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.

Multidimensional carbon allotropes as electrochemical detectors in capillary and microchip electrophoresis.

Science.gov (United States)

Martín, Aída; López, Miguel Ángel; González, María Cristina; Escarpa, Alberto

2015-01-01

The main multidimensional carbon allotropes could be classified into carbon nanotubes as 1D material, graphene as 2D material, as well as graphite and diamond as 3D carbon materials. Along with this review, a discussion using these four structures as electrochemical detectors in CE and ME will permit us to explore the recent advances in this field. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation of geometrical effects in the carbon allotropes manipulation based on AFM: multiscale approach

Energy Technology Data Exchange (ETDEWEB)

Korayem, M. H., E-mail: hkorayem@iust.ac.ir; Hefzabad, R. N.; Homayooni, A.; Aslani, H. [Iran University of Science and Technology, Robotic Research Laboratory, Center of Excellence in Experimental Solid Mechanics and Dynamics, School of Mechanical Engineering (Iran, Islamic Republic of)

2017-01-15

Carbon allotropes are used as nanocarriers for drug and cell delivery. To obtain an accurate result in the nanoscale, it is important to use a precise model. In this paper, a multiscale approach is presented to investigate the manipulation process of carbon allotropes based on atomic force microscopy (AFM). For this purpose, the AFM setup is separated into two parts with different sizes as macro field (MF) and nano field (NF). Using Kirchhoff’s plate model, the cantilever (the main part of MF) is modeled. The molecular dynamics method is applied to model the NF part, and then the MF and NF are coupled with the multiscale algorithm. With this model, by considering the effect of size and shape, the manipulation of carbon allotropes is carried out. The manipulations of armchair CNTs and fullerenes are performed to study the diameter changing effects. The result shows that the manipulation and friction force increases by increasing the diameter. The result of the indentation depth for the armchair CNTs indicates that decreasing the diameter causes the indentation depth to reduce. Moreover, the manipulations of four kinds of carbon allotropes with the same number of atoms have been studied to investigate the geometrical effects. The shapes of these nanoparticles change from sphere to cylinder. The results illustrate that the manipulation and the friction force decrease as the nanoparticle shape varies from sphere to cylinder. The Von-Mises results demonstrate that by changing the nanoparticle shape from the spherical to the cylindrical form, the stress increases, although the manipulation force reduces.

Investigation of geometrical effects in the carbon allotropes manipulation based on AFM: multiscale approach

International Nuclear Information System (INIS)

Korayem, M. H.; Hefzabad, R. N.; Homayooni, A.; Aslani, H.

2017-01-01

Carbon allotropes are used as nanocarriers for drug and cell delivery. To obtain an accurate result in the nanoscale, it is important to use a precise model. In this paper, a multiscale approach is presented to investigate the manipulation process of carbon allotropes based on atomic force microscopy (AFM). For this purpose, the AFM setup is separated into two parts with different sizes as macro field (MF) and nano field (NF). Using Kirchhoff’s plate model, the cantilever (the main part of MF) is modeled. The molecular dynamics method is applied to model the NF part, and then the MF and NF are coupled with the multiscale algorithm. With this model, by considering the effect of size and shape, the manipulation of carbon allotropes is carried out. The manipulations of armchair CNTs and fullerenes are performed to study the diameter changing effects. The result shows that the manipulation and friction force increases by increasing the diameter. The result of the indentation depth for the armchair CNTs indicates that decreasing the diameter causes the indentation depth to reduce. Moreover, the manipulations of four kinds of carbon allotropes with the same number of atoms have been studied to investigate the geometrical effects. The shapes of these nanoparticles change from sphere to cylinder. The results illustrate that the manipulation and the friction force decrease as the nanoparticle shape varies from sphere to cylinder. The Von-Mises results demonstrate that by changing the nanoparticle shape from the spherical to the cylindrical form, the stress increases, although the manipulation force reduces.

Nanoparticles containing allotropes of carbon have genotoxic effects on glioblastomamultiforme cells

Directory of Open Access Journals (Sweden)

