C60 and C240 (5,6)-fullerene, it is possible to synthesize them fro...

  14. From the "Brazuca" ball to Octahedral Fullerenes: Their Construction and Classification

    CERN Document Server

    Fan, Yuan-Jia

    2014-01-01

    A simple cut-and-patch method is presented for the construction and classification for fullerenes belonging to the octahedral point groups, $O$ or $O_h$. In order to satisfy the symmetry requirement of the octahedral group, suitable numbers of four- and eight-member rings, in addition to the hexagons and pentagons, have to be introduced. An index consisting of four integers is introduced to specify an octahedral fullerenes. However, to specify an octahedral fullerene uniquely, we also found certain symmetry rules for these indices. Based on the transformation properties under the symmetry operations that an octahedral fullerene belongs to, we can identify four structural types of octahedral fullerenes.

  15. Synergistic Effect of Fullerene-Capped Gold Nanoparticles on Graphene Electrochemical Supercapacitors

    OpenAIRE

    Yong, Virginia; Hahn, H. Thomas

    2013-01-01

    We report the synthesis of graphene/fullerene-capped gold nanoparticle nanocomposite film which was used to construct supercapacitor electrodes. The fullerene-based self-assembled monolayers on gold nanoparticles (AuNPs) were attained via the fullerene(C60)-gold interaction. The fullerene-capped AuNPs effectively separated the graphene sheets preventing aggregation. A synergistic effect was observed—the specific capacitance of graphene/fullerene-capped AuNP electrode is 197 F/g, which is high...

  16. Tuning the Properties of Polymer Bulk Heterojunction Solar Cells by Adjusting Fullerene Size to Control Intercalation

    KAUST Repository

    Cates, Nichole C.

    2009-12-09

    We demonstrate that intercalation of fullerene derivatives between the side chains of conjugated polymers can be controlled by adjusting the fullerene size and compare the properties of intercalated and nonintercalated poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene (pBTTT):fullerene blends. The intercalated blends, which exhibit optimal solar-cell performance at 1:4 polymer:fullerene by weight, have better photoluminescence quenching and lower absorption than the nonintercalated blends, which optimize at 1:1. Understanding how intercalation affects performance will enable more effective design of polymer:fullerene solar cells. © 2009 American Chemical Society.

  17. Fullerene-rare gas mixed plasmas in an electron cyclotron resonance ion source

    CERN Document Server

    Asaji, T; Uchida, T; Minezaki, H; Ishihara, S; Racz, R; Muramatsu, M; Biri, S; Kitagawa, A; Kato, Y; Yoshida, Y

    2015-01-01

    A synthesis technology of endohedral fullerenes such as Fe@C60 has developed with an electron cyclotron resonance (ECR) ion source. The production of N@C60 was reported. However, the yield was quite low, since most fullerene molecules were broken in the ECR plasma. We have adopted gas-mixing techniques in order to cool the plasma and then reduce fullerene dissociation. Mass spectra of ion beams extracted from fullerene-He, Ar or Xe mixed plasmas were observed with a Faraday cup. From the results, the He gas mixing technique is effective against fullerene destruction.

  18. Physicochemical insights in supramolecular interaction of fullerenes C60 and C70 with a monoporphyrin in presence of silver nanoparticles

    Science.gov (United States)

    Mitra, Ratul; Chattopadhyay, Subrata; Bhattacharya, Sumanta

    2012-04-01

    The present article reports for the first time on supramolecular interaction between fullerenes (C60 and C70) and a designed monoporphyrin in solution, e.g., 5,10,15,20-tetrakis(4-methoxyphenyl)-21H,23H-porphine (1), in absence and presence of silver nanoparticles (AgNp) having varying diameter of range between 3 and 7 nm. Ground state electronic interaction between fullerenes and 1 has been evidenced from the observation of decrease in the intensity of the Soret absorption band of 1 after complexation with C60 and C70 in toluene. However, in presence of AgNp, extent of decrease in the intensity of Soret absorption band of 1 has been reduced following its complexation with fullerenes. Steady state fluorescence measurements establish quenching of fluorescence of 1 by fullerenes and the most interesting aspect of the present work is that quenching efficiencies of C60 and C70 are found to be less in presence of AgNp. Steady state fluorescence measurement reveals reduction in the binding constant (K) value for both C60-1 (K-1=2355 dm mol) and C70-1 complex (K-1=11,980 dm mol) in presence of AgNp (K-1=340   and   K-1=7380 dm mol). The new physical insight of the present studies is that 1 acts as excellent discriminator molecule for C70 in presence of AgNp as selectivity in binding is estimated to be ˜21.7 in presence of AgNp compared to the situation when fullerene-1 mixture does not contain any AgNp (i.e., selectivity in binding = ˜5.0) in solution. Time-resolved fluorescence studies establish the role of static quenching mechanism behind fluorescence decay of 1 by fullerenes in absence and presence of AgNp. Magnitude of rate constant for charge separation and quantum yield of charge separation indicates that C70-1 complex exhibits highest value of such parameters in absence of AgNp compared to the situation when AgNp particles are present in the composite mixture of C70 and 1. Dynamic light scattering (DLS) measurement reveals while particle size of AgNp is

  19. ANALYTICAL EXPRESSIONS FOR BULK MODULI AND FREQUENCIES OF VOLUMETRICAL VIBRATIONS OF FULLERENES C20 AND C60

    OpenAIRE

    KOVALEV OLEG; KUZKIN VITALY

    2011-01-01

    In the present paper simple analytical expressions connecting bulk moduli for fullerenes C20 and C60 with stiffness of interatomic bond and geometrical characteristics of the fullerenes are derived. Ambiguities related to definition of the bulk modulus are discussed. Nonlinear volumetrical deformation of the fullerenes is considered. Pressure-volume dependence for the fullerenes under volumetrical compression are derived. Simple analytical model for volumetrical vibrations of the fullerenes i...

  20. Dissociation of water on Ti-decorated fullerene clusters

    Directory of Open Access Journals (Sweden)

    Yongqiang Xue

    2012-03-01

    Full Text Available Spin-polarized density functional theory calculations have been applied to investigate water dissociation catalyzed by Ti adsorbed on icosahedral C20, C60 and C80 fullerene clusters, in order to elucidate the roles that cluster size and Ti-cluster interaction play in the proposed hydrogen generation reaction. We find that two water molecules can be dissociated consecutively by overcoming moderate energy barriers of a few tenths of eV, accompanied by the generation of a H2 molecule for all three clusters. Depending on the cluster size, the fullerene clusters may participate directly in water splitting or indirectly through stereochemical control of the Ti adsorption sites. Our results suggest that fullerene clusters can serve as a flexible platform for rational design of nanostructured catalysts for hydrogen generation.

  1. Large Enhancement of Optical Nonlinearities of New Organophosphorus Fullerene Derivative

    Institute of Scientific and Technical Information of China (English)

    刘智波; 田建国; 臧维平; 周文远; 张春平; 郑建禺; 周迎春; 徐华

    2003-01-01

    Optical nonlinearities of new organophosphorus fullerene derivative were determined by the Z-scan method with a pulsed Q-switch Nd:YAG laser at 532nm. The experimental results demonstrated that the derivative has much larger excited-states nonlinear absorption and nonlinear refraction than C60. A five-level model was utilized to fit the experimental data, and a good agreement is reached. Some parameters such as excited-state absorption cross and refraction cross were obtained. To our knowledge, the excited-state cross section of new organophosphorus fullerene derivative and its effective ratio to the ground-state cross section are the largest values among the fullerene derivatives reported to date.

  2. The formation of cosmic fullerenes from arophatic clusters

    CERN Document Server

    Micelotta, Elisabetta R; Cami, Jan; Peeters, Els; Bernard-Salas, Jeronimo; Fanchini, Giovanni

    2012-01-01

    Fullerenes have recently been identified in space and they may play a significant role in the gas and dust budget of various astrophysical objects including planetary nebulae (PNe), reflection nebulae (RNe) and H II regions. The tenuous nature of the gas in these environments precludes the formation of fullerene materials following known vaporization or combustion synthesis routes even on astronomical timescales. We have studied the processing of hydrogenated amorphous carbon (a-C:H or HAC) nano-particles and their specific derivative structures, which we name "arophatics", in the circumstellar environments of young, carbon-rich PNe. We find that UV-irradiation of such particles can result in the formation of fullerenes, consistent with the known physical conditions in PNe and with available timescales.

  3. The Formation of Cosmic Fullerenes from Arophatic Clusters

    Science.gov (United States)

    Micelotta, Elisabetta R.; Jones, Anthony P.; Cami, Jan; Peeters, Els; Bernard-Salas, Jeronimo; Fanchini, Giovanni

    2012-12-01

    Fullerenes have recently been identified in space and they may play a significant role in the gas and dust budget of various astrophysical objects including planetary nebulae (PNe), reflection nebulae, and H II regions. The tenuous nature of the gas in these environments precludes the formation of fullerene materials following known vaporization or combustion synthesis routes even on astronomical timescales. We have studied the processing of hydrogenated amorphous carbon (a-C:H or HAC) nanoparticles and their specific derivative structures, which we name "arophatics," in the circumstellar environments of young, carbon-rich PNe. We find that UV-irradiation of such particles can result in the formation of fullerenes, consistent with the known physical conditions in PNe and with available timescales.

  4. Toxicity of polyhydroxylated fullerene to mitochondria.

    Science.gov (United States)

    Yang, Li-Yun; Gao, Jia-Ling; Gao, Tian; Dong, Ping; Ma, Long; Jiang, Feng-Lei; Liu, Yi

    2016-01-15

    Mitochondrial dysfunction is considered as a crucial mechanism of nanomaterial toxicity. Herein, we investigated the effects of polyhydroxylated fullerene (C60(OH)44, fullerenol), a model carbon-based nanomaterial with high water solubility, on isolated mitochondria. Our study demonstrated that fullerenol enhanced the permeabilization of mitochondrial inner membrane to H(+) and K(+) and induced mitochondrial permeability transition (MPT). The fullerenol-induced swelling was dose-dependent and could be effectively inhibited by MPT inhibitors such as cyclosporin A (CsA), adenosine diphosphate (ADP), ruthenium red (RR) and ethylenediaminetetraacetic acid (EDTA). After treating the mitochondria with fullerenol, the mitochondrial membrane potential (MMP) was found collapsed in a concentration-independent manner. The fluorescence anisotropy of hematoporphyrin (HP) changed significantly with the addition of fullerenol, while that of 1,6-diphenyl-hexatriene (DPH) changed slightly. Moreover, a decrease of respiration state 3 and increase of respiration state 4 were observed when mitochondria were energized with complex II substrate succinate. The results of transmission electron microscopy (TEM) provided direct evidence that fullerenol damaged the mitochondrial ultrastructure. The investigations can provide comprehensive information to elucidate the possible toxic mechanism of fullerenols at subcellular level. PMID:26348144

  5. Intratracheal administration of fullerene nanoparticles activates splenic CD11b{sup +} cells

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Ning [Department of Immunology and Parasitology, School of Medicine, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan); Kunugita, Naoki [Department of Environmental Health, National Institute of Public Health, 2-3-6, Minami, Wako 351-0197 (Japan); Ichinose, Takamichi [Department of Health Sciences, Oita University of Nursing and Health Sciences, Oita 870-1201 (Japan); Song, Yuan [Department of Immunology and Parasitology, School of Medicine, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan); Yokoyama, Mitsuru [Bio-information Research Center, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan); Arashidani, Keiichi [School of Health Sciences, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan); Yoshida, Yasuhiro, E-mail: freude@med.uoeh-u.ac.jp [Department of Immunology and Parasitology, School of Medicine, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan)

    2011-10-30

    Highlights: {yields} Fullerene administration triggered splenic responses. {yields} Splenic responses occurred at different time-points than in the lung tissue. {yields} CD11b{sup +} cells were demonstrated to function as responder cells to fullerene. - Abstract: Fullerene nanoparticles ('Fullerenes'), which are now widely used materials in daily life, have been demonstrated to induce elevated pulmonary inflammation in several animal models; however, the effects of fullerenes on the immune system are not fully understood. In the present study, mice received fullerenes intratracheally and were sacrificed at days 1, 6 and 42. Mice that received fullerenes exhibited increased proliferation of splenocytes and increased splenic production of IL-2 and TNF-{alpha}. Changes in the spleen in response to fullerene treatment occurred at different time-points than in the lung tissue. Furthermore, fullerenes induced CDK2 expression and activated NF-{kappa}B and NFAT in splenocytes at 6 days post-administration. Finally, CD11b{sup +} cells were demonstrated to function as responder cells to fullerene administration in the splenic inflammatory process. Taken together, in addition to the effects on pulmonary responses, fullerenes also modulate the immune system.

  6. Intratracheal administration of fullerene nanoparticles activates splenic CD11b+ cells

    International Nuclear Information System (INIS)

    Highlights: → Fullerene administration triggered splenic responses. → Splenic responses occurred at different time-points than in the lung tissue. → CD11b+ cells were demonstrated to function as responder cells to fullerene. - Abstract: Fullerene nanoparticles ('Fullerenes'), which are now widely used materials in daily life, have been demonstrated to induce elevated pulmonary inflammation in several animal models; however, the effects of fullerenes on the immune system are not fully understood. In the present study, mice received fullerenes intratracheally and were sacrificed at days 1, 6 and 42. Mice that received fullerenes exhibited increased proliferation of splenocytes and increased splenic production of IL-2 and TNF-α. Changes in the spleen in response to fullerene treatment occurred at different time-points than in the lung tissue. Furthermore, fullerenes induced CDK2 expression and activated NF-κB and NFAT in splenocytes at 6 days post-administration. Finally, CD11b+ cells were demonstrated to function as responder cells to fullerene administration in the splenic inflammatory process. Taken together, in addition to the effects on pulmonary responses, fullerenes also modulate the immune system.

  7. Fullerene and nanotube growth: new insights using first principles and molecular dynamics.

    Science.gov (United States)

    Cruz-Silva, Rodolfo; Araki, Takumi; Hayashi, Takuya; Terrones, Humberto; Terrones, Mauricio; Endo, Morinobu

    2016-09-13

    Shortly after the discovery of fullerenes, many researchers pointed out that carbon nanotubes could be considered as elongated fullerenes. However, the detailed formation mechanism for both structures has been a topic of debate for several years, and consequently it has been difficult to draw a clear connection between the two systems. While the synthesis conditions appear to be different for both fullerenes and nanotubes, here, we demonstrate that it is highly likely that, at an initial growth stage, single-walled carbon nanotubes begin to grow from a hemisphere-like fullerene cap. More importantly, by analysing the minimum-energy path, it is shown that the insertion of C2 fragments drives the transformation of this fullerene cap into an elongated structure that leads to the formation of very short carbon nanotubes.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'. PMID:27501974

  8. Thermal management technology for hydrogen storage: Fullerene option

    Energy Technology Data Exchange (ETDEWEB)

    Wang, J.C.; Chen, F.C.; Murphy, R.W. [Oak Ridge National Lab., TN (United States)

    1996-10-01

    Fullerenes are selected as the first option for investigating advanced thermal management technologies for hydrogen storage because of their potentially high volumetric and gravimetric densities. Experimental results indicate that about 6 wt% of hydrogen (corresponding to C{sub 60}H{sub 48}) can be added to and taken out of fullerenes. A model assuming thermally activated hydrogenation and dehydrogenation processes was developed to explain the experimental findings. The activation energies were estimated to be 100 and 160 kJ/mole (1.0 and 1.6 eV/H{sub 2}) for the hydrogenation and dehydrogenation processes, respectively. The difference is interpreted as the heat released during hydrogenation. There are indications that the activation energies and the heat of hydrogenation can be modified by the use of catalysts. Preliminary hydrogen storage simulations for a conceptually simple device were performed. A 1-m long hollow metal cylinder with an inner diameter of 0.02 m was assumed to be filled with fullerene powders. The results indicate that the thermal diffusivity of the fullerenes controls the hydrogenation and dehydrogenation rates. The rates can be significantly modified by changing the thermal diffusivity of the material inside the cylinder, e.g., by incorporating a metal mesh. Results from the simulation suggest that thermal management is essential for efficient hydrogen storage devices using fullerenes. While the preliminary models developed in this study explain some of the observation, more controlled experiments, rigorous model development, and physical property determinations are needed for the development of practical hydrogen storage devices. The use of catalysts to optimize the hydrogen storage characteristics of fullerenes also needs to be pursued. Future cooperative work between Oak Ridge National Laboratory (ORNL) and Material & Electrochemical Research Corporation (MER) is planned to address these needs.

  9. Fullerenes: A New Carrier Phase for Noble Gases in Meteorites

    Science.gov (United States)

    Becker, Luann

    2004-01-01

    The major focus of our research effort has been to measure the noble gases encapsulated within fullerenes, a new carbon carrier phase and compare it to the myriad of components found in the bulk meteorite acid residues. We have concentrated on the carbonaceous chondrites (Allende, Murchison and Tagish Lake) since they have abundant noble gases, typically with a planetary signature that dominates the stepped-release of the meteorite bulk acid residue. They also contain an extractable fullerene component that can be isolated and purified from the same bulk material.

  10. Exciton and Hole-Transfer Dynamics in Polymer: Fullerene Blends

    Directory of Open Access Journals (Sweden)

    van Loosdrecht P. H. M.

    2013-03-01

    Full Text Available Ultrafast hole transfer dynamics from fullerene derivative to polymer in bulk heterojunction blends are studied with visible-pump - IR-probe spectroscopy. The hole transfer process is found to occur in 50/300 fs next to the interface, while a longer 15-ps time is attributed to exciton diffusion towards interface in PC71BM domains. High polaron generation efficiency in P3HT blends indicates excellent intercalation between the polymer and the fullerene even at highest PC71BM concentration thereby yielding a valuable information on the blend morphology.

  11. Properties of Natural Rubber-Based Composites Containing Fullerene

    Directory of Open Access Journals (Sweden)

    Omar A. Al-Hartomy

    2012-01-01

    Full Text Available In this study the influence of fullerenes in concentrations from 0.5 to 1.5 phr on both the vulcanization characteristics of the compounds and physicomechanical, dynamic, and dielectric properties and thermal aging resistance of nanocomposites on the basis of natural rubber has been investigated. The effect of the filler dispersion in the elastomeric matrix has been also investigated. Neat fullerene and the composites comprising it have been studied and characterized by scanning electron microscopy (SEM and transmission electron microscopy (TEM.

  12. Mechanochemical Reactions of Fullerenes under High-Speed Vibration Milling

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ting-Hu; LI Yu-Jin; PENG Ru-Fang; LU Ping; CHEN Zhong-Xiu; WANG Guan-Wu

    2003-01-01

    @@ Since a novel technique called "high-speed vibration milling" (HSVM) was first applied to the Reformatskytype reaction of C60 in 1996, [1] this technique has been applied to various kinds of fullerene functionalizations including the preparation of C120. [2] Most recent reactions of fullerenes under HSVM conditions will be discussed: (1)reaction of C60/C70 with N-alkylglycines and aldehydes (Scheme 1); (2) reaction of C60 with active methylene compounds in the presence of bases (Scheme 2); (3) reaction of C6o with diazo compounds (Scheme 3); (4) reaction of C6o with anthracene derivatives (Scheme 4).

  13. Thermal conductivity of hard carbon prepared from C 60 fulleren

    Science.gov (United States)

    Smontara, A.; Biljaković, K.; Starešinić, D.; Pajić, D.; Kozlov, M. E.; Hirabayashi, M.; Tokumoto, M.; Ihara, H.

    1996-02-01

    We report measurements of thermal conductivity in 30-350 K range of hard fullerene-based carbon. The material has been prepared from C 60 fullerene under pressure and has an unusual combination of large hardness and relatively high electrical conductivity. Its thermal conductivity is about 5.5 W/mk at room temperature and decreases almost linearly in the investigated temperature range. The data obtained bear resemblance to the thermal properties of amorphous materials. It is consistent with the structural investigation that allows one to suggest the existence of short-range crystalline order in this transformed substance.

  14. Multiscale simulation of water flow past a C540 fullerene

    DEFF Research Database (Denmark)

    Walther, Jens Honore; Praprotnik, Matej; Kotsalis, Evangelos M.;

    2012-01-01

    We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice–Boltzmann (LB) description for the Nav......We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice–Boltzmann (LB) description...

  15. Restriction of the EEG appointment and release from network charges for producing companies; Begrenzung der EEG-Umlage und Stromnetzentgeltbefreiung fuer Unternehmen des produzierenden Gewerbes

    Energy Technology Data Exchange (ETDEWEB)

    Poppe, Antonia K. [Sozietaet Dr. Poppe, Stoecker, Terme - Rechtsanwaelte, Kassel (Germany)

    2012-02-15

    Due to the decided phase out of nuclear power and due to the increased efforts in the field of safe energy supply, at 1st January 2012 important regulations of the Renewable Energy Law (EEG) as well as the Ordinance on Charges for Access to Electricity Supply Grids (StromNEV) were amended. The changes significantly affect the price of electricity and are particularly important for medium-sized companies and the industries with an enhanced power consumption. The companies involved should recognize that the financial consequences of the modifications in legislation have to be recognized as early as possible and to be considered in their corporate risk management. The author of the contribution under consideration reports on the modification of the boundary conditions of the EEG apportionment considering paragraph 40 and paragraph 41 EEG 2012 as well as on the modification of the definition of the grid fees in accordance with paragraph 19 section 2 StromNEV.

  16. Metallofullerene and fullerene formation from condensing carbon gas under conditions of stellar outflows and implication to stardust.

    Science.gov (United States)

    Dunk, Paul W; Adjizian, Jean-Joseph; Kaiser, Nathan K; Quinn, John P; Blakney, Gregory T; Ewels, Christopher P; Marshall, Alan G; Kroto, Harold W

    2013-11-01

    Carbonaceous presolar grains of supernovae origin have long been isolated and are determined to be the carrier of anomalous (22)Ne in ancient meteorites. That exotic (22)Ne is, in fact, the decay isotope of relatively short-lived (22)Na formed by explosive nucleosynthesis, and therefore, a selective and rapid Na physical trapping mechanism must take place during carbon condensation in supernova ejecta. Elucidation of the processes that trap Na and produce large carbon molecules should yield insight into carbon stardust enrichment and formation. Herein, we demonstrate that Na effectively nucleates formation of Na@C60 and other metallofullerenes during carbon condensation under highly energetic conditions in oxygen- and hydrogen-rich environments. Thus, fundamental carbon chemistry that leads to trapping of Na is revealed, and should be directly applicable to gas-phase chemistry involving stellar environments, such as supernova ejecta. The results indicate that, in addition to empty fullerenes, metallofullerenes should be constituents of stellar/circumstellar and interstellar space. In addition, gas-phase reactions of fullerenes with polycyclic aromatic hydrocarbons are investigated to probe "build-up" and formation of carbon stardust, and provide insight into fullerene astrochemistry.