Hinzmann M

2014-05-01

Full Text Available Mateusz Hinzmann,1 Slawomir Jaworski,1 Marta Kutwin,1 Joanna Jagiello,2 Rafal Kozinski,2 Mateusz Wierzbicki,1 Marta Grodzik,1 Ludwika Lipinska,2 Ewa Sawosz,1 Andrè Chwalibog31Division of Nanobiotechnology, Warsaw University of Life Sciences, 2Institute of Electronic Materials Technology, Warsaw, Poland; 3Department of Veterinary Clinical and Animal Sciences, University of Copenhagen, Copenhagen, DenmarkAbstract: The carbon-based nanomaterial family consists of nanoparticles containing allotropes of carbon, which may have a number of interactions with biological systems. The objective of this study was to evaluate the toxicity of nanoparticles comprised of pristine graphene, reduced graphene oxide, graphene oxide, graphite, and ultradispersed detonation diamond in a U87 cell line. The scope of the work consisted of structural analysis of the nanoparticles using transmission electron microscopy, evaluation of cell morphology, and assessment of cell viability by Trypan blue assay and level of DNA fragmentation of U87 cells after 24 hours of incubation with 50 µg/mL carbon nanoparticles. DNA fragmentation was studied using single-cell gel electrophoresis. Incubation with nanoparticles containing the allotropes of carbon did not alter the morphology of the U87 cancer cells. However, incubation with pristine graphene and reduced graphene oxide led to a significant decrease in cell viability, whereas incubation with graphene oxide, graphite, and ultradispersed detonation diamond led to a smaller decrease in cell viability. The results of a comet assay demonstrated that pristine graphene, reduced graphene oxide, graphite, and ultradispersed detonation diamond caused DNA damage and were therefore genotoxic in U87 cells, whereas graphene oxide was not.Keywords: nanostructures, graphene, graphite, diamond, glioblastoma multiforme, geno toxicity

Charge transfer in carbon composites based on fullerenes and exfoliated graphite

Science.gov (United States)

Berezkin, V. I.

2017-07-01

Kinetic processes have been studied in composites based on fullerenes and exfoliated graphite at the initial proportions of components from 1: 16 to 16: 1 in mass. The samples are produced by heat treatment of initial dispersed mixtures in vacuum in the diffusion-adsorption process, their further cold pressing, and annealing. It is shown that the annealing almost does not influence the conduction mechanisms and only induces additional structural defects acting as electron traps. As a whole, the results obtained at the noted proportions of components make it possible to consider the material as a compensated metallic system with a structural disorder in which the charge transfer at temperatures from 4.2 K to room temperature is controlled by quantum interference phenomena. At low temperatures, the effect of a weak localization is observed, and the electron-electron interactions take place at medium and high temperatures.

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

1996-12-31

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.

A plasma arc reactor for fullerene research

Science.gov (United States)

Anderson, T. T.; Dyer, P. L.; Dykes, J. W.; Klavins, P.; Anderson, P. E.; Liu, J. Z.; Shelton, R. N.

1994-12-01

A modified Krätschmer-Huffman reactor for the mass production of fullerenes is presented. Fullerene mass production is fundamental for the synthesis of higher and endohedral fullerenes. The reactor employs mechanisms for continuous graphite-rod feeding and in situ slag removal. Soot collects into a Soxhlet extraction thimble which serves as a fore-line vacuum pump filter, thereby easing fullerene separation from soot. Thermal gravimetric analysis (TGA) for yield determination is reported. This TGA method is faster and uses smaller samples than Soxhlet extraction methods which rely on aromatic solvents. Production of 10 g of soot per hour is readily achieved utilizing this reactor. Fullerene yields of 20% are attained routinely.

K{sub 6} carbon: A metallic carbon allotrope in sp{sup 3} bonding networks

Energy Technology Data Exchange (ETDEWEB)

Niu, Chun-Yao; Wang, Xin-Quan; Wang, Jian-Tao, E-mail: wjt@aphy.iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

2014-02-07

We identify by first-principles calculations a new cubic carbon phase in I4{sub 1}32 (O{sup 8}) symmetry, named K{sub 6} carbon, which has a six atom primitive cell comprising sp{sup 3} hybridized C{sub 3} triangle rings. The structural stability is verified by phonon mode analysis. The calculated elastic constants show that the K{sub 6} carbon is a high ductile material with a density even lower than graphite. Electronic band and density of states calculations reveal that it is a metallic carbon allotrope with a high electronic density of states of ∼0.10 states/eV per atom at the Fermi level. These results broaden our understanding of the structural and electronic properties of carbon allotropes.

Investigation of new superhard carbon allotropes with promising electronic properties

Energy Technology Data Exchange (ETDEWEB)

Kvashnina, Yulia A.; Kvashnin, Alexander G. [Technological Institute for Superhard and Novel Carbon Materials, 7a Centralnaya Street, Troitsk, Moscow 142190 (Russian Federation); Moscow Institute of Physics and Technology, 9 Institutsky Lane, 141700 Dolgoprudny (Russian Federation); Sorokin, Pavel B., E-mail: psorokin@iph.krasn.ru [Technological Institute for Superhard and Novel Carbon Materials, 7a Centralnaya Street, Troitsk, Moscow 142190 (Russian Federation); Moscow Institute of Physics and Technology, 9 Institutsky Lane, 141700 Dolgoprudny (Russian Federation); Emanuel Institute of Biochemical Physics of RAS, 4 Kosigina St., Moscow 119334 (Russian Federation)

2013-11-14

During the systematic search for a new superhard carbon allotrope, we predicted three structures with promising physical properties. Our electronic structure calculations show that these materials have a semiconducting band gap and a high carrier mobility comparable with diamond. The simulated x-ray diffraction patterns of the proposed materials are in a good agreement with the experimental X-ray spectra. Evaluated phase transition pressures from graphite to the new proposed carbon phases are smaller than 25 GPa and close to the experimental values.

Structural impact on the eigenenergy renormalization for carbon and silicon allotropes and boron nitride polymorphs

Science.gov (United States)

Tutchton, Roxanne; Marchbanks, Christopher; Wu, Zhigang

2018-05-01

The phonon-induced renormalization of electronic band structures is investigated through first-principles calculations based on the density functional perturbation theory for nine materials with various crystal symmetries. Our results demonstrate that the magnitude of the zero-point renormalization (ZPR) of the electronic band structure is dependent on both crystal structure and material composition. We have performed analysis of the electron-phonon-coupling-induced renormalization for two silicon (Si) allotropes, three carbon (C) allotropes, and four boron nitride (BN) polymorphs. Phonon dispersions of each material were computed, and our analysis indicates that materials with optical phonons at higher maximum frequencies, such as graphite and hexagonal BN, have larger absolute ZPRs, with the exception of graphene, which has a considerably smaller ZPR despite having phonon frequencies in the same range as graphite. Depending on the structure and material, renormalizations can be comparable to the GW many-body corrections to Kohn-Sham eigenenergies and, thus, need to be considered in electronic structure calculations. The temperature dependence of the renormalizations is also considered, and in all materials, the eigenenergy renormalization at the band gap and around the Fermi level increases with increasing temperature.

Improved spectrophotometric analysis of fullerenes C60 and C70 in high-solubility organic solvents.

Science.gov (United States)

Törpe, Alexander; Belton, Daniel J

2015-01-01

Fullerenes are among a number of recently discovered carbon allotropes that exhibit unique and versatile properties. The analysis of these materials is of great importance and interest. We present previously unreported spectroscopic data for C60 and C70 fullerenes in high-solubility solvents, including error bounds, so as to allow reliable colorimetric analysis of these materials. The Beer-Lambert-Bouguer law is found to be valid at all wavelengths. The measured data were highly reproducible, and yielded high-precision molar absorbance coefficients for C60 and C70 in o-xylene and o-dichlorobenzene, which both exhibit a high solubility for these fullerenes, and offer the prospect of improved extraction efficiency. A photometric method for a C60/C70 mixture analysis was validated with standard mixtures, and subsequently improved for real samples by correcting for light scattering, using a power-law fit. The method was successfully applied to the analysis of C60/C70 mixtures extracted from fullerene soot.

The first stable lower fullerene: C36

International Nuclear Information System (INIS)

Piskoti, C.; Zettl, A.

1998-01-01

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 C 60 . However, unlike other known fullerenes, any closed, fullerene-like C 36 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 C 36 in arced graphite soot. copyright 1998 American Institute of Physics

Fullerene monolayer formation by spray coating

Czech Academy of Sciences Publication Activity Database

Červenka, Jiří; Flipse, C.F.J.

2010-01-01

Roč. 21, č. 6 (2010), 065302/1-065302/7 ISSN 0957-4484 Institutional research plan: CEZ:AV0Z10100521 Keywords : monolayer * spray coating * fullerene * atomic force microscopy * scanning tunnelling microscopy * electronic structure * graphite * gold Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.644, year: 2010

Nanoparticles containing allotropes of carbon have genotoxic effects on glioblastoma multiforme cells

DEFF Research Database (Denmark)

Hinzmann, Mateusz; Jaworski, Sławomir; Kutwin, Marta

2014-01-01

of the U87 cancer cells. However, incubation with pristine graphene and reduced graphene oxide led to a significant decrease in cell viability, whereas incubation with graphene oxide, graphite, and ultradispersed detonation diamond led to a smaller decrease in cell viability. The results of a comet assay...... viability by Trypan blue assay and level of DNA fragmentation of U87 cells after 24 hours of incubation with 50 μg/mL carbon nanoparticles. DNA fragmentation was studied using single-cell gel electrophoresis. Incubation with nanoparticles containing the allotropes of carbon did not alter the morphology...