  17. The influence hydrogen atom addition has on charge switching during motion of the metal atom in endohedral Ca@C60H4 isomers.

    Science.gov (United States)

    Raggi, G; Besley, E; Stace, A J

    2016-09-13

    Density functional theory has been applied in a study of charge transfer between an endohedral calcium atom and the fullerene cage in Ca@C60H4 and [Ca@C60H4](+) isomers. Previous calculations on Ca@C60 have shown that the motion of calcium within a fullerene is accompanied by large changes in electron density on the carbon cage. Based on this observation, it has been proposed that a tethered endohedral fullerene might form the bases of a nanoswitch. Through the addition of hydrogen atoms to one hemisphere of the cage it is shown that, when compared with Ca@C60, asymmetric and significantly reduced energy barriers can be generated with respect to motion of the calcium atom. It is proposed that hydrogen atom addition to a fullerene might offer a route for creating a bi-stable nanoswitch that can be fine-tuned through the selection of an appropriate isomer and number of atoms attached to the cage of an endohedral fullerene.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'.

  18. The influence hydrogen atom addition has on charge switching during motion of the metal atom in endohedral Ca@C60H4 isomers.

    Science.gov (United States)

    Raggi, G; Besley, E; Stace, A J

    2016-09-13

    Density functional theory has been applied in a study of charge transfer between an endohedral calcium atom and the fullerene cage in Ca@C60H4 and [Ca@C60H4](+) isomers. Previous calculations on Ca@C60 have shown that the motion of calcium within a fullerene is accompanied by large changes in electron density on the carbon cage. Based on this observation, it has been proposed that a tethered endohedral fullerene might form the bases of a nanoswitch. Through the addition of hydrogen atoms to one hemisphere of the cage it is shown that, when compared with Ca@C60, asymmetric and significantly reduced energy barriers can be generated with respect to motion of the calcium atom. It is proposed that hydrogen atom addition to a fullerene might offer a route for creating a bi-stable nanoswitch that can be fine-tuned through the selection of an appropriate isomer and number of atoms attached to the cage of an endohedral fullerene.This article is part of the themed issue 'Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene'. PMID:27501967

  19. Penning-trap Q-value determination of the Ga-71(v, e(-))Ge-71 reaction using threshold charge breeding of on-line produced isotopes

    NARCIS (Netherlands)

    Frekers, D.; Simon, M.C.; Andreoiu, C.; Bale, J. C.; Brodeur, M.; Brunner, T.; Chaudhuri, A.; Chowdhury, U.; Lopez-Urrutia, J. R. Crespo; Delheij, P.; Ejiri, H.; Ettenauer, S.; Gallant, A. T.; Gavrin, V.; Grossheim, A.; Harakeh, M. N.; Jang, F.; Kwiatkowski, A. A.; Lassen, J.; Lennarz, A.; Luichtl, M.; Ma, T.; Macdonald, T. D.; Mane, E.; Robertson, D.; Schultz, B. E.; Simon, V. V.; Teigelhoefer, A.; Dilling, J.

    2013-01-01

    We present a first direct Q-value measurement of the Ga-71(v, e(-))Ge-71 reaction using the TITAN mass-measurement facility at ISAC/TRIUMF. The measurements were performed in a Penning trap on neon-like Ga-71(21+) and Ge-71(22+) using isobar separation of the on-line produced mother and daughter nuc

  20. A SEARCH FOR NEAR INFRARED BANDS OF THE FULLERENE CATION C{sub 60}{sup +} IN THE PROTOPLANETARY NEBULA IRAS 01005+7910

    Energy Technology Data Exchange (ETDEWEB)

    Iglesias-Groth, S.; Esposito, M., E-mail: sigroth@iac.es [Instituto de Astrofísica de Canarias, C/Via Láctea s/n, E-38200 La Laguna (Spain)

    2013-10-10

    IRAS 01005+7910 is a carbon-rich protoplanetary nebula with a recently reported detection of mid-IR vibrational transitions of the fullerene C{sub 60} by Zhang and Kwok. We present new high spectral resolution (R ∼ 57, 000) observations of this object obtained at the 3.6 m Telescopio Nazionale Galileo, showing the presence of two absorption bands at 9577 and 9632 Å which are consistent with laboratory measurements of the C{sub 60}{sup +} cation. If these two bands were produced by C{sub 60}{sup +} in the material surrounding the central post-asymptotic giant branch star, we estimate that ∼1% of carbon could be trapped in this ionized form of fullerenes which would be more abundant than the neutral species in this protoplanetary nebulae. The central star with an effective temperature of T ≥ 20, 000 K can provide the ionizing photons required. These observations bring further evidence for the presence of fullerenes in protoplanetary nebulae and suggest that a significant production takes place in this late stage of stellar evolution. Mid-IR bands of C{sub 60}{sup +} could be present in the 7-20 μm spectrum of IRAS 01005+7910 and are also likely to be detected in the spectra of planetary nebulae. High-resolution spectroscopy will be required for a reliable determination of the excitation temperatures and the relative abundance of neutral and ionized fullerenes in these objects.

  1. Photophysical properties of fullerene in the presence of high excitation densities; Photophysikalische Eigenschaften von Fulleren bei hohen Anregungsdichten

    Energy Technology Data Exchange (ETDEWEB)

    Kaiser, M.

    1993-07-09

    The study`s main objective was the production and characterization of rather closely defined solid-state fullerenes as well as the examination of their photoconductivity and luminescence in the presence of low and high excitation densities. The study was so designed as to throw further light on the changes to be observed for photophysical properties, when the excitation densities are high. (orig.) [Deutsch] Gegenstand dieser Arbeit ist im wesentlichen die Herstellung und Charakterisierung von moeglichst gut definierten Fulleren-Festkoerpern sowie die Untersuchung der Photoleitung und der Lumineszenz bei niedrigen und hohen Anregungsdichten. Ziel ist es, die Veraenderungen der photophysikalischen Eigenschaften bei hohen Anregungsdichten zu verstehen. (orig.)

  2. A simple theory of molecular organization in fullerene-containing liquid crystals

    Science.gov (United States)

    Peroukidis, S. D.; Vanakaras, A. G.; Photinos, D. J.

    2005-10-01

    Systematic efforts to synthesize fullerene-containing liquid crystals have produced a variety of successful model compounds. We present a simple molecular theory, based on the interconverting shape approach [Vanakaras and Photinos, J. Mater. Chem. 15, 2002 (2005)], that relates the self-organization observed in these systems to their molecular structure. The interactions are modeled by dividing each molecule into a number of submolecular blocks to which specific interactions are assigned. Three types of blocks are introduced, corresponding to fullerene units, mesogenic units, and nonmesogenic linkage units. The blocks are constrained to move on a cubic three-dimensional lattice and molecular flexibility is allowed by retaining a number of representative conformations within the block representation of the molecule. Calculations are presented for a variety of molecular architectures including twin mesogenic branch monoadducts of C60, twin dendromesogenic branch monoadducts, and conical (badminton shuttlecock) multiadducts of C60. The dependence of the phase diagrams on the interaction parameters is explored. In spite of its many simplifications and the minimal molecular modeling used (three types of chemically distinct submolecular blocks with only repulsive interactions), the theory accounts remarkably well for the phase behavior of these systems.

  3. Growth of thin fullerene films by Matrix Assisted Pulsed Laser Evaporation

    DEFF Research Database (Denmark)

    Canulescu, Stela; Schou, Jørgen; Fæster, Søren

    of the matrix material, anisole, with a concentration of 0.67 wt% C60. At laser fluences below 1.5 J/cm2, a dominant fraction of the film molecules are C60 transferred to the substrate without any fragmentation. High-resolution SEM images of MAPLE deposited films reveal large circular features on the surface...... bound carbon molecule with a well-defined mass (M = 720 amu) and therefore a good, organic test molecule. C60 fullerene thin films of average thickness of more than 100 nm was produced in vacuum by matrix-assisted pulsed laser evaporation (MAPLE). A 355 nm Nd:YAG laser was di-rected onto a frozen target...... with high amount of material concentrated at edges. These features, observed over a wide range of laser flu-ences, are caused by ejection of large matrix-fullerene liquid droplets into the gas-phase and subsequent deposition. At similar laser energies, but using an unfocused laser beam, MAPLE favours...

  4. Encapsulation of Formaldehyde and Hydrogen Cyanide in an Open-Cage Fullerene.

    Science.gov (United States)

    Chen, Chi-Shian; Kuo, Ting-Shen; Yeh, Wen-Yann

    2016-06-20

    Reaction of C63 NO2 (Ph)2 (Py) (1) with o-phenylenediamine and pyridine produces a mixture of C63 H4 NO2 (Ph)2 (Py)(N2 C6 H4 ) (2) and H2 O@2. Compound 2 is a new open-cage fullerene containing a 20-membered heterocyclic orifice, which has been fully characterized by NMR spectroscopy, high-resolution mass spectrometry, and X-ray crystallography. The elliptical orifice of 2 spans 7.45 Å along the major axis and 5.62 Å along the minor axis, which is large enough to trap water and small organic molecules. Thus, heating a mixture of 2 and H2 O@2 with hydrogen cyanide and formaldehyde in chlorobenzene affords HCN@2 and H2 CO@2, respectively. The (1) H NMR spectroscopy reveals substantial upfield shifts for the endohedral species (δ=-1.30 to -11.30 ppm), owing to the strong shielding effect of the fullerene cage. PMID:27123778

  5. Anisometric C60 Fullerene Colloids Assisted by Structure-Directing Agent

    Energy Technology Data Exchange (ETDEWEB)

    Penterman, S. [Cornell Univ., Ithaca, NY (United States); Liddell Watson, Chekesha M. [Cornell Univ., Ithaca, NY (United States); Escobedo, Fernando A. [Cornell Univ., Ithaca, NY (United States); Cohen, Itai [Cornell Univ., Ithaca, NY (United States)

    2016-08-05

    Colloidal synthesis and assembly provide low cost, large area routes to mesoscale structures. In particular, shape-anisotropic particles may form crystalline, plastic crystalline, complex liquid crystalline and glassy phases. Arrangements in each order class have been used to generate photonic materials. For example, large photonic band gaps have been found for photonic crystals, hyperuniform photonic glasses, and also for plastic crystals at sufficient refractive index contrast. The latter structures support highly isotropic bandgaps that are desirable for free-form waveguides and LED out-coupling. Photonic glasses with optical gain lead to self-tuned lasing by the superposition of multiply scattered light. Typically, extrinsic media such as organic dyes, rare earths, lanthanides and quantum dots are used to impart optical gain in photonic solids. The present work advances fullerene microcrystals as a new materials platform for ‘active’ light emitting in colloid-based photonic crystals. Fullerenes support singlet excited states that recombine to produce a characteristic red photoluminescence. C60 also has a high refractive index (n ~ 2.2) and transparency (> 560 nm)9 so that inverse structures are not required.

  6. Synthesis and properties of polydiphenylsilane/fullerene C{sub 60} nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Sacarescu, Liviu, E-mail: livius@icmpp.ro [Institute of Macromolecular Chemistry “Petru Poni” of the Romanian Academy, Aleea Grigore Ghica Voda 41A, RO 700487 Iasi (Romania); Kostromin, Sergei; Bronnikov, Sergei [Institute of Macromolecular Compounds of the Russian Academy of Sciences, V. O. Bolshoi Pr. 31, 199004 St. Petersburg (Russian Federation)

    2015-01-15

    The efficiency of bulk heterojunction solar cells based on polysilane/C{sub 60} nanocomposites could be improved by delaying the radiative recombination of the charge carriers using aromatic side groups as mediators. This paper presents a study of such nanocomposites prepared with a soluble polydiphenylsilane, a polymer that contains a high number of phenyl groups attached to the main chain. Synthesis of this polysilane is challenging and was done by microwave-assisted Wurtz coupling of diphenyldichlorosilanes in the presence of low amounts of methyldichlorosilane. The nanocomposites were obtained in solution by mixing the polymer with C{sub 60} of various concentrations. The UV–vis profile shows formation of the intermolecular charge transfer complex between polysilane and C{sub 60} which acts as a dopant. Photoluminescence experiments at different concentrations of C{sub 60} revealed details concerning the emission from charge transfer states at the interface. Thin films of polysilane/C{sub 60} nanocomposites were casted from solutions and studied by AFM and TEM to evidence the main aspects of their microstructure. The obtained results confirmed the high potential of these materials for electro-optical devices. - Highlights: • Fullerene interaction with phenyl saturated polysilanes. • Microwave-assisted heterogeneous Wurtz-type polymerization. • UV–VIS and fluorescence spectroscopy of polydiphenylsilane/C{sub 60} nanocomposites. • Phenyls' mechanism to increase efficiency of polysilane/C{sub 60} based solar cells.

  7. Photoionization of endohedral fullerenes using soft x-ray coincidence spectroscopy

    Science.gov (United States)

    Obaid, Razib; Xiong, Hui; Ablikim, Utuq; Augustin, Sven; Schnorr, Kirsten; Battistoni, Andrea; Wolf, Thomas; Carroll, Ann Marie; Bilodeau, Rene; Osipov, Timur; Rolles, Daniel; Berrah, Nora

    2016-05-01

    Endohedral fullerenes are a model system to understand the reorganization dynamics of highly charged molecular systems with delocalized electronic clouds in the multiphoton excitation regime. Previous experiments at the Linac Coherent Light Source (LCLS) using free-electron laser (FEL) and ultrafast IR laser pulses studied this feature in Ho3N@C80. The question remains whether these dynamics can be studied in the site-specific single photo-ionization regime. Ho3N@C80 is particularly interesting since the inner molecule, Ho3N, is unstable in its natural form. The presence of the encapsulating cage, with the charge exchange characteristics of Holmium, stabilizes the whole molecule. In this study, we will present the charge fragmentation dynamics of this species in the single photoionization process of inner shell electrons (4d) of Holmium using the Advanced Light Source (ALS) at LBNL. Photoion-photoion correlation data, alongside with qualitative electron data will be presented. Funded by the DoE-BES, Grant No. DE-SC0012376.

  8. The Charge asymmetry in W bosons produced in p$\\bar{p}$ collisions at √s = 1.96 TeV

    Energy Technology Data Exchange (ETDEWEB)

    Torborg, Julie M. [Univ. of Notre Dame, IN (United States)

    2005-07-01

    The primary mode of production of W+ bosons in a p$\\bar{p}$ collider is u + $\\bar{d}$ → W+. The u quark generally carries more momentum than the $\\bar{d}$ and the resultant W+ tends to be boosted in the proton direction. Similarly, W bosons are boosted in the anti-proton direction. This is observed as an asymmetry in the rapidity distributions of positive and negative W bosons. Measurement of this asymmetry serves as a probe of the momentum distribution of partons within the proton. These distributions are required as input to the calculation of every p$\\bar{p}$ production cross section. This thesis presents the first measurement at D0 of the charge asymmetry of the W boson production cross section as measured in W → ev decays in 0.3 fb-1 of p$\\bar{p}$ collisions collected with the D0 Detector. Theoretical predictions made using the CTEQ6.1M and MRST(2004) parton distribution functions are compared with the measurement.

  9. Producing a background free data set for measurement of the charge current flux and day-night asymmetry at the Sudbury Neutrino Observatory

    CERN Document Server

    McCauley, N K

    2001-01-01

    The SNO detector is a 1 kilo-tonne heavy water Cerenkov detector designed to solve the solar neutrino problem. The detector is situated 2km underground in the INCO Ltd. Creighton mine near Sudbury, Ontario. The heavy water is observed by approximately 9500 photo-multiplier tubes (PMTs) to detect Cerenkov light generated by solar neutrino interactions. Using heavy water SNO can detect neutrinos in three different ways. In this thesis aspects of the charge current (a reaction sensitive to electron neutrinos only) and elastic scattering flux analysis are presented. Some models predict a difference in the detected neutrino rate between day and night. Measurement of this via the day-night asymmetry can help solve the solar neutrino problem. One of the principal problems for the solar neutrino analysis are the instrumental backgrounds; events caused by processes other than Cerenkov light. This thesis contains the descriptions of the backgrounds, the data selection cuts that have been designed to remove them and the...

  10. Charged particle detection performances of CMOS pixel sensors produced in a 0.18 um process with a high resistivity epitaxial layer

    CERN Document Server

    Senyukov, Serhiy; Besson, Auguste; Claus, Gilles; Cousin, Loic; Dorokhov, Andrei; Dulinski, Wojciech; Goffe, Mathieu; Hu-Guo, Christine; Winter, Marc

    2013-01-01

    The apparatus of the ALICE experiment at CERN will be upgraded in 2017/18 during the second long shutdown of the LHC (LS2). A major motivation for this upgrade is to extend the physics reach for charmed and beauty particles down to low transverse momenta. This requires a substantial improvement of the spatial resolution and the data rate capability of the ALICE Inner Tracking System (ITS). To achieve this goal, the new ITS will be equipped with 50 um thin CMOS Pixel Sensors (CPS) covering either the 3 innermost layers or all the 7 layers of the detector. The CPS being developed for the ITS upgrade at IPHC (Strasbourg) is derived from the MIMOSA 28 sensor realised for the STAR-PXL at RHIC in a 0.35 um CMOS process. In order to satisfy the ITS upgrade requirements in terms of readout speed and radiation tolerance, a CMOS process with a reduced feature size and a high resistivity epitaxial layer should be exploited. In this respect, the charged particle detection performance and radiation hardness of the TowerJa...

  11. Fullerenes, Organics and the Diffuse Interstellar Bands

    Science.gov (United States)

    Foing, Bernard H.

    2016-07-01

    The status of DIB research has strongly advanced since 20 years [1], as well as the quest for fullerenes, PAHs and large organics in space. In 1994 we reported the discovery of two near IR diffuse bands coincident with C60+, confirmed in subsequent years [2-6] and now by latest laboratory experiments. A number of DIB observational studies have been published, dealing with: DIB surveys [1,7-10]; measurements of DIB families, correlations and environment dependences [11-14]; extragalactic DIBs [15, 16]. Resolved substructures were detected [17,18] and compared to predicted rotational contours by large molecules [19]. Polarisation studies provided upper limits constraints [20, 21]. DIBs carriers have been linked with organic molecules observed in the interstellar medium [22-25] such as IR bands (assigned to PAHs), Extended Red Emission or recently detected Anomalous Microwave Emission (AME, assigned to spinning dust) and with spectroscopic IR emission bands measured with ISO or Spitzer. Fullerenes and PAHs have been proposed to explain some DIBs and specific molecules were searched in DIB spectra [eg 2-6, 26-31]. These could be present in various dehydrogenation and ionisation conditions [32,33]. Experiments in the laboratory and in space [eg 34-36] allow to measure the survival and by-products of these molecules. We review DIB observational results and their interpretation, and discuss the presence of large organics, fullerenes, PAHs, graphenes in space. References [1] Herbig, G. 1995 ARA&A33, 19; [2] Foing, B. & Ehrenfreund, P. 1994 Natur 369, 296; [3] Foing, B. & Ehrenfreund, P. 1997 A&A317, L59; [4] Foing, B. & Ehrenfreund, P. 1995 ASSL202, 65; [5] Ehrenfreund, P., Foing, B. H. 1997 AdSpR19, 1033; [6] Galazutdinov, G. A. et al. 2000 MNRAS317, 750; [7] Jenniskens, P., Desert, F.-X. 1994 A&AS106, 39; [8] Ehrenfreund, P. et al. 1997 A&A318, L28; [9] Tuairisg, S. Ó. et al. 2000 A&AS142, 225; [10] Cox, N. et al. 2005 A&A438, 187; [11] Cami, J. et al. 1997A&A.326, 822

  12. Polymer-fullerene bulk-heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Van Duren, J.K.J.

    2004-03-08

    In 2000 polymer:fullerene bulk-heterojunction solar cells reached power conversion efficiencies of < 1%. Improving the performance, stability, and lifetime of bulk-heterojunction solar cells requires more insight in the preparation, and operation of these devices. This thesis discusses the preparation and the morphological and electrical characterization of devices made from MDMO-PPV (poly 2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylene vinylene), PCBM (1-(3-methoxycarbonyl)propyl-1-phenyl-(6,6)-methanofullerene), and their mixtures. The understanding of the influence of morphology on the device performance should aid in obtaining insight in the fundamental issues of the bulk-heterojunction concept. Furthermore, new materials are introduced in an attempt to improve performance. In chapter 2, it is shown that bulk-heterojunction solar cells made from MDMO-PPV and PCBM reach power conversion efficiencies of 2.5% under simulated solar light. It is shown for the first time that replacing the orange MDMO-PPV with a low-bandgap conjugated material results in a more red-shifted spectral response of these solar cells. Additionally, in an attempt to control the nanoscale morphology of the photoactive layer, the first example of a covalently linked donor polymer with pendant fullerenes incorporated in working solar cells is reported. The results indicated that more fundamental questions concerning the operation of the device and the influence of morphology must be addressed, before a rational improvement in device performance can be expected. Chapter 3 discusses the influence of morphology on transport in disordered organic semiconductors. Morphological investigations on films of PCBM and several PPVs are combined with the analysis of charge-carrier-mobility data. The morphological disorder observed in the PCBM films is in agreement with its charge-transport properties. Imaging individual conjugated polymer chains and aggregates on cast films with scanning force

  13. Enhanced efficiency in double junction polymer : fullerene solar cells

    NARCIS (Netherlands)

    Moet, D. J. D.; de Bruyn, P.; Kotlarski, J. D.; Blom, P. W. M.

    2010-01-01

    Polymer solar cells based on the polyfluorene copolymer poly[9,9-didecanefluorene-alt-(bis-thienylene) benzothiadiazole] (PF10TBT) and the fullerene derivative [6,6]-phenyl C(61)-butyric acid methyl ester (PCBM) exhibit a power conversion efficiency of 4%. However, the optimum thickness of the photo

  14. Enhanced efficiency in double junction polymer: Fullerene solar cells

    NARCIS (Netherlands)

    Moet, D.J.D.; Bruyn, P. de; Kotlarski, J.D.; Blom, P.W.M.

    2010-01-01

    Polymer solar cells based on the polyfluorene copolymer poly[9,9-didecanefluorene-alt-(bis-thienylene) benzothiadiazole] (PF10TBT) and the fullerene derivative [6,6]-phenyl C61-butyric acid methyl ester (PCBM) exhibit a power conversion efficiency of 4%. However, the optimum thickness of the photoac

  15. Local magnetism in rare-earth metals encapsulated in fullerenes

    NARCIS (Netherlands)

    De Nadai, C; Mirone, A; Dhesi, SS; Bencok, P; Brookes, NB; Marenne, [No Value; Rudolf, P; Tagmatarchis, N; Shinohara, H; Dennis, TJS; Marenne, I.; Nadaï, C. De

    2004-01-01

    Local magnetic properties of rare-earth (RE) atoms encapsulated in fullerenes have been characterized using x-ray magnetic circular dichroism and x-ray absorption spectroscopy (XAS). The orbital and spin contributions of the magnetic moment have been determined through sum rules and theoretical mode

  16. Fullerene-based Anchoring Groups for Molecular Electronics

    DEFF Research Database (Denmark)

    Martin, Christian A.; Ding, Dapeng; Sørensen, Jakob Kryger;

    2008-01-01

    We present results on a new fullerene-based anchoring group for molecular electronics. Using lithographic mechanically controllable break junctions in vacuum we have determined the conductance and stability of single-molecule junctions of 1,4-bis(fullero[c]pyrrolidin-1-yl)benzene. The compound can...

  17. A novel route towards high quality fullerene-pillared graphene

    NARCIS (Netherlands)

    Spyrou, Konstantinos; Kang, Longtian; Diamanti, Eumorfia K.; Gengler, Regis Y.; Gournis, Dimitrios; Prato, Maurizio; Rudolf, Petra

    2013-01-01

    A new approach for the synthesis of graphite intercalation compounds (GICs), by the help of co-intercalant molecules, has been observed. In the present work, we demonstrate the successful incorporation of fullerene (C-60) molecules between the graphene sheets aided by the preceding intercalation of

  18. Predicting morphologies of solution processed polymer: Fullerene blends

    NARCIS (Netherlands)

    Kouijzer, S.; Michels, J.J.; Berg, M. van den; Gevaerts, V.S.; Turbiez, M.; Wienk, M.M.; Janssen, R.A.J.

    2013-01-01

    The performance of solution processed polymer:fullerene thin film photovoltaic cells is largely determined by the nanoscopic and mesoscopic morphology of these blends that is formed during the drying of the layer. Although blend morphologies have been studied in detail using a variety of microscopic

  19. Are Biogenic PAHs Precursors for Fullerenes on Earth?

    Science.gov (United States)

    Heymann, D.

    2002-03-01

    C60 fullerene in shungite and in bitumen from the Bohemian Massif could have formed in situ in two steps: 1. Cyclotrimerization of the PAH C20H12. 2. Dehydrogenation of C60H30 to C60. The necessary heat was provided during metamorphism.

  20. Fullerenes, fulleranes and polycyclic aromatic hydrocarbons in the Allende meteorite

    Science.gov (United States)

    Becker, L.; Bunch, T. E.

    1997-01-01

    In this paper, we confirm our earlier observations of fullerenes (C60 and C70) in the Allende meteorite (Becker et al., 1994a, 1995). Fullerene C60 was also detected in two separate C-rich (approximately 0.5-1.0%) dark inclusions (Heymann et al., 1987) that were hand picked from the Allende sample. The amounts of C60 detected were approximately 5 and approximately 10 ppb, respectively, which is considerably less than what was detected in the Allende 15/21 sample (approximately 100 ppb; Becker et al., 1994a, 1995). This suggests that fullerenes are heterogeneously distributed in the meteorite. In addition, we present evidence for fulleranes, (C60Hx), detected in separate samples by laser desorption (reflectron) time-of-flight (TOF) mass spectrometry (LDMS). The LDMS spectra for the Allende extracts were remarkably similar to the spectra generated for the synthetic fullerane mixtures. Several fullerane products were synthesized using a Rh catalyst (Becker et al., 1993a) and separated using high-performance liquid chromatography (HPLC). Polycyclic aromatic hydrocarbons (PAHs) were also observed ppm levels) that included benzofluoranthene and corannulene, a cup-shaped molecule that has been proposed as a precursor molecule to the formation of fullerenes in the gas phase (Pope et al., 1993).

  1. Effect of Spacer Connecting the Secondary Electron Donor Phenothiazine in Subphthalocyanine-Fullerene Conjugates in Promoting Electron Transfer Followed by Hole Shift Process.

    Science.gov (United States)

    Kc, Chandra B; Lim, Gary N; D'Souza, Francis

    2016-04-20

    Sequential electron/hole transfer between energetically well-positioned entities of photosynthetic reaction center models is one of the commonly employed mechanisms to generate long-lived charge-separated states. A wealth of information, applicable towards light energy harvesting and building optoelectronic devices, has been acquired from such studies. In the present study, we report on the effect of spacer (direct or via phenoxy linkage) connecting the hole shifting agent, phenothiazine (PTZ), on photoinduced charge stabilization in subphthalocyanine-fullerene donor-acceptor conjugates. In these conjugates, the subphthalocyanine (SubPc) and fullerene (C60 ) served as primary electron donor and acceptor, respectively, while the phenothiazine entities act as hole shifting agents. The newly synthesized compounds were characterized by optical absorption and emission, computational, and electrochemical methods. The redox potentials measured using differential pulse voltammetry were used to estimate free-energy changes for charge separation, hole migration, and charge recombination processes. Using femto- and nanosecond transient absorption techniques, evidence for charge separation, and kinetics of charge separation and recombination were obtained in polar benzonitrile and nonpolar toluene solvents. In the conjugate where the phenothiazine entities are directly linked to SubPc, evidence for sequential electron transfer followed by hole shift leading to long-lived charge separated state was weak, primarily due to the delocalization of HOMO on both SubPc and PTZ entities. However, in case of the conjugate where the PTZ and SubPc are linked via phenoxy spacers, sequential electron transfer/hole shift was observed leading to the formation of long-lived charge-separated states. The present study brings out the importance of the spacer group connecting the hole shifting agent in model donor-acceptor conjugates to generate long-lived charge-separated states. PMID:27037628

  2. Anomalous Photofragmentation of Fullerene Doped in Silica Aerogel-Enhanced Formation of Odd-Numbered "Fullerene" Fragments

    Institute of Scientific and Technical Information of China (English)

    孔庆宇; 赵利; 庄军; 钱士雄; 李郁芬; 王钰

    2001-01-01

    Photofragmentation of fullerene-doped silica aerogels has been investigated by the excimer laser ablation reflectron time-of-flight mass spectrometric technique. Great enhancement in the formation of odd-numbered 'fullerene' fragments has been observed in the negative-ion channel for the chemically doped aerogel sample. Generally, oddnumbered species C57, C55, C53 and C51 appeared in the mass spectra. Under optimM experimental conditions C55 can be even more intense than the neighbouring even-numbered carbon clusters. In contrast, for the physicallydoped sample, just like pristine C6o, only weak odd-numbered fragments were observed. In the positive-ion channel, the behaviour of all these samples is similar, no odd-numbered species was ever detected. A mechanism related to the interaction between the fullerene dopant and the silica aerogel host is suggested for the anomalous enhancement of the odd-numbered duster formation. A preliminary discussion on the structures of the oddnumbered 'fullerene' fragments is given.

  3. [60]Fullerene Displacement from (Dihapto-Buckminster-Fullerene) Pentacarbonyl Tungsten(0): An Experiment for the Inorganic Chemistry Laboratory, Part II

    Science.gov (United States)

    Cortes-Figueroa, Jose E.; Moore-Russo, Deborah A.

    2006-01-01

    The kinetics experiments on the ligand-C[subscript 60] exchange reactions on (dihapto-[60]fullerene) pentacarbonyl tungsten(0), ([eta][superscript 2]-C[subscript 60])W(CO)[subscript 5], form an educational activity for the inorganic chemistry laboratory that promotes graphical thinking as well as the understanding of kinetics, mechanisms, and the…

  4. Charged particle detection performances of CMOS pixel sensors produced in a 0.18μm process with a high resistivity epitaxial layer

    International Nuclear Information System (INIS)

    The apparatus of the ALICE experiment at CERN will be upgraded in 2017/18 during the second long shutdown of the LHC (LS2). A major motivation for this upgrade is to extend the physics reach for charmed and beauty particles down to low transverse momenta. This requires a substantial improvement of the spatial resolution and the data rate capability of the ALICE Inner Tracking System (ITS). To achieve this goal, the new ITS will be equipped with 50μm thin CMOS Pixel Sensors (CPS) covering either the three innermost layers or all the 7 layers of the detector. The CPS being developed for the ITS upgrade at IPHC (Strasbourg) is derived from the MIMOSA 28 sensor realised for the STAR-PXL at RHIC in a 0.35μm CMOS process. In order to satisfy the ITS upgrade requirements in terms of readout speed and radiation tolerance, a CMOS process with a reduced feature size and a high resistivity epitaxial layer should be exploited. In this respect, the charged particle detection performance and radiation hardness of the TowerJazz0.18μm CMOS process were studied with the help of the first prototype chip MIMOSA 32. The beam tests performed with negative pions of 120 GeV/c at the CERN-SPS allowed to measure a signal-to-noise ratio (SNR) for the non-irradiated chip in the range between 22 and 32 depending on the pixel design. The chip irradiated with the combined dose of 1 MRad and 1013neq/cm2 was observed to yield an SNR ranging between 11 and 23 for coolant temperatures varying from 15 °C to 30 °C. These SNR values were measured to result in particle detection efficiencies above 99.5% and 98% before and after irradiation, respectively. These satisfactory results allow to validate the TowerJazz0.18μm CMOS process for the ALICE ITS upgrade

  5. Charged particle detection performances of CMOS pixel sensors produced in a 0.18μm process with a high resistivity epitaxial layer

    Energy Technology Data Exchange (ETDEWEB)

    Senyukov, S., E-mail: serhiy.senyukov@cern.ch; Baudot, J.; Besson, A.; Claus, G.; Cousin, L.; Dorokhov, A.; Dulinski, W.; Goffe, M.; Hu-Guo, C.; Winter, M.

    2013-12-01

    The apparatus of the ALICE experiment at CERN will be upgraded in 2017/18 during the second long shutdown of the LHC (LS2). A major motivation for this upgrade is to extend the physics reach for charmed and beauty particles down to low transverse momenta. This requires a substantial improvement of the spatial resolution and the data rate capability of the ALICE Inner Tracking System (ITS). To achieve this goal, the new ITS will be equipped with 50μm thin CMOS Pixel Sensors (CPS) covering either the three innermost layers or all the 7 layers of the detector. The CPS being developed for the ITS upgrade at IPHC (Strasbourg) is derived from the MIMOSA 28 sensor realised for the STAR-PXL at RHIC in a 0.35μm CMOS process. In order to satisfy the ITS upgrade requirements in terms of readout speed and radiation tolerance, a CMOS process with a reduced feature size and a high resistivity epitaxial layer should be exploited. In this respect, the charged particle detection performance and radiation hardness of the TowerJazz0.18μm CMOS process were studied with the help of the first prototype chip MIMOSA 32. The beam tests performed with negative pions of 120 GeV/c at the CERN-SPS allowed to measure a signal-to-noise ratio (SNR) for the non-irradiated chip in the range between 22 and 32 depending on the pixel design. The chip irradiated with the combined dose of 1 MRad and 10{sup 13}n{sub eq}/cm{sup 2} was observed to yield an SNR ranging between 11 and 23 for coolant temperatures varying from 15 °C to 30 °C. These SNR values were measured to result in particle detection efficiencies above 99.5% and 98% before and after irradiation, respectively. These satisfactory results allow to validate the TowerJazz0.18μm CMOS process for the ALICE ITS upgrade.

  6. Photoinduced Intramolecular Charge Transfer in Donor-acceptor Dyad and Donor-bridge-acceptor Triad

    Institute of Scientific and Technical Information of China (English)

    Yong Ding; Yuan-zuo Li; Feng-cai Ma

    2008-01-01

    The ground and excited state properties of the [60]fullerene,diphenylbenzothiadiazole-triphenylamine (PBTDP-TPA) dyad and fullerene-diphenylbenzothiadiazole-triphenylamine (fullerene-PBTDP-TPA) triad were investigated theoretically using density functional theory with B3LYP functional and 3-21G basis set and time-dependent density functional theory with B3LYP functional and STO-3G basis set as well as 2D and 3D real space analysis methods.The 2D site representation reveals the electron-hole coherence on exci- tation.The 3D transition density shows the orientation and strength of the transition dipole moment,and the 3D charge difference density gives the orientation and result of the intramolecular charge transfer.Also, photoinduced intermolecular charge transfer (ICT) in PBTDP-TPA-fullerene triad are identified with 2D and 3D representations,which reveals the mechanisms of ICT in donor-bridge-acceptor triad on excitation. Besides that we also found that the direct superexchange ICT from donor to acceptor (tunneling through the bridge) strongly promotes the ICT in the donor-bridge-acceptor triad.

  7. Two-chamber configuration of Bio-Nano electron cyclotron resonance ion source for fullerene modification

    Energy Technology Data Exchange (ETDEWEB)

    Uchida, T., E-mail: uchida-t@toyo.jp [Bio-Nano Electronics Research Centre, Toyo University, Kawagoe 350-8585 (Japan); Graduate School of Interdisciplinary New Science, Toyo University, Kawagoe 350-8585 (Japan); Rácz, R.; Biri, S. [Institute for Nuclear Research (Atomki), Hungarian Academy of Sciences, Bem tér 18/C, H-4026 Debrecen (Hungary); Muramatsu, M.; Kitagawa, A. [National Institute of Radiological Sciences (NIRS), Chiba 263-8555 (Japan); Kato, Y. [Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Yoshida, Y. [Bio-Nano Electronics Research Centre, Toyo University, Kawagoe 350-8585 (Japan); Faculty of Science and Engineering, Toyo University, Kawagoe 350-8585 (Japan)

    2016-02-15

    We report on the modification of fullerenes with iron and chlorine using two individually controllable plasmas in the Bio-Nano electron cyclotron resonance ion source (ECRIS). One of the plasmas is composed of fullerene and the other one is composed of iron and chlorine. The online ion beam analysis allows one to investigate the rate of the vapor-phase collisional modification process in the ECRIS, while the offline analyses (e.g., liquid chromatography-mass spectrometry) of the materials deposited on the plasma chamber can give information on the surface-type process. Both analytical methods show the presence of modified fullerenes such as fullerene-chlorine, fullerene-iron, and fullerene-chlorine-iron.

  8. Two-chamber configuration of Bio-Nano electron cyclotron resonance ion source for fullerene modification

    International Nuclear Information System (INIS)

    We report on the modification of fullerenes with iron and chlorine using two individually controllable plasmas in the Bio-Nano electron cyclotron resonance ion source (ECRIS). One of the plasmas is composed of fullerene and the other one is composed of iron and chlorine. The online ion beam analysis allows one to investigate the rate of the vapor-phase collisional modification process in the ECRIS, while the offline analyses (e.g., liquid chromatography-mass spectrometry) of the materials deposited on the plasma chamber can give information on the surface-type process. Both analytical methods show the presence of modified fullerenes such as fullerene-chlorine, fullerene-iron, and fullerene-chlorine-iron

  9. Liposome Formulation of Fullerene-Based Molecular Diagnostic and Therapeutic Agents

    OpenAIRE

    Zhiguo Zhou

    2013-01-01

    Fullerene medicine is a new but rapidly growing research subject. Fullerene has a number of desired structural, physical and chemical properties to be adapted for biological use including antioxidants, anti-aging, anti-inflammation, photodynamic therapy, drug delivery, and magnetic resonance imaging contrast agents. Chemical functionalization of fullerenes has led to several interesting compounds with very promising preclinical efficacy, pharmacokinetic and safety data. However, there is no c...

  10. Detection of fullerenes (C60 and C70) in commercial cosmetics

    OpenAIRE

    Benn, Troy M.; Westerhoff, Paul; Herckes, Pierre

    2011-01-01

    Detection methods are necessary to quantify fullerenes in commercial applications to provide potential exposure levels for future risk assessments of fullerene technologies. The fullerene concentrations of five cosmetic products were evaluated using liquid chromatography with mass spectrometry to separate and specifically detect C60 and C70 from interfering cosmetic substances (e.g., castor oil). A cosmetic formulation was characterized with transmission electron microscopy, which confirmed t...

  11. Potentiometric Urea Biosensor Based on an Immobilised Fullerene-Urease Bio-Conjugate

    OpenAIRE

    Kasra Saeedfar; Lee Yook Heng; Tan Ling Ling; Majid Rezayi

    2013-01-01

    A novel method for the rapid modification of fullerene for subsequent enzyme attachment to create a potentiometric biosensor is presented. Urease was immobilized onto the modified fullerene nanomaterial. The modified fullerene-immobilized urease (C60-urease) bioconjugate has been confirmed to catalyze the hydrolysis of urea in solution. The biomaterial was then deposited on a screen-printed electrode containing a non-plasticized poly(n-butyl acrylate) (PnBA) membrane entrapped with a hydrogen...

  12. Hydrogen interaction with fullerenes: From C[sub 20] to graphene

    OpenAIRE

    Vehviläinen, T. T.; Ganchenkova, M. G.; Oikkonen, L E; Nieminen, Risto M.

    2011-01-01

    The paper presents a systematic study of the trends in the interaction of hydrogen with carbon fullerenes versus their curvature, where graphene is taken as the limit of zero curvature. The efficiency of hydrogen incapsulation in fullerenes, penetration into them, and adsorption on their surface are analyzed and discussed. The effects on magnetism are also considered; in particular, it is shown that hydrogen adsorption to some fullerenes induces magnetism to initially nonmagnetic systems. In ...

  13. Centrosymmetric Graphs And A Lower Bound For Graph Energy Of Fullerenes

    Directory of Open Access Journals (Sweden)

    Katona Gyula Y.

    2014-11-01

    Full Text Available The energy of a molecular graph G is defined as the summation of the absolute values of the eigenvalues of adjacency matrix of a graph G. In this paper, an infinite class of fullerene graphs with 10n vertices, n ≥ 2, is considered. By proving centrosymmetricity of the adjacency matrix of these fullerene graphs, a lower bound for its energy is given. Our method is general and can be extended to other class of fullerene graphs.

  14. Synthesis of novel Mesoporous Fullerene and its application to electro-oxidation of methanol

    OpenAIRE

    Mondal, Sujit K.

    2010-01-01

    One pot synthetic technique was used to synthesize mesoporous fullerene using highly ordered mesoporous template such as KIT6-150 and SBA-15-150. Highly ordered porous fullerene with cross linkage between the fullerene molecules was obtained at high temperature 900 0C. This type of highly ordered and high surface area mesoporous fullerence was used as catalyst to study anodic performance in sulphuric acid medium. Finally, it was used to test its catalytic activity for electrochemical methanol...

  15. Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes

    OpenAIRE

    Davis, Erin Durke

    2011-01-01

    Acquiring in depth knowledge of the ozone oxidation of surface-bound fullerenes advances the understanding of fullerene fate in the environment, as well as the reactivity of ozone with carbonaceous nanomaterials. Recent ultrahigh vacuum studies of the reaction of gasphase ozone with surface-bound fullerenes have made it possible to observe the formation and subsequent thermal decomposition of the primary ozonide (PO). As the use of nanomaterials, such as C60, continues to incre...

  16. Potentiality of the composite fulleren based carbon films as the stripper foils for tandem accelerators

    CERN Document Server

    Vasin, A V; Rusavsky, A V; Totsky, Y I; Vishnevski, I N

    2001-01-01

    The problem of the radiation resistance of the carbon stripper foils is considered. The short review of the experimental data available in literature and original experimental results of the are presented. In the paper discussed is the possibility of composite fulleren based carbon films to be used for preparation of the stripper foils. Some technological methods for preparation of composite fulleren based carbon films are proposed. Raman scattering and atom force microscopy were used for investigation of the fulleren and composite films deposited by evaporation of the C sub 6 sub 0 fulleren powder.

  17. Synthesis of metallic silicide fullerenes and the characteristics thereof by mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Direct current arc discharge is used for the study on the synthesis of metallo-fullerenes (MFs) to discover whether there exist metallic silicide fullerenes and silicon fullerenes. The resultant components are isolated by the multistage high-performance liquid chromatography (HPLC) and analyzed with the Time-of-Flight (TOF) mass spectrometry. Results show that there exist fullerenes such as SiC69, YSi2C64, YSi2C78, Y3Si2C78 as well as Y2Si2C90 which are structurally similar to (Y2C2)@C82.

  18. Spectroscopy of fullerenes, fulleranes and PAHs in the UV, visible and near infrared spectral range

    OpenAIRE

    F. Cataldo; Garcia-Hernandez, D. A.; Manchado, A.; Iglesias-Groth, S.

    2013-01-01

    The spectra of fullerenes C60 and C70, higher fullerenes C76, C78 and C84 and hydrogenated fullerenes (fulleranes) were studied in laboratory in the UV and in the visible spectral range and could be used for searching and recognizing these molecules in space. Furthermore, the radical cation spectra of all the mentioned fullerene series and also of a series of large and very large polycyclic aromatic hydrocarbons (PAHs) were generated in laboratory and studied in the near infrared spectral range.