Allotropic effects on the energy loss of swift H+ and He+ ion beams through thin foils

International Nuclear Information System (INIS)

Garcia-Molina, Rafael; Abril, Isabel; Denton, Cristian D.; Heredia-Avalos, Santiago

2006-01-01

We have developed a theoretical treatment and a simulation code to study the energy loss of swift H + and He + ion beams interacting with thin foils of different carbon allotropes. The former is based on the dielectric formalism, and the latter combines Monte Carlo with the numerical solution of the motion equation for each projectile to describe its trajectory and interactions through the target. The capabilities of both methods are assessed by the reasonably good agreement between their predictions and the experimental results, for a wide range of projectile energies and target characteristics. Firstly, we apply the theoretical procedure to calculate the stopping cross sections for H + and He + beams in foils of different allotropic forms of carbon (such as diamond, graphite, amorphous carbon, glassy carbon and C 60 -fullerite), as a function of the projectile energy. We take into account the electronic structure of the projectile, as well as the different charge states it can acquire, the energy loss associated to the electronic capture and loss processes, the polarization of the projectile, and a realistic description of the target. On the other hand, the simulation code is used to evaluate the energy distributions of swift H + and He + ion beams when traversing several foils of the above mentioned allotropic forms of carbon, in order to analyze the influence of the chemical and physical state of the target in the projectile energy loss. These allotropic effects are found to become more important around the maximum of the stopping cross-section

Fullerene-reduced graphene oxide composites obtained by ultrashort laser ablation of fullerite in water

Energy Technology Data Exchange (ETDEWEB)

De Bonis, A., E-mail: angela.debonis@unibas.it [Dipartimento di Scienze, Università degli Studi della Basilicata, Viale dell’Ateneo Lucano, 10-85100, Potenza (Italy); Curcio, M. [Dipartimento di Scienze, Università degli Studi della Basilicata, Viale dell’Ateneo Lucano, 10-85100, Potenza (Italy); Santagata, A. [CNR-ISM, U.O.S. Tito Scalo, Zona Industriale, 85050, Tito Scalo (PZ) (Italy); Rau, J.V. [CNR-ISM, Via del Fosso del Cavaliere, 100-00133, Rome (Italy); Galasso, A.; Teghil, R. [Dipartimento di Scienze, Università degli Studi della Basilicata, Viale dell’Ateneo Lucano, 10-85100, Potenza (Italy)

2015-05-01

Highlights: • Laser ablation of a fullerite target in water performed by an ultra-short laser source has been reported. • The formation of reduced graphene oxide has been described considering the laser ablation in liquid mechanism. • Fullerene-reduced graphene oxide composite, in the form of self assembled microtubes, has been described. - Abstract: The laser ablation in liquid of carbon-based solid targets is of particular interest thanks to the possibility of obtaining different carbon allotropes by varying the experimental parameters employed. The ablation of a fullerite target in water using a frequency-doubled Nd:glass laser source with a pulse duration of 250 fs and a frequency repetition rate of 10 Hz is presented. The obtained products have been characterized by transmission electron and atomic force microscopies and by X-ray photoelectron and micro-Raman spectroscopies. During the femtosecond laser ablation, the collapse of fullerene cages has been considered with the consequent formation of graphene oxide (GO) and its successive hydrogenation. The process of self-assembling in microtube structures of the formed reduced graphene oxide-fullerene composites has then been reported.

Master curves for the sulphur assisted crosslinking reaction of natural rubber in the presence of nano- and nano-structured sp2 carbon allotropes

Directory of Open Access Journals (Sweden)

S. Musto

2017-06-01

Full Text Available In this paper, master curves are reported for the crosslinking of a diene rubber with a sulphur based system in the presence of either nano- or nano-structured carbon allotropes, such as carbon nanotubes (CNT, a nanosized graphite with high surface area (HSAG and carbon black (CB. Poly(1,4-cis-isoprene from Hevea Brasiliensis was the diene rubber and crosslinking was performed in temperatures ranging from 151 to 180 °C, with carbon allotropes below and above their percolation threshold. Such carbon allotropes were characterized by different aspect ratio, surface area and pH. However, in the crosslinking reaction, they revealed common behaviour. In fact, the specific interfacial area could be used to correlate crosslinking parameters, such as induction time (ts1 and activation energy (Ea calculated by applying the autocatalytic model. Monotonous decrease of ts1 and increase of Ea were observed, with points lying on master curves, regardless of the nature of the carbon allotropes. Remarkable differences were however observed in the structure of the crosslinking network: when the carbon allotrope was above the percolation threshold much larger crosslinking density was obtained in the presence of CNT whereas composites based on HSAG became soluble in hydrocarbon solvent, after the reaction with a thiol. Proposed explanation of these results is based on the reactivity of carbon allotropes with sulphur and sulphur based compounds, demonstrated through the reaction of 1-dodecanethiol and sulphur with CNT and HSAG and with a model substrate such as anthracene.