  19. Detection of fullerenes (C60 and C70) in commercial cosmetics

    International Nuclear Information System (INIS)

    Detection methods are necessary to quantify fullerenes in commercial applications to provide potential exposure levels for future risk assessments of fullerene technologies. The fullerene concentrations of five cosmetic products were evaluated using liquid chromatography with mass spectrometry to separate and specifically detect C60 and C70 from interfering cosmetic substances (e.g., castor oil). A cosmetic formulation was characterized with transmission electron microscopy, which confirmed that polyvinylpyrrolidone encapsulated C60. Liquid-liquid extraction of fullerenes from control samples approached 100% while solid-phase and sonication in toluene extractions yielded recoveries of 27-42%. C60 was detected in four commercial cosmetics ranging from 0.04 to 1.1 μg/g, and C70 was qualitatively detected in two samples. A single-use quantity of cosmetic (0.5 g) may contain up to 0.6 μg of C60, demonstrating a pathway for human exposure. Steady-state modeling of fullerene adsorption to biosolids is used to discuss potential environmental releases from wastewater treatment systems. - Highlights: → Fullerenes were detected in cosmetics up to 1.1 μg/g. → Liquid-liquid extraction efficiently recovers fullerenes in cosmetic matrices. → Solid-phase extraction reduces LC-MS detection interferences for C60. → Cosmetics can increase human and environmental fullerene exposures. - Fullerenes were detected in cosmetics with liquid chromatography-mass spectrometry up to 1.1 μg/g, demonstrating a source for human/environmental exposure.

  20. Effect of self-assembly of fullerene nano-particles on lipid membrane.

    Directory of Open Access Journals (Sweden)

    Saiqun Zhang

    Full Text Available Carbon nanoparticles can penetrate the cell membrane and cause cytotoxicity. The diffusion feature and translocation free energy of fullerene through lipid membranes is well reported. However, the knowledge on self-assembly of fullerenes and resulting effects on lipid membrane is poorly addressed. In this work, the self-assembly of fullerene nanoparticles and the resulting influence on the dioleoylphosphtidylcholine (DOPC model membrane were studied by using all-atom molecular dynamics simulations with explicit solvents. Our simulation results confirm that gathered small fullerene cluster can invade lipid membrane. Simulations show two pathways: 1 assembly process is completely finished before penetration; 2 assembly process coincides with penetration. Simulation results also demonstrate that in the membrane interior, fullerene clusters tend to stay at the position which is 1.0 nm away from the membrane center. In addition, the diverse microscopic stacking mode (i.e., equilateral triangle, tetrahedral pentahedral, trigonal bipyramid and octahedron of these small fullerene clusters are well characterized. Thus our simulations provide a detailed high-resolution characterization of the microscopic structures of the small fullerene clusters. Further, we found the gathered small fullerene clusters have significant adverse disturbances to the local structure of the membrane, but no great influence on the global integrity of the lipid membrane, which suggests the prerequisite of high-content fullerene for cytotoxicity.

  1. An experimental study on pool boiling characteristics of carbon nano tube (CNT) and fullerene (C-60) nanofluids

    International Nuclear Information System (INIS)

    In recent years, it was found that pool boiling critical heat flux (CHF) increases in nanofluids. The CHF conditions are important for safe and economic design of many heat transfer units including nuclear reactor. In this study, our objective is to evaluate the impact of Carbone Nano Tubes (Singlewalled CNTs and Multiwalled CNTs) and Fullerene (C-60) nanofluids at different particle concentration on pool boiling critical heat flux experimentally at saturated conditions. Multiwalled CNT and fullerene (C-60) added in the pure water at three volume concentrations (0.01%, 0.001%, and 0.0001%). Singlewalled CNT nanoparticles added in the pure water at two volume concentrations (0.0005%, and 0.0001%). For the dispersion of nanoparticles in pure water, several treatments were performed. Multiwalled CNTs and Fullerene (C-60) prepared using acid treatment, meanwhile two treatment are using for Singlewalled CNTs: (1)Singlewalled CNTs prepared using polymer treatment, (2)Singlewalled CNTs prepared using pre polymerization of micelle treatment. The zeta potential of CNTs and Fullerene nanofluids were in the range of 13-71 mV. The zeta potential of nanofluids was constant for more than one month. It concludes that the treatment has been succeeded produces water dispersible CNTs and Fullerene nanofluids with good stability. The critical heat flux (CHFs) of the solution is enhanced greatly for all nanofluids. Enhanced (∼167.9%) CHF was observed for solutions with Multiwalled CNT nanoparticles with concentration 0.01 vol%. Enhanced (∼109.4%) CHF was observed for solutions with Singlewalled CNT nanoparticles with concentration 0.0005 vol%. Enhanced (∼108.9%) CHF was observed for solutions with Fullerene nanoparticles with concentration 0.01 vol%. The pool boiling Heat Transfer Coefficient (HTCs) of the CNTs nanofluids are lower than those of pure water in the entire nucleate boiling regime. On the other hand, the pool boiling HTCs of Fullerene nanofluids are higher than

  2. Search for charged Higgs bosons produced in association with a top quark and decaying via H±→τν using pp collision data recorded at s=13 TeV by the ATLAS detector

    Directory of Open Access Journals (Sweden)

    M. Aaboud

    2016-08-01

    Full Text Available Charged Higgs bosons produced in association with a single top quark and decaying via H±→τν are searched for with the ATLAS experiment at the LHC, using proton–proton collision data at s=13 TeV corresponding to an integrated luminosity of 3.2 fb−1. The final state is characterised by the presence of a hadronic τ decay and missing transverse momentum, as well as a hadronically decaying top quark, resulting in the absence of high-transverse-momentum electrons and muons. The data are found to be consistent with the expected background from Standard Model processes. A statistical analysis leads to 95% confidence-level upper limits on the production cross section times branching fraction, σ(pp→[b]tH±×BR(H±→τν, between 1.9 pb and 15 fb, for charged Higgs boson masses ranging from 200 to 2000 GeV. The exclusion limits for this search surpass those obtained with the proton–proton collision data recorded at s=8 TeV.

  3. Search for charged Higgs bosons produced in association with a top quark and decaying via H± → τν using pp collision data recorded at √{ s} = 13 TeV by the ATLAS detector

    Science.gov (United States)

    Aaboud, M.; Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Aben, R.; AbouZeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alstaty, M.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antonelli, M.; Antonov, A.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Barak, L.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barisonzi, M.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barranco Navarro, L.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Basalaev, A.; Bassalat, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bedognetti, M.; Bee, C. P.; Beemster, L. J.; Beermann, T. A.; Begel, M.; Behr, J. K.; Belanger-Champagne, C.; Bell, A. S.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Belyaev, N. L.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez, J.; Benjamin, D. P.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Beringer, J.; Berlendis, S.; Bernard, N. R.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertram, I. A.; Bertsche, C.; Bertsche, D.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethke, S.; Bevan, A. J.; Bhimji, W.; Bianchi, R. M.; Bianchini, L.; Bianco, M.; Biebel, O.; Biedermann, D.; Bielski, R.; Biesuz, N. V.; Biglietti, M.; Bilbao De Mendizabal, J.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Biondi, S.; Bjergaard, D. M.; Black, C. W.; Black, J. E.; Black, K. M.; Blackburn, D.; Blair, R. E.; Blanchard, J.-B.; Blanco, J. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blum, W.; Blumenschein, U.; Blunier, S.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Boerner, D.; Bogaerts, J. A.; Bogavac, D.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bokan, P.; Bold, T.; Boldyrev, A. S.; Bomben, M.; Bona, M.; Boonekamp, M.; Borisov, A.; Borissov, G.; Bortfeldt, J.; Bortoletto, D.; Bortolotto, V.; Bos, K.; Boscherini, D.; Bosman, M.; Bossio Sola, J. D.; Boudreau, J.; Bouffard, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Boutle, S. K.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bracinik, J.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Braun, H. M.; Breaden Madden, W. D.; Brendlinger, K.; Brennan, A. J.; Brenner, L.; Brenner, R.; Bressler, S.; Bristow, T. M.; Britton, D.; Britzger, D.; Brochu, F. M.; Brock, I.; Brock, R.; Brooijmans, G.; Brooks, T.; Brooks, W. K.; Brosamer, J.; Brost, E.; Broughton, J. H.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Bruni, A.; Bruni, G.; Brunt, B. H.; Bruschi, M.; Bruscino, N.

    2016-08-01

    Charged Higgs bosons produced in association with a single top quark and decaying via H± → τν are searched for with the ATLAS experiment at the LHC, using proton-proton collision data at √{ s} = 13 TeV corresponding to an integrated luminosity of 3.2 fb-1. The final state is characterised by the presence of a hadronic τ decay and missing transverse momentum, as well as a hadronically decaying top quark, resulting in the absence of high-transverse-momentum electrons and muons. The data are found to be consistent with the expected background from Standard Model processes. A statistical analysis leads to 95% confidence-level upper limits on the production cross section times branching fraction, σ (pp → [ b ] tH±) ×BR (H± → τν), between 1.9 pb and 15 fb, for charged Higgs boson masses ranging from 200 to 2000 GeV. The exclusion limits for this search surpass those obtained with the proton-proton collision data recorded at √{ s} = 8 TeV.

  4. Search for a Charged Higgs Boson Produced in the Vector-boson Fusion Mode with Decay $H^\\pm \\to W^\\pm Z$ using $pp$ Collisions at $\\sqrt{s}=8$ TeV with the ATLAS Experiment

    CERN Document Server

    Aad, Georges; Abdallah, Jalal; Abdinov, Ovsat; Aben, Rosemarie; Abolins, Maris; AbouZeid, Ossama; Abramowicz, Halina; Abreu, Henso; Abreu, Ricardo; Abulaiti, Yiming; Acharya, Bobby Samir; Adamczyk, Leszek; Adams, David; Adelman, Jahred; Adomeit, Stefanie; Adye, Tim; Affolder, Tony; Agatonovic-Jovin, Tatjana; Aguilar-Saavedra, Juan Antonio; Ahlen, Steven; Ahmadov, Faig; Aielli, Giulio; Akerstedt, Henrik; Åkesson, Torsten Paul Ake; Akimoto, Ginga; Akimov, Andrei; Alberghi, Gian Luigi; Albert, Justin; Albrand, Solveig; Alconada Verzini, Maria Josefina; Aleksa, Martin; Aleksandrov, Igor; Alexa, Calin; Alexander, Gideon; Alexopoulos, Theodoros; Alhroob, Muhammad; Alimonti, Gianluca; Alio, Lion; Alison, John; Alkire, Steven Patrick; Allbrooke, Benedict; Allport, Phillip; Aloisio, Alberto; Alonso, Alejandro; Alonso, Francisco; Alpigiani, Cristiano; Altheimer, Andrew David; Alvarez Gonzalez, Barbara; Άlvarez Piqueras, Damián; Alviggi, Mariagrazia; Amadio, Brian Thomas; Amako, Katsuya; Amaral Coutinho, Yara; Amelung, Christoph; Amidei, Dante; Amor Dos Santos, Susana Patricia; Amorim, Antonio; Amoroso, Simone; Amram, Nir; Amundsen, Glenn; Anastopoulos, Christos; Ancu, Lucian Stefan; Andari, Nansi; Andeen, Timothy; Anders, Christoph Falk; Anders, Gabriel; Anders, John Kenneth; Anderson, Kelby; Andreazza, Attilio; Andrei, George Victor; Angelidakis, Stylianos; Angelozzi, Ivan; Anger, Philipp; Angerami, Aaron; Anghinolfi, Francis; Anisenkov, Alexey; Anjos, Nuno; Annovi, Alberto; Antonelli, Mario; Antonov, Alexey; Antos, Jaroslav; Anulli, Fabio; Aoki, Masato; Aperio Bella, Ludovica; Arabidze, Giorgi; Arai, Yasuo; Araque, Juan Pedro; Arce, Ayana; Arduh, Francisco Anuar; Arguin, Jean-Francois; Argyropoulos, Spyridon; Arik, Metin; Armbruster, Aaron James; Arnaez, Olivier; Arnal, Vanessa; Arnold, Hannah; Arratia, Miguel; Arslan, Ozan; Artamonov, Andrei; Artoni, Giacomo; Asai, Shoji; Asbah, Nedaa; Ashkenazi, Adi; Åsman, Barbro; Asquith, Lily; Assamagan, Ketevi; Astalos, Robert; Atkinson, Markus; Atlay, Naim Bora; Auerbach, Benjamin; Augsten, Kamil; Aurousseau, Mathieu; Avolio, Giuseppe; Axen, Bradley; Ayoub, Mohamad Kassem; Azuelos, Georges; Baak, Max; Baas, Alessandra; Bacci, Cesare; Bachacou, Henri; Bachas, Konstantinos; Backes, Moritz; Backhaus, Malte; Badescu, Elisabeta; Bagiacchi, Paolo; Bagnaia, Paolo; Bai, Yu; Bain, Travis; Baines, John; Baker, Oliver Keith; Balek, Petr; Balestri, Thomas; Balli, Fabrice; Banas, Elzbieta; Banerjee, Swagato; Bannoura, Arwa A E; Bansil, Hardeep Singh; Barak, Liron; Baranov, Sergei; Barberio, Elisabetta Luigia; Barberis, Dario; Barbero, Marlon; Barillari, Teresa; Barisonzi, Marcello; Barklow, Timothy; Barlow, Nick; Barnes, Sarah Louise; Barnett, Bruce; Barnett, Michael; Barnovska, Zuzana; Baroncelli, Antonio; Barone, Gaetano; Barr, Alan; Barreiro, Fernando; Barreiro Guimarães da Costa, João; Bartoldus, Rainer; Barton, Adam Edward; Bartos, Pavol; Bassalat, Ahmed; Basye, Austin; Bates, Richard; Batista, Santiago Juan; Batley, Richard; Battaglia, Marco; Bauce, Matteo; Bauer, Florian; Bawa, Harinder Singh; Beacham, James Baker; Beattie, Michael David; Beau, Tristan; Beauchemin, Pierre-Hugues; Beccherle, Roberto; Bechtle, Philip; Beck, Hans Peter; Becker, Anne Kathrin; Becker, Maurice; Becker, Sebastian; Beckingham, Matthew; Becot, Cyril; Beddall, Andrew; Beddall, Ayda; Bednyakov, Vadim; Bee, Christopher; Beemster, Lars; Beermann, Thomas; Begel, Michael; Behr, Janna Katharina; Belanger-Champagne, Camille; Bell, Paul; Bell, William; Bella, Gideon; Bellagamba, Lorenzo; Bellerive, Alain; Bellomo, Massimiliano; Belotskiy, Konstantin; Beltramello, Olga; Benary, Odette; Benchekroun, Driss; Bender, Michael; Bendtz, Katarina; Benekos, Nektarios; Benhammou, Yan; Benhar Noccioli, Eleonora; Benitez Garcia, Jorge-Armando; Benjamin, Douglas; Bensinger, James; Bentvelsen, Stan; Beresford, Lydia; Beretta, Matteo; Berge, David; Bergeaas Kuutmann, Elin; Berger, Nicolas; Berghaus, Frank; Beringer, Jürg; Bernard, Clare; Bernard, Nathan Rogers; Bernius, Catrin; Bernlochner, Florian Urs; Berry, Tracey; Berta, Peter; Bertella, Claudia; Bertoli, Gabriele; Bertolucci, Federico; Bertsche, Carolyn; Bertsche, David; Besana, Maria Ilaria; Besjes, Geert-Jan; Bessidskaia Bylund, Olga; Bessner, Martin Florian; Besson, Nathalie; Betancourt, Christopher; Bethke, Siegfried; Bevan, Adrian John; Bhimji, Wahid; Bianchi, Riccardo-Maria; Bianchini, Louis; Bianco, Michele; Biebel, Otmar; Bieniek, Stephen Paul; Biglietti, Michela; Bilbao De Mendizabal, Javier; Bilokon, Halina; Bindi, Marcello; Binet, Sebastien; Bingul, Ahmet; Bini, Cesare; Black, Curtis; Black, James; Black, Kevin; Blackburn, Daniel; Blair, Robert; Blanchard, Jean-Baptiste; Blanco, Jacobo Ezequiel; Blazek, Tomas; Bloch, Ingo; Blocker, Craig; Blum, Walter; Blumenschein, Ulrike; Bobbink, Gerjan; Bobrovnikov, Victor; Bocchetta, Simona Serena; Bocci, Andrea; Bock, Christopher; Boehler, Michael; Bogaerts, Joannes Andreas; Bogdanchikov, Alexander; Bohm, Christian; Boisvert, Veronique; Bold, Tomasz; Boldea, Venera; Boldyrev, Alexey; Bomben, Marco; Bona, Marcella; Boonekamp, Maarten; Borisov, Anatoly; Borissov, Guennadi; Borroni, Sara; Bortfeldt, Jonathan; Bortolotto, Valerio; Bos, Kors; Boscherini, Davide; Bosman, Martine; Boudreau, Joseph; Bouffard, Julian; Bouhova-Thacker, Evelina Vassileva; Boumediene, Djamel Eddine; Bourdarios, Claire; Bousson, Nicolas; Boveia, Antonio; Boyd, James; Boyko, Igor; Bozic, Ivan; Bracinik, Juraj; Brandt, Andrew; Brandt, Gerhard; Brandt, Oleg; Bratzler, Uwe; Brau, Benjamin; Brau, James; Braun, Helmut; Brazzale, Simone Federico; Brendlinger, Kurt; Brennan, Amelia Jean; Brenner, Lydia; Brenner, Richard; Bressler, Shikma; Bristow, Kieran; Bristow, Timothy Michael; Britton, Dave; Britzger, Daniel; Brochu, Frederic; Brock, Ian; Brock, Raymond; Bronner, Johanna; Brooijmans, Gustaaf; Brooks, Timothy; Brooks, William; Brosamer, Jacquelyn; Brost, Elizabeth; Brown, Jonathan; Bruckman de Renstrom, Pawel; Bruncko, Dusan; Bruneliere, Renaud; Bruni, Alessia; Bruni, Graziano; Bruschi, Marco; Bryngemark, Lene; Buanes, Trygve; Buat, Quentin; Buchholz, Peter; Buckley, Andrew; Buda, Stelian Ioan; Budagov, Ioulian; Buehrer, Felix; Bugge, Lars; Bugge, Magnar Kopangen; Bulekov, Oleg; Burckhart, Helfried; Burdin, Sergey; Burghgrave, Blake; Burke, Stephen; Burmeister, Ingo; Busato, Emmanuel; Büscher, Daniel; Büscher, Volker; Bussey, Peter; Buszello, Claus-Peter; Butler, John; Butt, Aatif Imtiaz; Buttar, Craig; Butterworth, Jonathan; Butti, Pierfrancesco; Buttinger, William; Buzatu, Adrian; Buzykaev, Aleksey; Cabrera Urbán, Susana; Caforio, Davide; Cairo, Valentina; Cakir, Orhan; Calafiura, Paolo; Calandri, Alessandro; Calderini, Giovanni; Calfayan, Philippe; Caloba, Luiz; Calvet, David; Calvet, Samuel; Camacho Toro, Reina; Camarda, Stefano; Camarri, Paolo; Cameron, David; Caminada, Lea Michaela; Caminal Armadans, Roger; Campana, Simone; Campanelli, Mario; Campoverde, Angel; Canale, Vincenzo; Canepa, Anadi; Cano Bret, Marc; Cantero, Josu; Cantrill, Robert; Cao, Tingting; Capeans Garrido, Maria Del Mar; Caprini, Irinel; Caprini, Mihai; Capua, Marcella; Caputo, Regina; Cardarelli, Roberto; Carli, Tancredi; Carlino, Gianpaolo; Carminati, Leonardo; Caron, Sascha; Carquin, Edson; Carrillo-Montoya, German D; Carter, Janet; Carvalho, João; Casadei, Diego; Casado, Maria Pilar; Casolino, Mirkoantonio; Castaneda-Miranda, Elizabeth; Castelli, Angelantonio; Castillo Gimenez, Victoria; Castro, Nuno Filipe; Catastini, Pierluigi; Catinaccio, Andrea; Catmore, James; Cattai, Ariella; Caudron, Julien; Cavaliere, Viviana; Cavalli, Donatella; Cavalli-Sforza, Matteo; Cavasinni, Vincenzo; Ceradini, Filippo; Cerio, Benjamin; Cerny, Karel; Cerqueira, Augusto Santiago; Cerri, Alessandro; Cerrito, Lucio; Cerutti, Fabio; Cerv, Matevz; Cervelli, Alberto; Cetin, Serkant Ali; Chafaq, Aziz; Chakraborty, Dhiman; Chalupkova, Ina; Chang, Philip; Chapleau, Bertrand; Chapman, John Derek; Charlton, Dave; Chau, Chav Chhiv; Chavez Barajas, Carlos Alberto; Cheatham, Susan; Chegwidden, Andrew; Chekanov, Sergei; Chekulaev, Sergey; Chelkov, Gueorgui; Chelstowska, Magda Anna; Chen, Chunhui; Chen, Hucheng; Chen, Karen; Chen, Liming; Chen, Shenjian; Chen, Xin; Chen, Ye; Cheng, Hok Chuen; Cheng, Yangyang; Cheplakov, Alexander; Cheremushkina, Evgenia; Cherkaoui El Moursli, Rajaa; Chernyatin, Valeriy; Cheu, Elliott; Chevalier, Laurent; Chiarella, Vitaliano; Childers, John Taylor; Chiodini, Gabriele; Chisholm, Andrew; Chislett, Rebecca Thalatta; Chitan, Adrian; Chizhov, Mihail; Choi, Kyungeon; Chouridou, Sofia; Chow, Bonnie Kar Bo; Christodoulou, Valentinos; Chromek-Burckhart, Doris; Chu, Ming-Lee; Chudoba, Jiri; Chuinard, Annabelle Julia; Chwastowski, Janusz; Chytka, Ladislav; Ciapetti, Guido; Ciftci, Abbas Kenan; Cinca, Diane; Cindro, Vladimir; Cioara, Irina Antonela; Ciocio, Alessandra; Citron, Zvi Hirsh; Ciubancan, Mihai; Clark, Allan G; Clark, Brian Lee; Clark, Philip James; Clarke, Robert; Cleland, Bill; Clement, Christophe; Coadou, Yann; Cobal, Marina; Coccaro, Andrea; Cochran, James H; Coffey, Laurel; Cogan, Joshua Godfrey; Cole, Brian; Cole, Stephen; Colijn, Auke-Pieter; Collot, Johann; Colombo, Tommaso; Compostella, Gabriele; Conde Muiño, Patricia; Coniavitis, Elias; Connell, Simon Henry; Connelly, Ian; Consonni, Sofia Maria; Consorti, Valerio; Constantinescu, Serban; Conta, Claudio; Conti, Geraldine; Conventi, Francesco; Cooke, Mark; Cooper, Ben; Cooper-Sarkar, Amanda; Cornelissen, Thijs; Corradi, Massimo; Corriveau, Francois; Corso-Radu, Alina; Cortes-Gonzalez, Arely; Cortiana, Giorgio; Costa, Giuseppe; Costa, María José; Costanzo, Davide; Côté, David; Cottin, Giovanna; Cowan, Glen; Cox, Brian; Cranmer, Kyle; Cree, Graham; Crépé-Renaudin, Sabine; Crescioli, Francesco; Cribbs, Wayne Allen; Crispin Ortuzar, Mireia; Cristinziani, Markus; Croft, Vince; Crosetti, Giovanni; Cuhadar Donszelmann, Tulay; Cummings, Jane; Curatolo, Maria; Cuthbert, Cameron; Czirr, Hendrik; Czodrowski, Patrick; D'Auria, Saverio; D'Onofrio, Monica; Da Cunha Sargedas De Sousa, Mario Jose; Da Via, Cinzia; Dabrowski, Wladyslaw; Dafinca, Alexandru; Dai, Tiesheng; Dale, Orjan; Dallaire, Frederick; Dallapiccola, Carlo; Dam, Mogens; Dandoy, Jeffrey Rogers; Dang, Nguyen Phuong; Daniells, Andrew Christopher; Danninger, Matthias; Dano Hoffmann, Maria; Dao, Valerio; Darbo, Giovanni; Darmora, Smita; Dassoulas, James; Dattagupta, Aparajita; Davey, Will; David, Claire; Davidek, Tomas; Davies, Eleanor; Davies, Merlin; Davison, Peter; Davygora, Yuriy; Dawe, Edmund; Dawson, Ian; Daya-Ishmukhametova, Rozmin; De, Kaushik; de Asmundis, Riccardo; De Castro, Stefano; De Cecco, Sandro; De Groot, Nicolo; de Jong, Paul; De la Torre, Hector; De Lorenzi, Francesco; De Nooij, Lucie; De Pedis, Daniele; De Salvo, Alessandro; De Sanctis, Umberto; De Santo, Antonella; De Vivie De Regie, Jean-Baptiste; Dearnaley, William James; Debbe, Ramiro; Debenedetti, Chiara; Dedovich, Dmitri; Deigaard, Ingrid; Del Peso, Jose; Del Prete, Tarcisio; Delgove, David; Deliot, Frederic; Delitzsch, Chris Malena; Deliyergiyev, Maksym; Dell'Acqua, Andrea; Dell'Asta, Lidia; Dell'Orso, Mauro; Della Pietra, Massimo; della Volpe, Domenico; Delmastro, Marco; Delsart, Pierre-Antoine; Deluca, Carolina; DeMarco, David; Demers, Sarah; Demichev, Mikhail; Demilly, Aurelien; Denisov, Sergey; Derendarz, Dominik; Derkaoui, Jamal Eddine; Derue, Frederic; Dervan, Paul; Desch, Klaus Kurt; Deterre, Cecile; Deviveiros, Pier-Olivier; Dewhurst, Alastair; Dhaliwal, Saminder; Di Ciaccio, Anna; Di Ciaccio, Lucia; Di Domenico, Antonio; Di Donato, Camilla; Di Girolamo, Alessandro; Di Girolamo, Beniamino; Di Mattia, Alessandro; Di Micco, Biagio; Di Nardo, Roberto; Di Simone, Andrea; Di Sipio, Riccardo; Di Valentino, David; Diaconu, Cristinel; Diamond, Miriam; Dias, Flavia; Diaz, Marco Aurelio; Diehl, Edward; Dietrich, Janet; Diglio, Sara; Dimitrievska, Aleksandra; Dingfelder, Jochen; Dittus, Fridolin; Djama, Fares; Djobava, Tamar; Djuvsland, Julia Isabell; do Vale, Maria Aline Barros; Dobos, Daniel; Dobre, Monica; Doglioni, Caterina; Dohmae, Takeshi; Dolejsi, Jiri; Dolezal, Zdenek; Dolgoshein, Boris; Donadelli, Marisilvia; Donati, Simone; Dondero, Paolo; Donini, Julien; Dopke, Jens; Doria, Alessandra; Dova, Maria-Teresa; Doyle, Tony; Drechsler, Eric; Dris, Manolis; Dubreuil, Emmanuelle; Duchovni, Ehud; Duckeck, Guenter; Ducu, Otilia Anamaria; Duda, Dominik; Dudarev, Alexey; Duflot, Laurent; Duguid, Liam; Dührssen, Michael; Dunford, Monica; Duran Yildiz, Hatice; Düren, Michael; Durglishvili, Archil; Duschinger, Dirk; Dyndal, Mateusz; Eckardt, Christoph; Ecker, Katharina Maria; Edgar, Ryan Christopher; Edson, William; Edwards, Nicholas Charles; Ehrenfeld, Wolfgang; Eifert, Till; Eigen, Gerald; Einsweiler, Kevin; Ekelof, Tord; El Kacimi, Mohamed; Ellert, Mattias; Elles, Sabine; Ellinghaus, Frank; Elliot, Alison; Ellis, Nicolas; Elmsheuser, Johannes; Elsing, Markus; Emeliyanov, Dmitry; Enari, Yuji; Endner, Oliver Chris; Endo, Masaki; Engelmann, Roderich; Erdmann, Johannes; Ereditato, Antonio; Ernis, Gunar; Ernst, Jesse; Ernst, Michael; Errede, Steven; Ertel, Eugen; Escalier, Marc; Esch, Hendrik; Escobar, Carlos; Esposito, Bellisario; Etienvre, Anne-Isabelle; Etzion, Erez; Evans, Hal; Ezhilov, Alexey; Fabbri, Laura; Facini, Gabriel; Fakhrutdinov, Rinat; Falciano, Speranza; Falla, Rebecca Jane; Faltova, Jana; Fang, Yaquan; Fanti, Marcello; Farbin, Amir; Farilla, Addolorata; Farooque, Trisha; Farrell, Steven; Farrington, Sinead; Farthouat, Philippe; Fassi, Farida; Fassnacht, Patrick; Fassouliotis, Dimitrios; Faucci Giannelli, Michele; Favareto, Andrea; Fayard, Louis; Federic, Pavol; Fedin, Oleg; Fedorko, Wojciech; Feigl, Simon; Feligioni, Lorenzo; Feng, Cunfeng; Feng, Eric; Feng, Haolu; Fenyuk, Alexander; Fernandez Martinez, Patricia; Fernandez Perez, Sonia; Ferrag, Samir; Ferrando, James; Ferrari, Arnaud; Ferrari, Pamela; Ferrari, Roberto; Ferreira de Lima, Danilo Enoque; Ferrer, Antonio; Ferrere, Didier; Ferretti, Claudio; Ferretto Parodi, Andrea; Fiascaris, Maria; Fiedler, Frank; Filipčič, Andrej; Filipuzzi, Marco; Filthaut, Frank; Fincke-Keeler, Margret; Finelli, Kevin Daniel; Fiolhais, Miguel; Fiorini, Luca; Firan, Ana; Fischer, Adam; Fischer, Cora; Fischer, Julia; Fisher, Wade Cameron; Fitzgerald, Eric Andrew; Flechl, Martin; Fleck, Ivor; Fleischmann, Philipp; Fleischmann, Sebastian; Fletcher, Gareth Thomas; Fletcher, Gregory; Flick, Tobias; Floderus, Anders; Flores Castillo, Luis; Flowerdew, Michael; Formica, Andrea; Forti, Alessandra; Fournier, Daniel; Fox, Harald; Fracchia, Silvia; Francavilla, Paolo; Franchini, Matteo; Francis, David; Franconi, Laura; Franklin, Melissa; Fraternali, Marco; Freeborn, David; French, Sky; Friedrich, Felix; Froidevaux, Daniel; Frost, James; Fukunaga, Chikara; Fullana Torregrosa, Esteban; Fulsom, Bryan Gregory; Fuster, Juan; Gabaldon, Carolina; Gabizon, Ofir; Gabrielli, Alessandro; Gabrielli, Andrea; Gadatsch, Stefan; Gadomski, Szymon; Gagliardi, Guido; Gagnon, Pauline; Galea, Cristina; Galhardo, Bruno; Gallas, Elizabeth; Gallop, Bruce; Gallus, Petr; Galster, Gorm Aske Gram Krohn; Gan, KK; Gao, Jun; Gao, Yanyan; Gao, Yongsheng; Garay Walls, Francisca; Garberson, Ford; García, Carmen; García Navarro, José Enrique; Garcia-Sciveres, Maurice; Gardner, Robert; Garelli, Nicoletta; Garonne, Vincent; Gatti, Claudio; Gaudiello, Andrea; Gaudio, Gabriella; Gaur, Bakul; Gauthier, Lea; Gauzzi, Paolo; Gavrilenko, Igor; Gay, Colin; Gaycken, Goetz; Gazis, Evangelos; Ge, Peng; Gecse, Zoltan; Gee, Norman; Geerts, Daniël Alphonsus Adrianus; Geich-Gimbel, Christoph; Geisler, Manuel Patrice; Gemme, Claudia; Genest, Marie-Hélène; Gentile, Simonetta; George, Matthias; George, Simon; Gerbaudo, Davide; Gershon, Avi; Ghazlane, Hamid; Giacobbe, Benedetto; Giagu, Stefano; Giangiobbe, Vincent; Giannetti, Paola; Gibbard, Bruce; Gibson, Stephen; Gilchriese, Murdock; Gillam, Thomas; Gillberg, Dag; Gilles, Geoffrey; Gingrich, Douglas; Giokaris, Nikos; Giordani, MarioPaolo; Giorgi, Filippo Maria; Giorgi, Francesco Michelangelo; Giraud, Pierre-Francois; Giromini, Paolo; Giugni, Danilo; Giuliani, Claudia; Giulini, Maddalena; Gjelsten, Børge Kile; Gkaitatzis, Stamatios; Gkialas, Ioannis; Gkougkousis, Evangelos Leonidas; Gladilin, Leonid; Glasman, Claudia; Glatzer, Julian; Glaysher, Paul; Glazov, Alexandre; Goblirsch-Kolb, Maximilian; Goddard, Jack Robert; Godlewski, Jan; Goldfarb, Steven; Golling, Tobias; Golubkov, Dmitry; Gomes, Agostinho; Gonçalo, Ricardo; Goncalves Pinto Firmino Da Costa, Joao; Gonella, Laura; González de la Hoz, Santiago; Gonzalez Parra, Garoe; Gonzalez-Sevilla, Sergio; Goossens, Luc; Gorbounov, Petr Andreevich; Gordon, Howard; Gorelov, Igor; Gorini, Benedetto; Gorini, Edoardo; Gorišek, Andrej; Gornicki, Edward; Goshaw, Alfred; Gössling, Claus; Gostkin, Mikhail Ivanovitch; Goujdami, Driss; Goussiou, Anna; Govender, Nicolin; Grabas, Herve Marie Xavier; Graber, Lars; Grabowska-Bold, Iwona; Grafström, Per; Grahn, Karl-Johan; Gramling, Johanna; Gramstad, Eirik; Grancagnolo, Sergio; Grassi, Valerio; Gratchev, Vadim; Gray, Heather; Graziani, Enrico; Greenwood, Zeno