Cohesion energetics of carbon allotropes: Quantum Monte Carlo study

Energy Technology Data Exchange (ETDEWEB)

Shin, Hyeondeok; Kang, Sinabro; Koo, Jahyun; Lee, Hoonkyung; Kwon, Yongkyung, E-mail: ykwon@konkuk.ac.kr [Division of Quantum Phases and Devices, School of Physics, Konkuk University, Seoul 143-701 (Korea, Republic of); Kim, Jeongnim, E-mail: jnkim@ornl.gov [Materials Science and Technology Division and Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

2014-03-21

We have performed quantum Monte Carlo calculations to study the cohesion energetics of carbon allotropes, including sp{sup 3}-bonded diamond, sp{sup 2}-bonded graphene, sp–sp{sup 2} hybridized graphynes, and sp-bonded carbyne. The computed cohesive energies of diamond and graphene are found to be in excellent agreement with the corresponding values determined experimentally for diamond and graphite, respectively, when the zero-point energies, along with the interlayer binding in the case of graphite, are included. We have also found that the cohesive energy of graphyne decreases systematically as the ratio of sp-bonded carbon atoms increases. The cohesive energy of γ-graphyne, the most energetically stable graphyne, turns out to be 6.766(6) eV/atom, which is smaller than that of graphene by 0.698(12) eV/atom. Experimental difficulty in synthesizing graphynes could be explained by their significantly smaller cohesive energies. Finally, we conclude that the cohesive energy of a newly proposed graphyne can be accurately estimated with the carbon–carbon bond energies determined from the cohesive energies of graphene and three different graphynes considered here.

Cohesion Energetics of Carbon Allotropes: Quantum Monte Carlo Study

Energy Technology Data Exchange (ETDEWEB)

Shin, Hyeondeok [Konkuk University, South Korea; Kang, Sinabro [Konkuk University, South Korea; Koo, Jahyun [Konkuk University, South Korea; Lee, Hoonkyung [Konkuk University, South Korea; Kim, Jeongnim [ORNL; Kwon, Yongkyung [Konkuk University, South Korea

2014-01-01

We have performed quantum Monte Carlo calculations to study the cohesion energetics of carbon allotropes, including sp3-bonded diamond, sp2-bonded graphene, sp-sp2 hybridized graphynes, and sp-bonded carbyne. The comput- ed cohesive energies of diamond and graphene are found to be in excellent agreement with the corresponding values de- termined experimentally for diamond and graphite, respectively, when the zero-point energies, along with the interlayer binding in the case of graphite, are included. We have also found that the cohesive energy of graphyne decreases system- atically as the ratio of sp-bonded carbon atoms increases. The cohesive energy of -graphyne, the most energetically- stable graphyne, turns out to be 6.766(6) eV/atom, which is smaller than that of graphene by 0.698(12) eV/atom. Experi- mental difficulty in synthesizing graphynes could be explained by their significantly smaller cohesive energies. Finally we conclude that the cohesive energy of a newly-proposed two-dimensional carbon network can be accurately estimated with the carbon-carbon bond energies determined from the cohesive energies of graphene and three different graphynes.

Cluster Ion Implantation in Graphite and Diamond

DEFF Research Database (Denmark)

Popok, Vladimir

2014-01-01

Cluster ion beam technique is a versatile tool which can be used for controllable formation of nanosize objects as well as modification and processing of surfaces and shallow layers on an atomic scale. The current paper present an overview and analysis of data obtained on a few sets of graphite...... and diamond samples implanted by keV-energy size-selected cobalt and argon clusters. One of the emphases is put on pinning of metal clusters on graphite with a possibility of following selective etching of graphene layers. The other topic of concern is related to the development of scaling law for cluster...... implantation. Implantation of cobalt and argon clusters into two different allotropic forms of carbon, namely, graphite and diamond is analysed and compared in order to approach universal theory of cluster stopping in matter....

Evidence for the existence of sulfur-doped fullerenes from elucidation of their photophysical properties

Energy Technology Data Exchange (ETDEWEB)

Glenis, S.; Cooke, S.; Chen, X.; Labes, M.M. [Temple Univ., Philadelphia, PA (United States)

1996-01-01

Cage carbon atoms of fullerenes were substituted by sulfur in sulfur-doped fullerenes synthesized by the authors. The synthesis method was based on the arc evaporation of graphite in the presence of thiophene or 3-methylthiophene. Structural characterization was accomplished through mass spectrometry and fluorescence spectroscopy and crude purification regimens using column chromatography were established. 24 refs., 4 figs., 1 tab.

An Experimental study of Fullerene (C60) Nano-fluids on Pool Boiling Conditions

International Nuclear Information System (INIS)

Melani, Ai; Shin, Byoong Su; Chang, Soon Heung

2009-01-01

Critical heat flux (CHF) is directly related to the performance of the system since CHF limits the heat transfer of a heat transfer system. Significant enhancement of CHF allows reliable operation of equipment with more margins to operational limit and more economic cost saving. The previous results show that the nano-fluids significantly enhanced pool boiling CHF compared to pure water. It was supposed that CHF enhancement was due to increased thermal conductivity of fluids, change of bubble shape and behavior, and nano-particle coating of the boiling surface. The previous researches also show that mainly the pool boiling experiment was employed metal particles. Fullerene (C 60 ) is a novel carbon allotrope that was first discovered in 1985 by a winner noble 'Sir Harold W.Kroto, Richard E. Smalley and Robert F.Curl Jr'. In this study we report the first CHF experiment in pool boiling conditions using Fullerene (C 60 ) nanofluids