Dixon; Gregersen, Kristian; Gregor, Ingrid-Maria; Grenier, Philippe; Griffiths, Justin; Grillo, Alexander; Grimm, Kathryn; Grinstein, Sebastian; Gris, Philippe Luc Yves; Grivaz, Jean-Francois; Grohs, Johannes Philipp; Grohsjean, Alexander; Gross, Eilam; Grosse-Knetter, Joern; Grossi, Giulio Cornelio; Grout, Zara Jane; Guan, Liang; Guenther, Jaroslav; Guescini, Francesco; Guest, Daniel; Gueta, Orel; Guido, Elisa; Guillemin, Thibault; Guindon, Stefan; Gul, Umar; Gumpert, Christian; Guo, Jun; Gupta, Shaun; Gutierrez, Phillip; Gutierrez Ortiz, Nicolas Gilberto; Gutschow, Christian; Guyot, Claude; Gwenlan, Claire; Gwilliam, Carl; Haas, Andy; Haber, Carl; Hadavand, Haleh Khani; Haddad, Nacim; Haefner, Petra; Hageböck, Stephan; Hajduk, Zbigniew; Hakobyan, Hrachya; Haleem, Mahsana; Haley, Joseph; Hall, David; Halladjian, Garabed; Hallewell, Gregory David; Hamacher, Klaus; Hamal, Petr; Hamano, Kenji; Hamer, Matthias; Hamilton, Andrew; Hamilton, Samuel; Hamity, Guillermo Nicolas; Hamnett, Phillip George; Han, Liang; Hanagaki, Kazunori; Hanawa, Keita; Hance, Michael; Hanke, Paul; Hanna, Remie; Hansen, Jørgen Beck; Hansen, Jorn Dines; Hansen, Maike Christina; Hansen, Peter Henrik; Hara, Kazuhiko; Hard, Andrew; Harenberg, Torsten; Hariri, Faten; Harkusha, Siarhei; Harrington, Robert; Harrison, Paul Fraser; Hartjes, Fred; Hasegawa, Makoto; Hasegawa, Satoshi; Hasegawa, Yoji; Hasib, A; Hassani, Samira; Haug, Sigve; Hauser, Reiner; Hauswald, Lorenz; Havranek, Miroslav; Hawkes, Christopher; Hawkings, Richard John; Hawkins, Anthony David; Hayashi, Takayasu; Hayden, Daniel; Hays, Chris; Hays, Jonathan Michael; Hayward, Helen; Haywood, Stephen; Head, Simon; Heck, Tobias; Hedberg, Vincent; Heelan, Louise; Heim, Sarah; Heim, Timon; Heinemann, Beate; Heinrich, Lukas; Hejbal, Jiri; Helary, Louis; Hellman, Sten; Hellmich, Dennis; Helsens, Clement; Henderson, James; Henderson, Robert; Heng, Yang; Hengler, Christopher; Henrichs, Anna; Henriques Correia, Ana Maria; Henrot-Versille, Sophie; Herbert, Geoffrey Henry; Hernández Jiménez, Yesenia; Herrberg-Schubert, Ruth; Herten, Gregor; Hertenberger, Ralf; Hervas, Luis; Hesketh, Gavin Grant; Hessey, Nigel; Hetherly, Jeffrey Wayne; Hickling, Robert; Higón-Rodriguez, Emilio; Hill, Ewan; Hill, John; Hiller, Karl Heinz; Hillier, Stephen; Hinchliffe, Ian; Hines, Elizabeth; Hinman, Rachel Reisner; Hirose, Minoru; Hirschbuehl, Dominic; Hobbs, John; Hod, Noam; Hodgkinson, Mark; Hodgson, Paul; Hoecker, Andreas; Hoeferkamp, Martin; Hoenig, Friedrich; Hohlfeld, Marc; Hohn, David; Holmes, Tova Ray; Hong, Tae Min; Hooft van Huysduynen, Loek; Hopkins, Walter; Horii, Yasuyuki; Horton, Arthur James; Hostachy, Jean-Yves; Hou, Suen; Hoummada, Abdeslam; Howard, Jacob; Howarth, James; Hrabovsky, Miroslav; Hristova, Ivana; Hrivnac, Julius; Hryn'ova, Tetiana; Hrynevich, Aliaksei; Hsu, Catherine; Hsu, Pai-hsien Jennifer; Hsu, Shih-Chieh; Hu, Diedi; Hu, Qipeng; Hu, Xueye; Huang, Yanping; Hubacek, Zdenek; Hubaut, Fabrice; Huegging, Fabian; Huffman, Todd Brian; Hughes, Emlyn; Hughes, Gareth; Huhtinen, Mika; Hülsing, Tobias Alexander; Huseynov, Nazim; Huston, Joey; Huth, John; Iacobucci, Giuseppe; Iakovidis, Georgios; Ibragimov, Iskander; Iconomidou-Fayard, Lydia; Ideal, Emma; Idrissi, Zineb; Iengo, Paolo; Igonkina, Olga; Iizawa, Tomoya; Ikegami, Yoichi; Ikematsu, Katsumasa; Ikeno, Masahiro; Ilchenko, Iurii; Iliadis, Dimitrios; Ilic, Nikolina; Inamaru, Yuki; Ince, Tayfun; Ioannou, Pavlos; Iodice, Mauro; Iordanidou, Kalliopi; Ippolito, Valerio; Irles Quiles, Adrian; Isaksson, Charlie; Ishino, Masaya; Ishitsuka, Masaki; Ishmukhametov, Renat; Issever, Cigdem; Istin, Serhat; Iturbe Ponce, Julia Mariana; Iuppa, Roberto; Ivarsson, Jenny; Iwanski, Wieslaw; Iwasaki, Hiroyuki; Izen, Joseph; Izzo, Vincenzo; Jabbar, Samina; Jackson, Brett; Jackson, Matthew; Jackson, Paul; Jaekel, Martin; Jain, Vivek; Jakobs, Karl; Jakobsen, Sune; Jakoubek, Tomas; Jakubek, Jan; Jamin, David Olivier; Jana, Dilip; Jansen, Eric; Jansky, Roland; Janssen, Jens; Janus, Michel; Jarlskog, Göran; Javadov, Namig; Javůrek, Tomáš; Jeanty, Laura; Jejelava, Juansher; Jeng, Geng-yuan; Jennens, David; Jenni, Peter; Jentzsch, Jennifer; Jeske, Carl; Jézéquel, Stéphane; Ji, Haoshuang; Jia, Jiangyong; Jiang, Yi; Jiggins, Stephen; Jimenez Pena, Javier; Jin, Shan; Jinaru, Adam; Jinnouchi, Osamu; Joergensen, Morten Dam; Johansson, Per; Johns, Kenneth; Jon-And, Kerstin; Jones, Graham; Jones, Roger; Jones, Tim; Jongmanns, Jan; Jorge, Pedro; Joshi, Kiran Daniel; Jovicevic, Jelena; Ju, Xiangyang; Jung, Christian; Jussel, Patrick; Juste Rozas, Aurelio; Kaci, Mohammed; Kaczmarska, Anna; Kado, Marumi; Kagan, Harris; Kagan, Michael; Kahn, Sebastien Jonathan; Kajomovitz, Enrique; Kalderon, Charles William; Kama, Sami; Kamenshchikov, Andrey; Kanaya, Naoko; Kaneda, Michiru; Kaneti, Steven; Kantserov, Vadim; Kanzaki, Junichi; Kaplan, Benjamin; Kapliy, Anton; Kar, Deepak; Karakostas, Konstantinos; Karamaoun, Andrew; Karastathis, Nikolaos; Kareem, Mohammad Jawad; Karnevskiy, Mikhail; Karpov, Sergey; Karpova, Zoya; Karthik, Krishnaiyengar; Kartvelishvili, Vakhtang; Karyukhin, Andrey; Kashif, Lashkar; Kass, Richard; Kastanas, Alex; Kataoka, Yousuke; Katre, Akshay; Katzy, Judith; Kawagoe, Kiyotomo; Kawamoto, Tatsuo; Kawamura, Gen; Kazama, Shingo; Kazanin, Vassili; Kazarinov, Makhail; Keeler, Richard; Kehoe, Robert; Keller, John; Kempster, Jacob Julian; Keoshkerian, Houry; Kepka, Oldrich; Kerševan, Borut Paul; Kersten, Susanne; Keyes, Robert; Khalil-zada, Farkhad; Khandanyan, Hovhannes; Khanov, Alexander; Kharlamov, Alexey; Khoo, Teng Jian; Khovanskiy, Valery; Khramov, Evgeniy; Khubua, Jemal; Kim, Hee Yeun; Kim, Hyeon Jin; Kim, Shinhong; Kim, Young-Kee; Kimura, Naoki; Kind, Oliver Maria; King, Barry; King, Matthew; King, Robert Steven Beaufoy; King, Samuel Burton; Kirk, Julie; Kiryunin, Andrey; Kishimoto, Tomoe; Kisielewska, Danuta; Kiss, Florian; Kiuchi, Kenji; Kivernyk, Oleh; Kladiva, Eduard; Klein, Matthew Henry; Klein, Max; Klein, Uta; Kleinknecht, Konrad; Klimek, Pawel; Klimentov, Alexei; Klingenberg, Reiner; Klinger, Joel Alexander; Klioutchnikova, Tatiana; Klok, Peter; Kluge, Eike-Erik; Kluit, Peter; Kluth, Stefan; Kneringer, Emmerich; Knoops, Edith; Knue, Andrea; Kobayashi, Aine; Kobayashi, Dai; Kobayashi, Tomio; Kobel, Michael; Kocian, Martin; Kodys, Peter; Koffas, Thomas; Koffeman, Els; Kogan, Lucy Anne; Kohlmann, Simon; Kohout, Zdenek; Kohriki, Takashi; Koi, Tatsumi; Kolanoski, Hermann; Koletsou, Iro; Komar, Aston; Komori, Yuto; Kondo, Takahiko; Kondrashova, Nataliia; Köneke, Karsten; König, Adriaan; König, Sebastian; Kono, Takanori; Konoplich, Rostislav; Konstantinidis, Nikolaos; Kopeliansky, Revital; Koperny, Stefan; Köpke, Lutz; Kopp, Anna Katharina; Korcyl, Krzysztof; Kordas, Kostantinos; Korn, Andreas; Korol, Aleksandr; Korolkov, Ilya; Korolkova, Elena; Kortner, Oliver; Kortner, Sandra; Kosek, Tomas; Kostyukhin, Vadim; Kotov, Vladislav; Kotwal, Ashutosh; Kourkoumeli-Charalampidi, Athina; Kourkoumelis, Christine; Kouskoura, Vasiliki; Koutsman, Alex; Kowalewski, Robert Victor; Kowalski, Tadeusz; Kozanecki, Witold; Kozhin, Anatoly; Kramarenko, Viktor; Kramberger, Gregor; Krasnopevtsev, Dimitriy; Krasny, Mieczyslaw Witold; Krasznahorkay, Attila; Kraus, Jana; Kravchenko, Anton; Kreiss, Sven; Kretz, Moritz; Kretzschmar, Jan; Kreutzfeldt, Kristof; Krieger, Peter; Krizka, Karol; Kroeninger, Kevin; Kroha, Hubert; Kroll, Joe; Kroseberg, Juergen; Krstic, Jelena; Kruchonak, Uladzimir; Krüger, Hans; Krumnack, Nils; Krumshteyn, Zinovii; Kruse, Amanda; Kruse, Mark; Kruskal, Michael; Kubota, Takashi; Kucuk, Hilal; Kuday, Sinan; Kuehn, Susanne; Kugel, Andreas; Kuger, Fabian; Kuhl, Andrew; Kuhl, Thorsten; Kukhtin, Victor; Kulchitsky, Yuri; Kuleshov, Sergey; Kuna, Marine; Kunigo, Takuto; Kupco, Alexander; Kurashige, Hisaya; Kurochkin, Yurii; Kurumida, Rie; Kus, Vlastimil; Kuwertz, Emma Sian; Kuze, Masahiro; Kvita, Jiri; Kwan, Tony; Kyriazopoulos, Dimitrios; La Rosa, Alessandro; La Rosa Navarro, Jose Luis; La Rotonda, Laura; Lacasta, Carlos; Lacava, Francesco; Lacey, James; Lacker, Heiko; Lacour, Didier; Lacuesta, Vicente Ramón; Ladygin, Evgueni; Lafaye, Remi; Laforge, Bertrand; Lagouri, Theodota; Lai, Stanley; Lambourne, Luke; Lammers, Sabine; Lampen, Caleb; Lampl, Walter; Lançon, Eric; Landgraf, Ulrich; Landon, Murrough; Lang, Valerie Susanne; Lange, J örn Christian; Lankford, Andrew; Lanni, Francesco; Lantzsch, Kerstin; Laplace, Sandrine; Lapoire, Cecile; Laporte, Jean-Francois; Lari, Tommaso; Lasagni Manghi, Federico; Lassnig, Mario; Laurelli, Paolo; Lavrijsen, Wim; Law, Alexander; Laycock, Paul; Le Dortz, Olivier; Le Guirriec, Emmanuel; Le Menedeu, Eve; LeBlanc, Matthew Edgar; LeCompte, Thomas; Ledroit-Guillon, Fabienne Agnes Marie; Lee, Claire, Alexandra; Lee, Shih-Chang; Lee, Lawrence; Lefebvre, Guillaume; Lefebvre, Michel; Legger, Federica; Leggett, Charles; Lehan, Allan; Lehmann Miotto, Giovanna; Lei, Xiaowen; Leight, William Axel; Leisos, Antonios; Leister, Andrew Gerard; Leite, Marco Aurelio Lisboa; Leitner, Rupert; Lellouch, Daniel; Lemmer, Boris; Leney, Katharine; Lenz, Tatjana; Lenzi, Bruno; Leone, Robert; Leone, Sandra; Leonidopoulos, Christos; Leontsinis, Stefanos; Leroy, Claude; Lester, Christopher; Levchenko, Mikhail; Levêque, Jessica; Levin, Daniel; Levinson, Lorne; Levy, Mark; Lewis, Adrian; Leyko, Agnieszka; Leyton, Michael; Li, Bing; Li, Haifeng; Li, Ho Ling; Li, Lei; Li, Liang; Li, Shu; Li, Yichen; Liang, Zhijun; Liao, Hongbo; Liberti, Barbara; Liblong, Aaron; Lichard, Peter; Lie, Ki; Liebal, Jessica; Liebig, Wolfgang; Limbach, Christian; Limosani, Antonio; Lin, Simon; Lin, Tai-Hua; Linde, Frank; Lindquist, Brian Edward; Linnemann, James; Lipeles, Elliot; Lipniacka, Anna; Lisovyi, Mykhailo; Liss, Tony; Lissauer, David; Lister, Alison; Litke, Alan; Liu, Bo; Liu, Dong; Liu, Jian; Liu, Jianbei; Liu, Kun; Liu, Lulu; Liu, Miaoyuan; Liu, Minghui; Liu, Yanwen; Livan, Michele; Lleres, Annick; Llorente Merino, Javier; Lloyd, Stephen; Lo Sterzo, Francesco; Lobodzinska, Ewelina; Loch, Peter; Lockman, William; Loebinger, Fred; Loevschall-Jensen, Ask Emil; Loginov, Andrey; Lohse, Thomas; Lohwasser, Kristin; Lokajicek, Milos; Long, Brian Alexander; Long, Jonathan; Long, Robin Eamonn; Looper, Kristina Anne; Lopes, Lourenco; Lopez Mateos, David; Lopez Paredes, Brais; Lopez Paz, Ivan; Lorenz, Jeanette; Lorenzo Martinez, Narei; Losada, Marta; Loscutoff, Peter; Lösel, Philipp Jonathan; Lou, XinChou; Lounis, Abdenour; Love, Jeremy; Love, Peter; Lu, Nan; Lubatti, Henry; Luci, Claudio; Lucotte, Arnaud; Luehring, Frederick; Lukas, Wolfgang; Luminari, Lamberto; Lundberg, Olof; Lund-Jensen, Bengt; Lynn, David; Lysak, Roman; Lytken, Else; Ma, Hong; Ma, Lian Liang; Maccarrone, Giovanni; Macchiolo, Anna; Macdonald, Calum Michael; Machado Miguens, Joana; Macina, Daniela; Madaffari, Daniele; Madar, Romain; Maddocks, Harvey Jonathan; Mader, Wolfgang; Madsen, Alexander; Maeland, Steffen; Maeno, Tadashi; Maevskiy, Artem; Magradze, Erekle; Mahboubi, Kambiz; Mahlstedt, Joern; Maiani, Camilla; Maidantchik, Carmen; Maier, Andreas Alexander; Maier, Thomas; Maio, Amélia; Majewski, Stephanie; Makida, Yasuhiro; Makovec, Nikola; Malaescu, Bogdan; Malecki, Pawel; Maleev, Victor; Malek, Fairouz; Mallik, Usha; Malon, David; Malone, Caitlin; Maltezos, Stavros; Malyshev, Vladimir; Malyukov, Sergei; Mamuzic, Judita; Mancini, Giada; Mandelli, Beatrice; Mandelli, Luciano; Mandić, Igor; Mandrysch, Rocco; Maneira, José; Manfredini, Alessandro; Manhaes de Andrade Filho, Luciano; Manjarres Ramos, Joany; Mann, Alexander; Manning, Peter; Manousakis-Katsikakis, Arkadios; Mansoulie, Bruno; Mantifel, Rodger; Mantoani, Matteo; Mapelli, Livio; March, Luis; Marchiori, Giovanni; Marcisovsky, Michal; Marino, Christopher; Marjanovic, Marija; Marroquim, Fernando; Marsden, Stephen Philip; Marshall, Zach; Marti, Lukas Fritz; Marti-Garcia, Salvador; Martin, Brian; Martin, Tim; Martin, Victoria Jane; Martin dit Latour, Bertrand; Martinez, Mario; Martin-Haugh, Stewart; Martoiu, Victor Sorin; Martyniuk, Alex; Marx, Marilyn; Marzano, Francesco; Marzin, Antoine; Masetti, Lucia; Mashimo, Tetsuro; Mashinistov, Ruslan; Masik, Jiri; Maslennikov, Alexey; Massa, Ignazio; Massa, Lorenzo; Massol, Nicolas; Mastrandrea, Paolo; Mastroberardino, Anna; Masubuchi, Tatsuya; Mättig, Peter; Mattmann, Johannes; Maurer, Julien; Maxfield, Stephen; Maximov, Dmitriy; Mazini, Rachid; Mazza, Simone Michele; Mazzaferro, Luca; Mc Goldrick, Garrin; Mc Kee, Shawn Patrick; McCarn, Allison; McCarthy, Robert; McCarthy, Tom; McCubbin, Norman; McFarlane, Kenneth; Mcfayden, Josh; Mchedlidze, Gvantsa; McMahon, Steve; McPherson, Robert; Medinnis, Michael; Meehan, Samuel; Mehlhase, Sascha; Mehta, Andrew; Meier, Karlheinz; Meineck, Christian; Meirose, Bernhard; Mellado Garcia, Bruce Rafael; Meloni, Federico; Mengarelli, Alberto; Menke, Sven; Meoni, Evelin; Mercurio, Kevin Michael; Mergelmeyer, Sebastian; Mermod, Philippe; Merola, Leonardo; Meroni, Chiara; Merritt, Frank; Messina, Andrea; Metcalfe, Jessica; Mete, Alaettin Serhan; Meyer, Carsten; Meyer, Christopher; Meyer, Jean-Pierre; Meyer, Jochen; Middleton, Robin; Miglioranzi, Silvia; Mijović, Liza; Mikenberg, Giora; Mikestikova, Marcela; Mikuž, Marko; Milesi, Marco; Milic, Adriana; Miller, David; Mills, Corrinne; Milov, Alexander; Milstead, David; Minaenko, Andrey; Minami, Yuto; Minashvili, Irakli; Mincer, Allen; Mindur, Bartosz; Mineev, Mikhail; Ming, Yao; Mir, Lluisa-Maria; Mitani, Takashi; Mitrevski, Jovan; Mitsou, Vasiliki A; Miucci, Antonio; Miyagawa, Paul; Mjörnmark, Jan-Ulf; Moa, Torbjoern; Mochizuki, Kazuya; Mohapatra, Soumya; Mohr, Wolfgang; Molander, Simon; Moles-Valls, Regina; Mönig, Klaus; Monini, Caterina; Monk, James; Monnier, Emmanuel; Montejo Berlingen, Javier; Monticelli, Fernando; Monzani, Simone; Moore, Roger; Morange, Nicolas; Moreno, Deywis; Moreno Llácer, María; Morettini, Paolo; Morgenstern, Marcus; Morii, Masahiro; Morinaga, Masahiro; Morisbak, Vanja; Moritz, Sebastian; Morley, Anthony Keith; Mornacchi, Giuseppe; Morris, John; Mortensen, Simon Stark; Morton, Alexander; Morvaj, Ljiljana; Moser, Hans-Guenther; Mosidze, Maia; Moss, Josh; Motohashi, Kazuki; Mount, Richard; Mountricha, Eleni; Mouraviev, Sergei; Moyse, Edward; Muanza, Steve; Mudd, Richard; Mueller, Felix; Mueller, James; Mueller, Klemens; Mueller, Ralph Soeren Peter; Mueller, Thibaut; Muenstermann, Daniel; Mullen, Paul; Munwes, Yonathan; Murillo Quijada, Javier Alberto; Murray, Bill; Musheghyan, Haykuhi; Musto, Elisa; Myagkov, Alexey; Myska, Miroslav; Nackenhorst, Olaf; Nadal, Jordi; Nagai, Koichi; Nagai, Ryo; Nagai, Yoshikazu; Nagano, Kunihiro; Nagarkar, Advait; Nagasaka, Yasushi; Nagata, Kazuki; Nagel, Martin; Nagy, Elemer; Nairz, Armin Michael; Nakahama, Yu; Nakamura, Koji; Nakamura, Tomoaki; Nakano, Itsuo; Namasivayam, Harisankar; Naranjo Garcia, Roger Felipe; Narayan, Rohin; Naumann, Thomas; Navarro, Gabriela; Nayyar, Ruchika; Neal, Homer; Nechaeva, Polina; Neep, Thomas James; Nef, Pascal Daniel; Negri, Andrea; Negrini, Matteo; Nektarijevic, Snezana; Nellist, Clara; Nelson, Andrew; Nemecek, Stanislav; Nemethy, Peter; Nepomuceno, Andre Asevedo; Nessi, Marzio; Neubauer, Mark; Neumann, Manuel; Neves, Ricardo; Nevski, Pavel; Newman, Paul; Nguyen, Duong Hai; Nickerson, Richard; Nicolaidou, Rosy; Nicquevert, Bertrand; Nielsen, Jason; Nikiforou, Nikiforos; Nikiforov, Andriy; Nikolaenko, Vladimir; Nikolic-Audit, Irena; Nikolopoulos, Konstantinos; Nilsen, Jon Kerr; Nilsson, Paul; Ninomiya, Yoichi; Nisati, Aleandro; Nisius, Richard; Nobe, Takuya; Nomachi, Masaharu; Nomidis, Ioannis; Nooney, Tamsin; Norberg, Scarlet; Nordberg, Markus; Novgorodova, Olga; Nowak, Sebastian; Nozaki, Mitsuaki; Nozka, Libor; Ntekas, Konstantinos; Nunes Hanninger, Guilherme; Nunnemann, Thomas; Nurse, Emily; Nuti, Francesco; O'Brien, Brendan Joseph; O'grady, Fionnbarr; O'Neil, Dugan; O'Shea, Val; Oakham, Gerald; Oberlack, Horst; Obermann, Theresa; Ocariz, Jose; Ochi, Atsuhiko; Ochoa, Ines; Oda, Susumu; Odaka, Shigeru; Ogren, Harold; Oh, Alexander; Oh, Seog; Ohm, Christian; Ohman, Henrik; Oide, Hideyuki; Okamura, Wataru; Okawa, Hideki; Okumura, Yasuyuki; Okuyama, Toyonobu; Olariu, Albert; Olivares Pino, Sebastian Andres; Oliveira Damazio, Denis; Oliver Garcia, Elena; Olszewski, Andrzej; Olszowska, Jolanta; Onofre, António; Onyisi, Peter; Oram, Christopher; Oreglia, Mark; Oren, Yona; Orestano, Domizia; Orlando, Nicola; Oropeza Barrera, Cristina; Orr, Robert; Osculati, Bianca; Ospanov, Rustem; Otero y Garzon, Gustavo; Otono, Hidetoshi; Ouchrif, Mohamed; Ouellette, Eric; Ould-Saada, Farid; Ouraou, Ahmimed; Oussoren, Koen Pieter; Ouyang, Qun; Ovcharova, Ana; Owen, Mark; Owen, Rhys Edward; Ozcan, Veysi Erkcan; Ozturk, Nurcan; Pachal, Katherine; Pacheco Pages, Andres; Padilla Aranda, Cristobal; Pagáčová, Martina; Pagan Griso, Simone; Paganis, Efstathios; Pahl, Christoph; Paige, Frank; Pais, Preema; Pajchel, Katarina; Palacino, Gabriel; Palestini, Sandro; Palka, Marek; Pallin, Dominique; Palma, Alberto; Pan, Yibin; Panagiotopoulou, Evgenia; Pandini, Carlo Enrico; Panduro Vazquez, William; Pani, Priscilla; Panitkin, Sergey; Paolozzi, Lorenzo; Papadopoulou, Theodora; Papageorgiou, Konstantinos; Paramonov, Alexander; Paredes Hernandez, Daniela; Parker, Michael Andrew; Parker, Kerry Ann; Parodi, Fabrizio; Parsons, John; Parzefall, Ulrich; Pasqualucci, Enrico; Passaggio, Stefano; Pastore, Fernanda; Pastore, Francesca; Pásztor, Gabriella; Pataraia, Sophio; Patel, Nikhul; Pater, Joleen; Pauly, Thilo; Pearce, James; Pearson, Benjamin; Pedersen, Lars Egholm; Pedersen, Maiken; Pedraza Lopez, Sebastian; Pedro, Rute; Peleganchuk, Sergey; Pelikan, Daniel; Peng, Haiping; Penning, Bjoern; Penwell, John; Perepelitsa, Dennis; Perez Codina, Estel; Pérez García-Estañ, María Teresa; Perini, Laura; Pernegger, Heinz; Perrella, Sabrina; Peschke, Richard; Peshekhonov, Vladimir; Peters, Krisztian; Peters, Yvonne; Petersen, Brian; Petersen, Troels; Petit, Elisabeth; Petridis, Andreas; Petridou, Chariclia; Petrolo, Emilio; Petrucci, Fabrizio; Pettersson, Nora Emilia; Pezoa, Raquel; Phillips, Peter William; Piacquadio, Giacinto; Pianori, Elisabetta; Picazio, Attilio; Piccaro, Elisa; Piccinini, Maurizio; Pickering, Mark Andrew; Piegaia, Ricardo; Pignotti, David; Pilcher, James; Pilkington, Andrew; Pina, João Antonio; Pinamonti, Michele; Pinfold, James; Pingel, Almut; Pinto, Belmiro; Pires, Sylvestre; Pitt, Michael; Pizio, Caterina; Plazak, Lukas; Pleier, Marc-Andre; Pleskot, Vojtech; Plotnikova, Elena; Plucinski, Pawel; Pluth, Daniel; Poettgen, Ruth; Poggioli, Luc; Pohl, David-leon; Polesello, Giacomo; Policicchio, Antonio; Polifka, Richard; Polini, Alessandro; Pollard, Christopher Samuel; Polychronakos, Venetios; Pommès, Kathy; Pontecorvo, Ludovico; Pope, Bernard; Popeneciu, Gabriel Alexandru; Popovic, Dragan; Poppleton, Alan; Pospisil, Stanislav; Potamianos, Karolos; Potrap, Igor; Potter, Christina; Potter, Christopher; Poulard, Gilbert; Poveda, Joaquin; Pozdnyakov, Valery; Pralavorio, Pascal; Pranko, Aliaksandr; Prasad, Srivas; Prell, Soeren; Price, Darren; Price, Lawrence; Primavera, Margherita; Prince, Sebastien; Proissl, Manuel; Prokofiev, Kirill; Prokoshin, Fedor; Protopapadaki, Eftychia-sofia; Protopopescu, Serban; Proudfoot, James; Przybycien, Mariusz; Ptacek, Elizabeth; Puddu, Daniele; Pueschel, Elisa; Puldon, David; Purohit, Milind; Puzo, Patrick; Qian, Jianming; Qin, Gang; Qin, Yang; Quadt, Arnulf; Quarrie, David; Quayle, William; Queitsch-Maitland, Michaela; Quilty, Donnchadha; Raddum, Silje; Radeka, Veljko; Radescu, Voica; Radhakrishnan, Sooraj Krishnan; Radloff, Peter; Rados, Pere; Ragusa, Francesco; Rahal, Ghita; Rajagopalan, Srinivasan; Rammensee, Michael; Rangel-Smith, Camila; Rauscher, Felix; Rave, Stefan; Ravenscroft, Thomas; Raymond, Michel; Read, Alexander Lincoln; Readioff, Nathan Peter; Rebuzzi, Daniela; Redelbach, Andreas; Redlinger, George; Reece, Ryan; Reeves, Kendall; Rehnisch, Laura; Reisin, Hernan; Relich, Matthew; Rembser, Christoph; Ren, Huan; Renaud, Adrien; Rescigno, Marco; Resconi, Silvia; Rezanova, Olga; Reznicek, Pavel; Rezvani, Reyhaneh; Richter, Robert; Richter, Stefan; Richter-Was, Elzbieta; Ricken, Oliver; Ridel, Melissa; Rieck, Patrick; Riegel, Christian Johann; Rieger, Julia; Rijssenbeek, Michael; Rimoldi, Adele; Rinaldi, Lorenzo; Ristić, Branislav; Ritsch, Elmar; Riu, Imma; Rizatdinova, Flera; Rizvi, Eram; Robertson, Steven; Robichaud-Veronneau, Andree; Robinson, Dave; Robinson, James; Robson, Aidan; Roda, Chiara; Roe, Shaun; Røhne, Ole; Rolli, Simona; Romaniouk, Anatoli; Romano, Marino; Romano Saez, Silvestre Marino; Romero Adam, Elena; Rompotis, Nikolaos; Ronzani, Manfredi; Roos, Lydia; Ros, Eduardo; Rosati, Stefano; Rosbach, Kilian; Rose, Peyton; Rosendahl, Peter Lundgaard; Rosenthal, Oliver; Rossetti, Valerio; Rossi, Elvira; Rossi, Leonardo Paolo; Rosten, Rachel; Rotaru, Marina; Roth, Itamar; Rothberg, Joseph; Rousseau, David; Royon, Christophe; Rozanov, Alexandre; Rozen, Yoram; Ruan, Xifeng; Rubbo, Francesco; Rubinskiy, Igor; Rud, Viacheslav; Rudolph, Christian; Rudolph, Matthew Scott; Rühr, Frederik; Ruiz-Martinez, Aranzazu; Rurikova, Zuzana; Rusakovich, Nikolai; Ruschke, Alexander; Russell, Heather; Rutherfoord, John; Ruthmann, Nils; Ryabov, Yury; Rybar, Martin; Rybkin, Grigori; Ryder, Nick; Saavedra, Aldo; Sabato, Gabriele; Sacerdoti, Sabrina; Saddique, Asif; Sadrozinski, Hartmut; Sadykov, Renat; Safai Tehrani, Francesco; Saimpert, Matthias; Sakamoto, Hiroshi; Sakurai, Yuki; Salamanna, Giuseppe; Salamon, Andrea; Saleem, Muhammad; Salek, David; Sales De Bruin, Pedro Henrique; Salihagic, Denis; Salnikov, Andrei; Salt, José; Salvatore, Daniela; Salvatore, Pasquale Fabrizio; Salvucci, Antonio; Salzburger, Andreas; Sampsonidis, Dimitrios; Sanchez, Arturo; Sánchez, Javier; Sanchez Martinez, Victoria; Sandaker, Heidi; Sandbach, Ruth Laura; Sander, Heinz Georg; Sanders, Michiel; Sandhoff, Marisa; Sandoval, Carlos; Sandstroem, Rikard; Sankey, Dave; Sannino, Mario; Sansoni, Andrea; Santoni, Claudio; Santonico, Rinaldo; Santos, Helena; Santoyo Castillo, Itzebelt; Sapp, Kevin; Sapronov, Andrey; Saraiva, João; Sarrazin, Bjorn; Sasaki, Osamu; Sasaki, Yuichi; Sato, Koji; Sauvage, Gilles; Sauvan, Emmanuel; Savage, Graham; Savard, Pierre; Sawyer, Craig; Sawyer, Lee; Saxon, James; Sbarra, Carla; Sbrizzi, Antonio; Scanlon, Tim; Scannicchio, Diana; Scarcella, Mark; Scarfone, Valerio; Schaarschmidt, Jana; Schacht, Peter; Schaefer, Douglas; Schaefer, Ralph; Schaeffer, Jan; Schaepe, Steffen; Schaetzel, Sebastian; Schäfer, Uli; Schaffer, Arthur; Schaile, Dorothee; Schamberger, R~Dean; Scharf, Veit; Schegelsky, Valery; Scheirich, Daniel; Schernau, Michael; Schiavi, Carlo; Schillo, Christian; Schioppa, Marco; Schlenker, Stefan; Schmidt, Evelyn; Schmieden, Kristof; Schmitt, Christian; Schmitt, Sebastian; Schmitt, Stefan; Schneider, Basil; Schnellbach, Yan Jie; Schnoor, Ulrike; Schoeffel, Laurent; Schoening, Andre; Schoenrock, Bradley Daniel; Schopf, Elisabeth; Schorlemmer, Andre Lukas; Schott, Matthias; Schouten, Doug; Schovancova, Jaroslava; Schramm, Steven; Schreyer, Manuel; Schroeder, Christian; Schuh, Natascha; Schultens, Martin Johannes; Schultz-Coulon, Hans-Christian; Schulz, Holger; Schumacher, Markus; Schumm, Bruce; Schune, Philippe; Schwanenberger, Christian; Schwartzman, Ariel; Schwarz, Thomas Andrew; Schwegler, Philipp; Schwemling, Philippe; Schwienhorst, Reinhard; Schwindling, Jerome; Schwindt, Thomas; Schwoerer, Maud; Sciacca, Gianfranco; Scifo, Estelle; Sciolla, Gabriella; Scuri, Fabrizio; Scutti, Federico; Searcy, Jacob; Sedov, George; Sedykh, Evgeny; Seema, Pienpen; Seidel, Sally; Seiden, Abraham; Seifert, Frank; Seixas, José; Sekhniaidze, Givi; Sekhon, Karishma; Sekula, Stephen; Selbach, Karoline Elfriede; Seliverstov, Dmitry; Semprini-Cesari, Nicola; Serfon, Cedric; Serin, Laurent; Serkin, Leonid; Serre, Thomas; Sessa, Marco; Seuster, Rolf; Severini, Horst; Sfiligoj, Tina; Sforza, Federico; Sfyrla, Anna; Shabalina, Elizaveta; Shamim, Mansoora; Shan, Lianyou; Shang, Ruo-yu; Shank, James; Shapiro, Marjorie; Shatalov, Pavel; Shaw, Kate; Shaw, Savanna Marie; Shcherbakova, Anna; Shehu, Ciwake Yusufu; Sherwood, Peter; Shi, Liaoshan; Shimizu, Shima; Shimmin, Chase Owen; Shimojima, Makoto; Shiyakova, Mariya; Shmeleva, Alevtina; Shoaleh Saadi, Diane; Shochet, Mel; Shojaii, Seyedruhollah; Shrestha, Suyog; Shulga, Evgeny; Shupe, Michael; Shushkevich, Stanislav; Sicho, Petr; Sidiropoulou, Ourania; Sidorov, Dmitri; Sidoti, Antonio; Siegert, Frank; Sijacki, Djordje; Silva, José; Silver, Yiftah; Silverstein, Samuel; Simak, Vladislav; Simard, Olivier; Simic, Ljiljana; Simion, Stefan; Simioni, Eduard; Simmons, Brinick; Simon, Dorian; Simoniello, Rosa; Sinervo, Pekka; Sinev, Nikolai; Siragusa, Giovanni; Sisakyan, Alexei; Sivoklokov, Serguei; Sjölin, Jörgen; Sjursen, Therese; Skinner, Malcolm Bruce; Skottowe, Hugh Philip; Skubic, Patrick; Slater, Mark; Slavicek, Tomas; Slawinska, Magdalena; Sliwa, Krzysztof; Smakhtin, Vladimir; Smart, Ben; Smestad, Lillian; Smirnov, Sergei; Smirnov, Yury; Smirnova, Lidia; Smirnova, Oxana; Smith, Matthew; Smizanska, Maria; Smolek, Karel; Snesarev, Andrei; Snidero, Giacomo; Snyder, Scott; Sobie, Randall; Socher, Felix; Soffer, Abner; Soh, Dart-yin; Solans, Carlos; Solar, Michael; Solc, Jaroslav; Soldatov, Evgeny; Soldevila, Urmila; Solodkov, Alexander; Soloshenko, Alexei; Solovyanov, Oleg; Solovyev, Victor; Sommer, Philip; Song, Hong Ye; Soni, Nitesh; Sood, Alexander; Sopczak, Andre; Sopko, Bruno; Sopko, Vit; Sorin, Veronica; Sosa, David; Sosebee, Mark; Sotiropoulou, Calliope Louisa; Soualah, Rachik; Soueid, Paul; Soukharev, Andrey; South, David; Spagnolo, Stefania; Spalla, Margherita; Spanò, Francesco; Spearman, William Robert; Spettel, Fabian; Spighi, Roberto; Spigo, Giancarlo; Spiller, Laurence Anthony; Spousta, Martin; Spreitzer, Teresa; St Denis, Richard Dante; Staerz, Steffen; Stahlman, Jonathan; Stamen, Rainer; Stamm, Soren; Stanecka, Ewa; Stanescu, Cristian; Stanescu-Bellu, Madalina; Stanitzki, Marcel Michael; Stapnes, Steinar; Starchenko, Evgeny; Stark, Jan; Staroba, Pavel; Starovoitov, Pavel; Staszewski, Rafal; Stavina, Pavel; Steinberg, Peter; Stelzer, Bernd; Stelzer, Harald Joerg; Stelzer-Chilton, Oliver; Stenzel, Hasko; Stern, Sebastian; Stewart, Graeme; Stillings, Jan Andre; Stockton, Mark; Stoebe, Michael; Stoicea, Gabriel; Stolte, Philipp; Stonjek, Stefan; Stradling, Alden; Straessner, Arno; Stramaglia, Maria Elena; Strandberg, Jonas; Strandberg, Sara; Strandlie, Are; Strauss, Emanuel; Strauss, Michael; Strizenec, Pavol; Ströhmer, Raimund; Strom, David; Stroynowski, Ryszard; Strubig, Antonia; Stucci, Stefania Antonia; Stugu, Bjarne; Styles, Nicholas Adam; Su, Dong; Su, Jun; Subramaniam, Rajivalochan; Succurro, Antonella; Sugaya, Yorihito; Suhr, Chad; Suk, Michal; Sulin, Vladimir; Sultansoy, Saleh; Sumida, Toshi; Sun, Siyuan; Sun, Xiaohu; Sundermann, Jan Erik; Suruliz, Kerim; Susinno, Giancarlo; Sutton, Mark; Suzuki, Shota; Suzuki, Yu; Svatos, Michal; Swedish, Stephen; Swiatlowski, Maximilian; Sykora, Ivan; Sykora, Tomas; Ta, Duc; Taccini, Cecilia; Tackmann, Kerstin; Taenzer, Joe; Taffard, Anyes; Tafirout, Reda; Taiblum, Nimrod; Takai, Helio; Takashima, Ryuichi; Takeda, Hiroshi; Takeshita, Tohru; Takubo, Yosuke; Talby, Mossadek; Talyshev, Alexey; Tam, Jason; Tan, Kong Guan; Tanaka, Junichi; Tanaka, Reisaburo; Tanaka, Shuji; Tannenwald, Benjamin Bordy; Tannoury, Nancy; Tapprogge, Stefan; Tarem, Shlomit; Tarrade, Fabien; Tartarelli, Giuseppe Francesco; Tas, Petr; Tasevsky, Marek; Tashiro, Takuya; Tassi, Enrico; Tavares Delgado, Ademar; Tayalati, Yahya; Taylor, Frank; Taylor, Geoffrey; Taylor, Wendy; Teischinger, Florian Alfred; Teixeira Dias Castanheira, Matilde; Teixeira-Dias, Pedro; Temming, Kim Katrin; Ten Kate, Herman; Teng, Ping-Kun; Teoh, Jia Jian; Tepel, Fabian-Phillipp; Terada, Susumu; Terashi, Koji; Terron, Juan; Terzo, Stefano; Testa, Marianna; Teuscher, Richard; Therhaag, Jan; Theveneaux-Pelzer, Timothée; Thomas, Juergen; Thomas-Wilsker, Joshuha; Thompson, Emily; Thompson, Paul; Thompson, Ray; Thompson, Stan; Thomsen, Lotte Ansgaard; Thomson, Evelyn; Thomson, Mark; Thun, Rudolf; Tibbetts, Mark James; Ticse Torres, Royer Edson; Tikhomirov, Vladimir; Tikhonov, Yury; Timoshenko, Sergey; Tiouchichine, Elodie; Tipton, Paul; Tisserant, Sylvain; Todorov, Theodore; Todorova-Nova, Sharka; Tojo, Junji; Tokár, Stanislav; Tokushuku, Katsuo; Tollefson, Kirsten; Tolley, Emma; Tomlinson, Lee; Tomoto, Makoto; Tompkins, Lauren; Toms, Konstantin; Torrence, Eric; Torres, Heberth; Torró Pastor, Emma; Toth, Jozsef; Touchard, Francois; Tovey, Daniel; Trefzger, Thomas; Tremblet, Louis; Tricoli, Alessandro; Trigger, Isabel Marian; Trincaz-Duvoid, Sophie; Tripiana, Martin; Trischuk, William; Trocmé, Benjamin; Troncon, Clara; Trottier-McDonald, Michel; Trovatelli, Monica; True, Patrick; Truong, Loan; Trzebinski, Maciej; Trzupek, Adam; Tsarouchas, Charilaos; Tseng, Jeffrey; Tsiareshka, Pavel; Tsionou, Dimitra; Tsipolitis, Georgios; Tsirintanis, Nikolaos; Tsiskaridze, Shota; Tsiskaridze, Vakhtang; Tskhadadze, Edisher; Tsukerman, Ilya; Tsulaia, Vakhtang; Tsuno, Soshi; Tsybychev, Dmitri; Tudorache, Alexandra; Tudorache, Valentina; Tuna, Alexander Naip; Tupputi, Salvatore; Turchikhin, Semen; Turecek, Daniel; Turra, Ruggero; Turvey, Andrew John; Tuts, Michael; Tykhonov, Andrii; Tylmad, Maja; Tyndel, Mike; Ueda, Ikuo; Ueno, Ryuichi; Ughetto, Michael; Ugland, Maren; Uhlenbrock, Mathias; Ukegawa, Fumihiko; Unal, Guillaume; Undrus, Alexander; Unel, Gokhan; Ungaro, Francesca; Unno, Yoshinobu; Unverdorben, Christopher; Urban, Jozef; Urquijo, Phillip; Urrejola, Pedro; Usai, Giulio; Usanova, Anna; Vacavant, Laurent; Vacek, Vaclav; Vachon, Brigitte; Valderanis, Chrysostomos; Valencic, Nika; Valentinetti, Sara; Valero, Alberto; Valery, Loic; Valkar, Stefan; Valladolid Gallego, Eva; Vallecorsa, Sofia; Valls Ferrer, Juan Antonio; Van Den Wollenberg, Wouter; Van Der Deijl, Pieter; van der Geer, Rogier; van der Graaf, Harry; Van Der Leeuw, Robin; van Eldik, Niels; van Gemmeren, Peter; Van Nieuwkoop, Jacobus; van Vulpen, Ivo; van Woerden, Marius Cornelis; Vanadia, Marco; Vandelli, Wainer; Vanguri, Rami; Vaniachine, Alexandre; Vannucci, Francois; Vardanyan, Gagik; Vari, Riccardo; Varnes, Erich; Varol, Tulin; Varouchas, Dimitris; Vartapetian, Armen; Varvell, Kevin; Vazeille, Francois; Vazquez Schroeder, Tamara; Veatch, Jason; Veloso, Filipe; Velz, Thomas; Veneziano, Stefano; Ventura, Andrea; Ventura, Daniel; Venturi, Manuela; Venturi, Nicola; Venturini, Alessio; Vercesi, Valerio; Verducci, Monica; Verkerke, Wouter; Vermeulen, Jos; Vest, Anja; Vetterli, Michel; Viazlo, Oleksandr; Vichou, Irene; Vickey, Trevor; Vickey Boeriu, Oana Elena; Viehhauser, Georg; Viel, Simon; Vigne, Ralph; Villa, Mauro; Villaplana Perez, Miguel; Vilucchi, Elisabetta; Vincter, Manuella; Vinogradov, Vladimir; Vivarelli, Iacopo; Vives Vaque, Francesc; Vlachos, Sotirios; Vladoiu, Dan; Vlasak, Michal; Vogel, Marcelo; Vokac, Petr; Volpi, Guido; Volpi, Matteo; von der Schmitt, Hans; von Radziewski, Holger; von Toerne, Eckhard; Vorobel, Vit; Vorobev, Konstantin; Vos, Marcel; Voss, Rudiger; Vossebeld, Joost; Vranjes, Nenad; Vranjes Milosavljevic, Marija; Vrba, Vaclav; Vreeswijk, Marcel; Vuillermet, Raphael; Vukotic, Ilija; Vykydal, Zdenek; Wagner, Peter; Wagner, Wolfgang; Wahlberg, Hernan; Wahrmund, Sebastian; Wakabayashi, Jun; Walder, James; Walker, Rodney; Walkowiak, Wolfgang; Wang, Chao; Wang, Fuquan; Wang, Haichen; Wang, Hulin; Wang, Jike; Wang, Jin; Wang, Kuhan; Wang, Rui; Wang, Song-Ming; Wang, Tan; Wang, Xiaoxiao; Wanotayaroj, Chaowaroj; Warburton, Andreas; Ward, Patricia; Wardrope, David Robert; Warsinsky, Markus; Washbrook, Andrew; Wasicki, Christoph; Watkins, Peter; Watson, Alan; Watson, Ian; Watson, Miriam; Watts, Gordon; Watts, Stephen; Waugh, Ben; Webb, Samuel; Weber, Michele; Weber, Stefan Wolf; Webster, Jordan S; Weidberg, Anthony; Weinert, Benjamin; Weingarten, Jens; Weiser, Christian; Weits, Hartger; Wells, Phillippa; Wenaus, Torre; Wengler, Thorsten; Wenig, Siegfried; Wermes, Norbert; Werner, Matthias; Werner, Per; Wessels, Martin; Wetter, Jeffrey; Whalen, Kathleen; Wharton, Andrew Mark; White, Andrew; White, Martin; White, Ryan; White, Sebastian; Whiteson, Daniel; Wickens, Fred; Wiedenmann, Werner; Wielers, Monika; Wienemann, Peter; Wiglesworth, Craig; Wiik-Fuchs, Liv Antje Mari; Wildauer, Andreas; Wilkens, Henric George; Williams, Hugh; Williams, Sarah; Willis, Christopher; Willocq, Stephane; Wilson, Alan; Wilson, John; Wingerter-Seez, Isabelle; Winklmeier, Frank; Winter, Benedict Tobias; Wittgen, Matthias; Wittkowski, Josephine; Wollstadt, Simon Jakob; Wolter, Marcin Wladyslaw; Wolters, Helmut; Wosiek, Barbara; Wotschack, Jorg; Woudstra, Martin; Wozniak, Krzysztof; Wu, Mengqing; Wu, Miles; Wu, Sau Lan; Wu, Xin; Wu, Yusheng; Wyatt, Terry Richard; Wynne, Benjamin; Xella, Stefania; Xu, Da; Xu, Lailin; Yabsley, Bruce; Yacoob, Sahal; Yakabe, Ryota; Yamada, Miho; Yamaguchi, Yohei; Yamamoto, Akira; Yamamoto, Shimpei; Yamanaka, Takashi; Yamauchi, Katsuya; Yamazaki, Yuji; Yan, Zhen; Yang, Haijun; Yang, Hongtao; Yang, Yi; Yao, Liwen; Yao, Weiming; Yasu, Yoshiji; Yatsenko, Elena; Yau Wong, Kaven Henry; Ye, Jingbo; Ye, Shuwei; Yeletskikh, Ivan; Yen, Andy L; Yildirim, Eda; Yorita, Kohei; Yoshida, Rikutaro; Yoshihara, Keisuke; Young, Charles; Young, Christopher John; Youssef, Saul; Yu, David Ren-Hwa; Yu, Jaehoon; Yu, Jiaming; Yu, Jie; Yuan, Li; Yurkewicz, Adam; Yusuff, Imran; Zabinski, Bartlomiej; Zaidan, Remi; Zaitsev, Alexander; Zalieckas, Justas; Zaman, Aungshuman; Zambito, Stefano; Zanello, Lucia; Zanzi, Daniele; Zeitnitz, Christian; Zeman, Martin; Zemla, Andrzej; Zengel, Keith; Zenin, Oleg; Ženiš, Tibor; Zerwas, Dirk; Zhang, Dongliang; Zhang, Fangzhou; Zhang, Jinlong; Zhang, Lei; Zhang, Ruiqi; Zhang, Xueyao; Zhang, Zhiqing; Zhao, Xiandong; Zhao, Yongke; Zhao, Zhengguo; Zhemchugov, Alexey; Zhong, Jiahang; Zhou, Bing; Zhou, Chen; Zhou, Lei; Zhou, Li; Zhou, Ning; Zhu, Cheng Guang; Zhu, Hongbo; Zhu, Junjie; Zhu, Yingchun; Zhuang, Xuai; Zhukov, Konstantin; Zibell, Andre; Zieminska, Daria; Zimine, Nikolai; Zimmermann, Christoph; Zimmermann, Stephanie; Zinonos, Zinonas; Zinser, Markus; Ziolkowski, Michael; Živković, Lidija; Zobernig, Georg; Zoccoli, Antonio; zur Nedden, Martin; Zurzolo, Giovanni; Zwalinski, Lukasz