Fullerenes and disk-fullerenes

International Nuclear Information System (INIS)

Deza, M; Dutour Sikirić, M; Shtogrin, M I

2013-01-01

A geometric fullerene, or simply a fullerene, is the surface of a simple closed convex 3-dimensional polyhedron with only 5- and 6-gonal faces. Fullerenes are geometric models for chemical fullerenes, which form an important class of organic molecules. These molecules have been studied intensively in chemistry, physics, crystallography, and so on, and their study has led to the appearance of a vast literature on fullerenes in mathematical chemistry and combinatorial and applied geometry. In particular, several generalizations of the notion of a fullerene have been given, aiming at various applications. Here a new generalization of this notion is proposed: an n-disk-fullerene. It is obtained from the surface of a closed convex 3-dimensional polyhedron which has one n-gonal face and all other faces 5- and 6-gonal, by removing the n-gonal face. Only 5- and 6-disk-fullerenes correspond to geometric fullerenes. The notion of a geometric fullerene is therefore generalized from spheres to compact simply connected two-dimensional manifolds with boundary. A two-dimensional surface is said to be unshrinkable if it does not contain belts, that is, simple cycles consisting of 6-gons each of which has two neighbours adjacent at a pair of opposite edges. Shrinkability of fullerenes and n-disk-fullerenes is investigated. Bibliography: 87 titles

Fullerenes and disk-fullerenes

Science.gov (United States)

Deza, M.; Dutour Sikirić, M.; Shtogrin, M. I.

2013-08-01

A geometric fullerene, or simply a fullerene, is the surface of a simple closed convex 3-dimensional polyhedron with only 5- and 6-gonal faces. Fullerenes are geometric models for chemical fullerenes, which form an important class of organic molecules. These molecules have been studied intensively in chemistry, physics, crystallography, and so on, and their study has led to the appearance of a vast literature on fullerenes in mathematical chemistry and combinatorial and applied geometry. In particular, several generalizations of the notion of a fullerene have been given, aiming at various applications. Here a new generalization of this notion is proposed: an n-disk-fullerene. It is obtained from the surface of a closed convex 3-dimensional polyhedron which has one n-gonal face and all other faces 5- and 6-gonal, by removing the n-gonal face. Only 5- and 6-disk-fullerenes correspond to geometric fullerenes. The notion of a geometric fullerene is therefore generalized from spheres to compact simply connected two-dimensional manifolds with boundary. A two-dimensional surface is said to be unshrinkable if it does not contain belts, that is, simple cycles consisting of 6-gons each of which has two neighbours adjacent at a pair of opposite edges. Shrinkability of fullerenes and n-disk-fullerenes is investigated. Bibliography: 87 titles.

Fullerenes, nanotubes, onions and related carbon structures

Energy Technology Data Exchange (ETDEWEB)

Rao, C N.R.; Seshadri, Ram; Govindaraj, A; Sen, Rahul [Solid State and Structural Chemistry Unit, CSIR Centre of Excellence in Chemistry and Materials Research Centre, Indian Institute of Science, Bangalore (India)

1995-12-01

Fullerenes, containing five- and six-membered carbon rings, of which C{sub 6}0 and C{sub 7}0 are the prominent members, exhibit phase transitions associated with orientational ordering. When C{sub 6}0 is suitably doped with electrons, it shows novel superconducting and magnetic properties. We review these and other properties of fullerenes in bulk or in film form along with the preparative and structural aspects. Carbon nanotubes and onions (hyperfullerenes) are the other forms of carbon whose material properties have aroused considerable interest. Besides discussing these new forms of carbon, we briefly introduce other possible forms, such as those involving five-, six- and seven-membered rings and hybrids between diamond and graphite

Electronic structure and simulated STM images of non-honeycomb phosphorene allotropes

Science.gov (United States)

Kaur, Sumandeep; Kumar, Ashok; Srivastava, Sunita; Tankeshwar, K.

2018-04-01

We have investigated the electronic structure and simulated STM images of various non-honeycomb allotropes of phosphorene namely ɛ - P, ζ - P, η - P and θ - P, within combined density functional theory and Tersoff-Hamman approach. All these allotropes are found to be energetically stable and electronically semiconductingwith bandgap ranging between 0.5-1.2 eV. Simulated STM images show distinctly different features in terms of the topography. Different maximas in the distance-height profile indicates the difference in buckling of atoms in these allotropes. Distinctly different images obtained in this study may be useful to differentiate various allotropes that can serve as fingerprints to identify various allotropes during the synthesis of phosphorene.