    2015-01-01

    A search for a charged Higgs boson, $H^\\pm$, decaying to a $W^\\pm$ boson and a $Z$ boson is presented. The search is based on 20.3 fb$^{-1}$ of proton-proton collision data at a center-of-mass energy of 8 TeV recorded with the ATLAS detector at the LHC. The $H^\\pm$ boson is assumed to be produced via vector-boson fusion and the decays $W^\\pm \\to q\\bar{q^\\prime}$ and $Z\\rightarrow e^+e^-/\\mu^+\\mu^-$ are considered. The search is performed in a range of charged Higgs boson masses from 200 to 1000 GeV. No evidence for the production of an $H^\\pm$ boson is observed. Upper limits of 31--1020 fb at 95\\% CL are placed on the cross section for vector-boson fusion production of an $H^\\pm$ boson times its branching fraction to $W^\\pm Z$. The limits are compared with predictions from the Georgi-Machacek Higgs Triplet Model.

  5. Search for a Charged Higgs Boson Produced in the Vector-Boson Fusion Mode with Decay H(±)→W(±)Z using pp Collisions at √s=8  TeV with the ATLAS Experiment.

    Science.gov (United States)

    Aad, G; Abbott, B; Abdallah, J; Abdinov, O; Aben, R; Abolins, M; AbouZeid, O S; Abramowicz, H; Abreu, H; Abreu, R; Abulaiti, Y; Acharya, B S; Adamczyk, L; Adams, D L; Adelman, J; Adomeit, S; Adye, T; Affolder, A A; Agatonovic-Jovin, T; Aguilar-Saavedra, J A; Ahlen, S P; Ahmadov, F; Aielli, G; Akerstedt, H; Åkesson, T P A; Akimoto, G; Akimov, A V; Alberghi, G L; Albert, J; Albrand, S; Alconada Verzini, M J; Aleksa, M; Aleksandrov, I N; Alexa, C; Alexander, G; Alexopoulos, T; Alhroob, M; Alimonti, G; Alio, L; Alison, J; Alkire, S P; Allbrooke, B M M; Allport, P P; Aloisio, A; Alonso, A; Alonso, F; Alpigiani, C; Altheimer, A; Alvarez Gonzalez, B; Álvarez Piqueras, D; Alviggi, M G; Amadio, B T; Amako, K; Amaral Coutinho, Y; Amelung, C; Amidei, D; Amor Dos Santos, S P; Amorim, A; Amoroso, S; Amram, N; Amundsen, G; Anastopoulos, C; Ancu, L S; Andari, N; Andeen, T; Anders, C F; Anders, G; Anders, J K; Anderson, K J; Andreazza, A; Andrei, V; Angelidakis, S; Angelozzi, I; Anger, P; Angerami, A; Anghinolfi, F; Anisenkov, A V; Anjos, N; Annovi, A; Antonelli, M; Antonov, A; Antos, J; Anulli, F; Aoki, M; Aperio Bella, L; Arabidze, G; Arai, Y; Araque, J P; Arce, A T H; Arduh, F A; Arguin, J-F; Argyropoulos, S; Arik, M; Armbruster, A J; Arnaez, O; Arnal, V; Arnold, H; Arratia, M; Arslan, O; Artamonov, A; Artoni, G; Asai, S; Asbah, N; Ashkenazi, A; Åsman, B; Asquith, L; Assamagan, K; Astalos, R; Atkinson, M; Atlay, N B; Auerbach, B; Augsten, K; Aurousseau, M; Avolio, G; Axen, B; Ayoub, M K; Azuelos, G; Baak, M A; Baas, A E; Bacci, C; Bachacou, H; Bachas, K; Backes, M; Backhaus, M; Badescu, E; Bagiacchi, P; Bagnaia, P; Bai, Y; Bain, T; Baines, J T; Baker, O K; Balek, P; Balestri, T; Balli, F; Banas, E; Banerjee, Sw; Bannoura, A A E; Bansil, H S; Barak, L; Baranov, S P; Barberio, E L; Barberis, D; Barbero, M; Barillari, T; Barisonzi, M; Barklow, T; Barlow, N; Barnes, S L; Barnett, B M; Barnett, R M; Barnovska, Z; Baroncelli, A; Barone, G; Barr, A J; Barreiro, F; Barreiro Guimarães da Costa, J; Bartoldus, R; Barton, A E; Bartos, P; Bassalat, A; Basye, A; Bates, R L; Batista, S J; Batley, J R; Battaglia, M; Bauce, M; Bauer, F; Bawa, H S; Beacham, J B; Beattie, M D; Beau, T; Beauchemin, P H; Beccherle, R; Bechtle, P; Beck, H P; Becker, K; Becker, M; Becker, S; Beckingham, M; Becot, C; Beddall, A J; Beddall, A; Bednyakov, V A; Bee, C P; Beemster, L J; Beermann, T A; Begel, M; Behr, J K; Belanger-Champagne, C; Bell, P J; Bell, W H; Bella, G; Bellagamba, L; Bellerive, A; Bellomo, M; Belotskiy, K; Beltramello, O; Benary, O; Benchekroun, D; Bender, M; Bendtz, K; Benekos, N; Benhammou, Y; Benhar Noccioli, E; Benitez Garcia, J A; Benjamin, D P; Bensinger, J R; Bentvelsen, S; Beresford, L; Beretta, M; Berge, D; Bergeaas Kuutmann, E; Berger, N; Berghaus, F; Beringer, J; Bernard, C; Bernard, N R; Bernius, C; Bernlochner, F U; Berry, T; Berta, P; Bertella, C; Bertoli, G; Bertolucci, F; Bertsche, C; Bertsche, D; Besana, M I; Besjes, G J; Bessidskaia Bylund, O; Bessner, M; Besson, N; Betancourt, C; Bethke, S; Bevan, A J; Bhimji, W; Bianchi, R M; Bianchini, L; Bianco, M; Biebel, O; Bieniek, S P; Biglietti, M; Bilbao De Mendizabal, J; Bilokon, H; Bindi, M; Binet, S; Bingul, A; Bini, C; Black, C W; Black, J E; Black, K M; Blackburn, D; Blair, R E; Blanchard, J-B; Blanco, J E; Blazek, T; Bloch, I; Blocker, C; Blum, W; Blumenschein, U; Bobbink, G J; Bobrovnikov, V S; Bocchetta, S S; Bocci, A; Bock, C; Boehler, M; Bogaerts, J A; Bogdanchikov, A G; Bohm, C; Boisvert, V; Bold, T; Boldea, V; Boldyrev, A S; Bomben, M; Bona, M; Boonekamp, M; Borisov, A; Borissov, G; Borroni, S; Bortfeldt, J; Bortolotto, V; Bos, K; Boscherini, D; Bosman, M; Boudreau, J; Bouffard, J; Bouhova-Thacker, E V; Boumediene, D; Bourdarios, C; Bousson, N; Boveia, A; Boyd, J; Boyko, I R; Bozic, I; Bracinik, J; Brandt, A; Brandt, G; Brandt, O; Bratzler, U; Brau, B; Brau, J E; Braun, H M; Brazzale, S F; Brendlinger, K; Brennan, A J; Brenner, L; Brenner, R; Bressler, S; Bristow, K; Bristow, T M; Britton, D; Britzger, D; Brochu, F M; Brock, I; Brock, R; Bronner, J; Brooijmans, G; Brooks, T; Brooks, W K; Brosamer, J; Brost, E; Brown, J; Bruckman de Renstrom, P A; Bruncko, D; Bruneliere, R; Bruni, A; Bruni, G; Bruschi, M; Bryngemark, L; Buanes, T; Buat, Q; Buchholz, P; Buckley, A G; Buda, S I; Budagov, I A; Buehrer, F; Bugge, L; Bugge, M K; Bulekov, O; Burckhart, H; Burdin, S; Burghgrave, B; Burke, S; Burmeister, I; Busato, E; Büscher, D; Büscher, V; Bussey, P; Buszello, C P; Butler, J M; Butt, A I; Buttar, C M; Butterworth, J M; Butti, P; Buttinger, W; Buzatu, A; Buzykaev, R; Cabrera Urbán, S; Caforio, D; Cairo, V M; Cakir, O; Calafiura, P; Calandri, A; Calderini, G; Calfayan, P; Caloba, L P; Calvet, D; Calvet, S; Camacho Toro, R; Camarda, S; Camarri, P; Cameron, D; Caminada, L M; Caminal Armadans, R; Campana, S

    2015-06-12

    A search for a charged Higgs boson, H(±), decaying to a W(±) boson and a Z boson is presented. The search is based on 20.3  fb(-1) of proton-proton collision data at a center-of-mass energy of 8 TeV recorded with the ATLAS detector at the LHC. The H(±) boson is assumed to be produced via vector-boson fusion and the decays W(±)→qq' and Z→e(+)e(-)/μ(+)μ(-) are considered. The search is performed in a range of charged Higgs boson masses from 200 to 1000 GeV. No evidence for the production of an H(±) boson is observed. Upper limits of 31-1020 fb at 95% C.L. are placed on the cross section for vector-boson fusion production of an H(±) boson times its branching fraction to W(±)Z. The limits are compared with predictions from the Georgi-Machacek Higgs triplet model. PMID:26196792

  6. Biodiesel: o ônus e o bônus de produzir combustível Biodiesel: the charge and the bond of the fuel producing

    Directory of Open Access Journals (Sweden)

    Paulo Regis Ferreira da Silva

    2008-06-01

    do óleo diesel, mas as vantagens ambientais e agrícolas dependem de estudos pendentes em vários elos da cadeia produtiva.The petroleum dependence and the pollution generated by its use are the big disadvantages of this fuel, which demand look for another source of energy. Biodiesel is the fuel obtained from vegetables oils or animal fat, which can substitute petroleum diesel, total or partially. Three processes are possible to obtain biodiesel: cracking, tranesterfication or esterification, having glycerin as a derivate. The Brazilian National Program for Production and Use of Biodiesel stimulates the transesterification process, which is the chemical reaction of the triglycerides with alcohols (methanol or ethanol using a catalyst (NaOH. The goal of this revision was to discuss the advantages and disadvantages that biodiesel production can bring for agriculture and environmental and the competition that could occur for natural resources between food and fuel production. The biodiesel obtained from renewable sources has as advantages the lower pollutant it gases emission and lower persistence in the soil. However, it has a higher cost production than petroleum diesel and the energy balance is less favourable, although it can vary with the system production used. The higher demand for oleaginous grains will increase the number of species used in crop production. In the south of Brazil, the species more stimulated are soybean, sunflower, canola and castor plant. Castor, that is an alternative for drought regions, is being genetically modified for fuel production, but it has the big disadvantage of ricin production, which is very poisonous for human and environment. Sunflower produces a very healthy oil for human use, with high levels of fat poliinsaturated acids. Biodiesel is a good alternative to substitute partial or totally petroleum diesel, but the environmental and agricultural advantages depend on studies in every link of its production chain.

  7. Thermodynamics of TMPC/PSd/Fullerene Nanocomposites: SANS Study

    KAUST Repository

    Chua, Yang-Choo

    2010-11-23

    Wereport a small angle neutron scattering study of the thermodynamics of a polymer mixture in the presence of nanoparticles, both in equilibrium and during phase separation. Neutron cloud point measurements and random phase approximation (RPA) analysis demonstrate that 1-2 mass % of C60 fullerenes destabilizes a highly interacting mixture of poly(tetramethyl bisphenol A polycarbonate) and deuterated polystyrene (TMPC/PSd). We unequivocally corroborate these findings with time-resolved temperature jump experiments that, in identical conditions, result in phase separation for the nanocomposite and stability for the neat polymer mixture. At lower C 60 loadings (viz. 0.2-0.5 mass %), stabilization of the mixture is observed. The nonmonotonic variation of the spinodal temperature with fullerene addition suggests a competitive interplay of asymmetric component interactions and nanoparticle dispersion. The stability line shift depends critically on particle dispersion and vanishes upon nanoparticle agglomeration. © 2010 American Chemical Society.

  8. Fullerene thin-film transistors fabricated on polymeric gate dielectric

    Energy Technology Data Exchange (ETDEWEB)

    Puigdollers, J. [Micro and Nano Technology Group (MNT), Dept. Enginyeria Electronica, Universitat Politecnica Catalunya, C/ Jordi Girona 1-3, Modul C4, 08034-Barcelona (Spain)], E-mail: jpuigd@eel.upc.edu; Voz, C. [Micro and Nano Technology Group (MNT), Dept. Enginyeria Electronica, Universitat Politecnica Catalunya, C/ Jordi Girona 1-3, Modul C4, 08034-Barcelona (Spain); Cheylan, S. [ICFO - Mediterranean Technology Park, Avda del Canal Olimpic s/n, 08860-Castelldefels (Spain); Orpella, A.; Vetter, M.; Alcubilla, R. [Micro and Nano Technology Group (MNT), Dept. Enginyeria Electronica, Universitat Politecnica Catalunya, C/ Jordi Girona 1-3, Modul C4, 08034-Barcelona (Spain)

    2007-07-16

    Thin-film transistors with fullerene as n-type organic semiconductor have been fabricated. A polymeric gate dielectric, polymethyl methacrylate, has been used as an alternative to usual inorganic dielectrics. No significant differences in the microstructure of fullerene thin-films grown on polymethyl methacrylate were observed. Devices with either gold or aluminium top electrodes have been fabricated. Although the lower work-function of aluminium compared to gold should favour electron injection, similar field-effect mobilities in the range of 10{sup -2} cm{sup 2} V{sup -1} s{sup -1} were achieved in both cases. Actually, the output characteristics indicate that organic thin-film transistors behave more linearly with gold than with aluminium electrodes. These results confirm that not only energy barriers determine carrier injection at metal/organic interfaces, but also chemical interactions.

  9. Determination of thermal diffusion coefficient of nanofluid: Fullerene-toluene

    Science.gov (United States)

    Martin, Alain; Bou-Ali, M. Mounir

    2011-05-01

    Thermodiffusion coefficient at fullerene mass concentrations of 0.05%, 0.1%, 0.15%, and 0.2% was established for pure fullerene (C 60) diluted in toluene solutions. For this, the thermogravitational technique has been used in planar configuration with 4 extraction points. The determination of the concentration distribution along the column in steady state is determined by the method of analysis based on density measurements. In order to determine the thermal diffusion coefficient all thermophysical properties such as density, viscosity, thermal expansion coefficient and mass expansion coefficients were determined. All these studies coincide with the importance of the knowledge of the thermophysics and transport properties of the nanofluids to develop new applications and to optimize the existing ones.

  10. Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C60 Synthesis by Dimerization

    Directory of Open Access Journals (Sweden)

    Julio A. Alonso

    2013-02-01

    Full Text Available Density Functional Theory has been used to model the Diels-Alder reactions of the fullerene fragments triindenetriphenilene and pentacyclopentacorannulene with ethylene and 1,3-butadiene. The purpose is to prove the feasibility of using Diels-Alder cycloaddition reactions to grow fullerene fragments step by step, and to dimerize fullerene fragments, as a way to obtain C60. The dienophile character of the fullerene fragments is dominant, and the reaction of butadiene with pentacyclopentacorannulene is favored.

  11. Single or functionalized fullerenes interacting with heme group

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Wallison Chaves; Diniz, Eduardo Moraes, E-mail: eduardo.diniz@ufma.br [Departamento de Física, Universidade Federal do Maranhão, Avenida dos Portugueses, 1966, CEP 65080-805, São Luís - MA (Brazil)

    2014-09-15

    The heme group is responsible for iron transportation through the bloodstream, where iron participates in redox reactions, electron transfer, gases detection etc. The efficiency of such processes can be reduced if the whole heme molecule or even the iron is somehow altered from its original oxidation state, which can be caused by interactions with nanoparticles as fullerenes. To verify how such particles alter the geometry and electronic structure of heme molecule, here we report first principles calculations based on density functional theory of heme group interacting with single C{sub 60} fullerene or with C{sub 60} functionalized with small functional groups (−CH{sub 3}, −COOH, −NH{sub 2}, −OH). The calculations shown that the system heme + nanoparticle has a different spin state in comparison with heme group if the fullerene is functionalized. Also a functional group can provide a stronger binding between nanoparticle and heme molecule or inhibit the chemical bonding in comparison with single fullerene results. In addition heme molecule loses electrons to the nanoparticles and some systems exhibited a geometry distortion in heme group, depending on the binding energy. Furthermore, one find that such nanoparticles induce a formation of spin up states in heme group. Moreover, there exist modifications in density of states near the Fermi energy. Although of such changes in heme electronic structure and geometry, the iron atom remains in the heme group with the same oxidation state, so that processes that involve the iron might not be affected, only those that depend on the whole heme molecule.

  12. Makrocyclische Malonatsysteme und deren Reaktionen mit [60]Fulleren

    OpenAIRE

    Brandmüller, Torsten

    2005-01-01

    Im Rahmen dieser Arbeit wurden verschiedenartige makrocyclische Malonate hergestellt und deren Additionsverhalten an [60]Fulleren untersucht. Zunächst wurden sieben verschiedene Makrocyclen mit identischen Alkylketten synthetisiert und charakterisiert, Anschließend wurde die Synthese auf cyclische Malonate mit unterschiedlichen Alkylketten ausgedehnt. Die so erhaltenen makrocyclischen Malonate wurden im Folgenden der Addition an C60 nach BINGEL unterworfen. Hier bilden die symmetrischen Makro...

  13. Tripodal exTTF-CTV hosts for fullerenes.

    Science.gov (United States)

    Huerta, Elisa; Isla, Helena; Pérez, Emilio M; Bo, Carles; Martín, Nazario; de Mendoza, Javier

    2010-04-21

    A receptor for fullerenes featuring three exTTF units linked to a CTV scaffold is described. The exTTF-CTV host forms remarkably stable complexes with both C(60) (log K(a) = 5.3 +/- 0.2) and C(70) (log K(a) = 6.3 +/- 0.6). Light-induced ESR spectra demonstrate that intracomplex PET processes take place in solution. PMID:20350004

  14. Fullerene derivatives as electron acceptors for organic photovoltaic cells.

    Science.gov (United States)

    Mi, Dongbo; Kim, Ji-Hoon; Kim, Hee Un; Xu, Fei; Hwang, Do-Hoon

    2014-02-01

    Energy is currently one of the most important problems humankind faces. Depletion of traditional energy sources such as coal and oil results in the need to develop new ways to create, transport, and store electricity. In this regard, the sun, which can be considered as a giant nuclear fusion reactor, represents the most powerful source of energy available in our solar system. For photovoltaic cells to gain widespread acceptance as a source of clean and renewable energy, the cost per watt of solar energy must be decreased. Organic photovoltaic cells, developed in the past two decades, have potential as alternatives to traditional inorganic semiconductor photovoltaic cells, which suffer from high environmental pollution and energy consumption during production. Organic photovoltaic cells are composed of a blended film of a conjugated-polymer donor and a soluble fullerene-derivative acceptor sandwiched between a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)-coated indium tin oxide positive electrode and a low-work-function metal negative electrode. Considerable research efforts aim at designing and synthesizing novel fullerene derivatives as electron acceptors with up-raised lowest unoccupied molecular orbital energy, better light-harvesting properties, higher electron mobility, and better miscibility with the polymer donor for improving the power conversion efficiency of the organic photovoltaic cells. In this paper, we systematically review novel fullerene acceptors synthesized through chemical modification for enhancing the photovoltaic performance by increasing open-circuit voltage, short-circuit current, and fill factor, which determine the performance of organic photovoltaic cells.

  15. Tunneling spectroscopy of multi-shell carbon fullerenes

    Science.gov (United States)

    Doore, Keith; Cook, Matt; Clausen, Eric; Kidd, Tim; Ye, Zhipeng; Ye, Gaihua; He, Rui; Stollenwerk, Andrew

    Carbon allotropes such as fullerenes and nanotubes have generated considerable interest due possible exploitation of their mechanical and electrical properties for practical applications. Carbon onions are a type of fullerene consisting of multiple spherically concentric shells of curved graphitic sheets. Compared to single-shell fullerenes, few studies have been directed toward understanding the structural and electrical properties of carbon onions. Because carbon onions have proven difficult to fabricate in a controlled method, most of these studies have focused on synthesis methods. In this study, we investigate the electrical properties of carbon onions using a scanning tunneling microscope. Carbon onions were fabricated using ultrasonic agitation to break down isopropanol facilitated by a MoS2 catalyst. Particles suspended in the remaining solution were deposited onto atomically flat HOPG substrates. Scanning tunneling spectroscopy indicate that carbon onions can exhibit both metallic and semiconducting properties, similar to carbon nanotubes. This work was supported in part by the National Science Foundation, Grants No. DMR-1206530 and No. DMR-1410496.

  16. Continuous symmetry of C60 fullerene and its derivatives.

    Science.gov (United States)

    Sheka, E F; Razbirin, B S; Nelson, D K

    2011-04-21

    Conventionally, the I(h) symmetry of fullerene C(60) is accepted, which is supported by numerous calculations. However, this conclusion results from the consideration of the molecule electron system, of its odd electrons in particular, in a closed-shell approximation without taking the electron spin into account. Passing to the open-shell approximation has led to both the energy and the symmetry lowering up to C(i). Seemingly contradicting to a high-symmetry pattern of experimental recording, particularly concerning the molecule electronic spectra, the finding is considered in this Article from the continuous symmetry viewpoint. Exploiting continuous symmetry measure and continuous symmetry level approaches, it was shown that formal C(i) symmetry of the molecule is by 99.99% I(h). A similar continuous symmetry analysis of the fullerene monoderivatives gives a reasonable explanation of a large variety of their optical spectra patterns within the framework of the same C(1) formal symmetry exhibiting a strong stability of the C(60) skeleton. TOC color pictures present chemical portrait of C(60) in terms of atomic chemical susceptibility (Sheka, E. Fullerenes: Nanochemistry, Nanomagnetism, Nanomedicine, Nanophotonics; CRC Press: Taylor and Francis Group, Boca Raton, 2011).

  17. Study of urological devices coated with fullerene-like nanoparticles.

    Science.gov (United States)

    Goldbart, Ohad; Elianov, Olga; Shumalinsky, Dmitry; Lobik, Leonid; Cytron, Shmuel; Rosentsveig, Rita; Wagner, H Daniel; Tenne, Reshef

    2013-09-21

    Insertion of endoscopes and other medical devices into the human body are ubiquitous, especially among aged males. The applied force for the insertion/extraction of the device from the urethra must overcome endoscope-surface-human-tissue interactions. In daily practice a gel is applied on the endoscope surface, in order to facilitate its entry into the urethra, providing also for local anesthesia. In the present work, a new solid-state lubricant has been added to the gel, in order to reduce the metal-urethra interaction and alleviate the potential damage to the epithelial tissue. For that purpose, a urethra model was designed and fabricated, which allowed a quantitative assessment of the applied force for extraction of the endoscope from a soft polymer-based ring. It is shown that the addition of MoS2 nanoparticles with fullerene-like structure (IF-MoS2) and in particular rhenium-doped nanoparticles (Re:IF-MoS2) to Esracain gel applied on the metal-lead reduced the friction substantially. The Re:IF-MoS2 showed better results than the undoped fullerene-like nanoparticles and both performed better than the gel alone. The mechanism of friction reduction is attributed to fullerenes' ability to roll and act as a separator between the active parts of the model. PMID:23884307

  18. Fullerene derivatives as electron acceptors for organic photovoltaic cells.

    Science.gov (United States)

    Mi, Dongbo; Kim, Ji-Hoon; Kim, Hee Un; Xu, Fei; Hwang, Do-Hoon

    2014-02-01

    Energy is currently one of the most important problems humankind faces. Depletion of traditional energy sources such as coal and oil results in the need to develop new ways to create, transport, and store electricity. In this regard, the sun, which can be considered as a giant nuclear fusion reactor, represents the most powerful source of energy available in our solar system. For photovoltaic cells to gain widespread acceptance as a source of clean and renewable energy, the cost per watt of solar energy must be decreased. Organic photovoltaic cells, developed in the past two decades, have potential as alternatives to traditional inorganic semiconductor photovoltaic cells, which suffer from high environmental pollution and energy consumption during production. Organic photovoltaic cells are composed of a blended film of a conjugated-polymer donor and a soluble fullerene-derivative acceptor sandwiched between a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)-coated indium tin oxide positive electrode and a low-work-function metal negative electrode. Considerable research efforts aim at designing and synthesizing novel fullerene derivatives as electron acceptors with up-raised lowest unoccupied molecular orbital energy, better light-harvesting properties, higher electron mobility, and better miscibility with the polymer donor for improving the power conversion efficiency of the organic photovoltaic cells. In this paper, we systematically review novel fullerene acceptors synthesized through chemical modification for enhancing the photovoltaic performance by increasing open-circuit voltage, short-circuit current, and fill factor, which determine the performance of organic photovoltaic cells. PMID:24749413

  19. Heads or tails: how do chemically substituted fullerenes melt?

    Science.gov (United States)

    Armstrong, Jeff; Mukhopadhyay, Sanghamitra; Bresme, Fernando; Fernandez-Alonso, Felix

    2016-06-29

    We address the question as to whether the melting of chemically substituted fullerenes is driven by the dynamics of the fullerene moiety (the head) or the substituted sub-unit (the tail). To this end, we have performed quasielastic neutron-scattering experiments and classical molecular-dynamics simulations as a function of temperature on the prototypical fullerene derivative phenyl-C61-butyric acid methyl ester. To enable a direct and quantitative comparison between experimental and simulation data, dynamic structure factors for the latter have been calculated from atomic trajectories and further convolved with the known instrument response. A detailed analysis of the energy- and momentum-transfer dependence of this observable in the quasielastic regime shows that melting is entirely driven by temperature-activated tail motions. We also provide quantitative estimates of the activation energy for this process as the material first enters a plastic-crystalline phase, followed by the emergence of a genuine liquid at higher temperatures. PMID:27087579

  20. EXPERIMENTAL STUDY ON TRIBOLOGICAL PROPERTIES OF FULLERENE COPOLYMER NANOBALL

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    A novel fullerenestyrenemaleic anhydride copolymer is reported.TEM analyses shows it is water-soluble nanoball of average diameter of about 83nm.The tribological behavior is evaluated by fourball machine.It was found that addition of fullerene copolymer to base stock (2%triethanolamine aqueous solution)resulted in a raise in loadcarrying ability(F value)from 130 N to maximum 480 N,and a reduction in coefficient of friction from 0.235 to minimum 0.063.SEM analyses indicates that the wear scars obtained with fullerene copolymer exhibited mild scratches, while sharp grooving and serious pullout phenomnon were observed in the presence of base stock without additive .The improvements in friction,wear and loadcarrying capacity are probably due to the presence of fullerene copolymer nanoballs,which may act as molecule ball bearings,which in turn lead to elastic rolling lubrication.