Novamene: A new class of carbon allotropes

Directory of Open Access Journals (Sweden)

Larry A Burchfield

2017-02-01

Full Text Available We announce a new class of carbon allotropes. The basis of this new classification resides on the concept of combining hexagonal diamond (sp3 bonded carbon − lonsdaleite and ring carbon (sp2 bonded carbon − graphene. Since hexagonal diamond acts as an insulator and sp2 bonded rings act as conductors, these predicted materials have potential applications for transistors and other electronic components. We describe the structure of a proposed series of carbon allotropes, novamene, and carry out a detailed computational analysis of the structural and electronic properties of the simplest compound in this class: the single-ring novamene. In addition, we suggest how hundreds of different allotropes of carbon could be constructed within this class.

Identification of fullerenes in iron-carbon alloys structure.

Directory of Open Access Journals (Sweden)

KUZEEV Iskander Rustemovich

2017-11-01

Full Text Available Steels of various purposes are used in the construction industry, for example, as the reinforcement material in reinforced concrete structures. In the oil and gas industry, steel structures are used for storage and transportation of explosive toxic media. In this case the catastrophic damages might take place, that points at insufficiently deep knowledge about the processes running in structural materials when load is applied. Recent studies show that many properties of steel are set at the nanoscale level during crystallization from the molten metal and thermal treatment. To detect and identify fullerenes С60 and С70, which are independent nanoscale objects in steel structure, by various methods requires studying of how these objects influence on formation of steel properties. Iron atoms can serve as a catalyst and, interacting with large aromatic structures or fragments of the graphite planes, they form voluminous fullerene-type structures. The inverse phenomenon, i.e. influence of the formed nanoscale objects on structuring of the iron atoms, is also possible, as fullerene size is comparable with the size of the stable nucleus of the iron crystalline phase. The article discusses the issue of mechanisms of fullerenes formation in steels and cast irons. The most complicated issue in the study is the fullerenes identification by spectral methods as the quantity of released molecules is small. In order to increase the sensitivity of the fullerenes IR-spectrometry method, potassium bromide has been proposed to use. Dried and reduced sediment obtained as a result of dissolving iron matrix in steels is mixed with potassium bromide, the mixture becomes bright-orange. This fact points to presence of bromic fullerenes and to presence of fullerenes in the studied specimens. It is shown that the offered specimen preparation algorithm significantly increases sensitivity of the method.

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.

Five low energy phosphorene allotropes constructed through gene segments recombination.

Science.gov (United States)

He, Chaoyu; Zhang, ChunXiao; Tang, Chao; Ouyang, Tao; Li, Jin; Zhong, Jianxin

2017-04-27

Based on the crystal structures of the previously proposed low energy η-P and θ-P, five new phosphorene allotropes were predicted through gene segments recombination method. These five new phosphorene allotropes are confirmed dynamically stable and energetically more favorable than their parents (η-P and θ-P). Especially, the XX-XX type G1-P is confirmed energetically more favorable than most of all the previously proposed phosphorene allotropes, including black phosphorene and blue phosphorene, which is highly expected to be synthesized in future experiment through vapor deposition or epitaxial growth method like blue β-P. The calculated results also show that such a new promising phosphorene allotrope G1-P is a potential candidate for application in nano-electronics according to its middle band gap of about 1.491 eV from DFT-HSE06 calculation.

An effective method of increasing production rate of onion-like fullerenes

Energy Technology Data Exchange (ETDEWEB)

Liu Wen; Meng Qingsen [College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan, 030024 (China)], E-mail: lw915136@sina.com.cn

2009-09-01

Onion-like fullerenes (OLFs) were synthesized by arc discharge in benzene using graphite as electrode and ferrocene as catalyst. The effect of ferrocene on the morphologies and structures of the OLFs was investigated by HRTEM and XRD. Results show that ferrocene directly influenced the morphology and yield of OLFs: The degree of graphitization is better. The diameters of the OLFs can be controlled in the range between 10 and 30 nm The method described here suggests a novel and promising route to synthesize OLFs in large scales.

Tunable Graphitic Carbon Nano-Onions Development in Carbon Nanofibers for Multivalent Energy Storage

Energy Technology Data Exchange (ETDEWEB)

Schwarz, Haiqing L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2016-01-01

We developed a novel porous graphitic carbon nanofiber material using a synthesis strategy combining electrospinning and catalytic graphitization. RF hydrogel was used as carbon precursors, transition metal ions were successfully introduced into the carbon matrix by binding to the carboxylate groups of a resorcinol derivative. Transition metal particles were homogeneously distributed throughout the carbon matrix, which are used as in-situ catalysts to produce graphitic fullerene-like nanostructures surrounding the metals. The success design of graphitic carbons with enlarged interlayer spacing will enable the multivalent ion intercalation for the development of multivalent rechargeable batteries.

Electronic structure of multi-walled carbon fullerenes

International Nuclear Information System (INIS)

Doore, Keith; Cook, Matthew; Clausen, Eric; Lukashev, Pavel V; Kidd, Tim E; Stollenwerk, Andrew J

2017-01-01

Despite an enormous amount of research on carbon based nanostructures, relatively little is known about the electronic structure of multi-walled carbon fullerenes, also known as carbon onions. In part, this is due to the very high computational expense involved in estimating electronic structure of large molecules. At the same time, experimentally, the exact crystal structure of the carbon onion is usually unknown, and therefore one relies on qualitative arguments only. In this work we present the results of a computational study on a series of multi-walled fullerenes and compare their electronic structures to experimental data. Experimentally, the carbon onions were fabricated using ultrasonic agitation of isopropanol alcohol and deposited onto the surface of highly ordered pyrolytic graphite using a drop cast method. Scanning tunneling microscopy images indicate that the carbon onions produced using this technique are ellipsoidal with dimensions on the order of 10 nm. The majority of differential tunneling spectra acquired on individual carbon onions are similar to that of graphite with the addition of molecular-like peaks, indicating that these particles span the transition between molecules and bulk crystals. A smaller, yet sizable number exhibited a semiconducting gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) levels. These results are compared with the electronic structure of different carbon onion configurations calculated using first-principles. Similar to the experimental results, the majority of these configurations are metallic with a minority behaving as semiconductors. Analysis of the configurations investigated here reveals that each carbon onion exhibiting an energy band gap consisted only of non-metallic fullerene layers, indicating that the interlayer interaction is not significant enough to affect the total density of states in these structures. (paper)

Exploration work function and optical properties of monolayer SnSe allotropes

Science.gov (United States)

Cui, Zhen; Wang, Xia; Ding, Yingchun; Li, Meiqin

2018-02-01

The work function and optical properties are investigated with density functional theory for three monolayer SnSe allotropes. The calculated results indicate that the α-SnSe, δ-SnSe, ε-SnSe are semiconductor with the band gaps of 0.90, 1.25, and 1.50 eV, respectively. Meanwhile, the work function of δ-SnSe is lower than α-SnSe and ε-SnSe, which indicates that the δ-SnSe can be prepared of photoemission and field emission nanodevices. More importantly, the α-SnSe, δ-SnSe, ε-SnSe with the large static dielectric constants are 4.22, 5.48, and 3.61, which demonstrate that the three monolayer SnSe allotropes can be fabricated the capacitor. In addition, the static refractive index of δ-SnSe is larger than α-SnSe and ε-SnSe. The different optical properties with three monolayer SnSe allotropes reveal that the allotropes can regulate the properties of the materials. Moreover, our researched results show that the three monolayer SnSe allotropes are sufficient for fabrication of optoelectronic nanodevices.

Interactive effects between carbon allotrope fillers on the mechanical reinforcement of polyisoprene based nanocomposites

Directory of Open Access Journals (Sweden)

M. Galimberti

2014-06-01

Full Text Available Interactive effects of carbon allotropes on the mechanical reinforcement of polymer nanocomposites were investigated. Carbon nanotubes (CNT and nano-graphite with high shape anisotropy (nanoG were melt blended with poly(1,4-cis-isoprene, as the only fillers or in combination with carbon black (CB, measuring the shear modulus at low strain amplitudes for peroxide crosslinked composites. The nanofiller was found to increase the low amplitude storage modulus of the matrix, with or without CB, by a factor depending on nanofiller type and content. This factor, fingerprint of the nanofiller, was higher for CNT than for nanoG. The filler-polymer interfacial area was able to correlate modulus data of composites with CNT, CB and with the hybrid filler system, leading to the construction of a common master curve.

Neuronal uptake and intracellular superoxide scavenging of a fullerene (C60)-poly(2-oxazoline)s nanoformulation

KAUST Repository

Tong, Jing

2011-05-01

Fullerene, the third allotrope of carbon, has been referred to as a "radical sponge" because of its powerful radical scavenging activities. However, the hydrophobicity and toxicity associated with fullerene limits its application as a therapeutic antioxidant. In the present study, we sought to overcome these limitations by generating water-soluble nanoformulations of fullerene (C(60)). Fullerene (C(60)) was formulated with poly(N-vinyl pyrrolidine) (PVP) or poly(2-alkyl-2-oxazoline)s (POx) homopolymer and random copolymer to form nano-complexes. These C(60)-polymer complexes were characterized by UV-vis spectroscopy, infrared spectroscopy (IR), dynamic light scattering (DLS), atomic force microscopy (AFM) and transmission electron microscopy (TEM). Cellular uptake and intracellular distribution of the selected formulations in catecholaminergic (CATH.a) neurons were examined by UV-vis spectroscopy, immunofluorescence and immunogold labeling. Electron paramagnetic resonance (EPR) spectroscopy was used to determine the ability of these C(60)-polymer complexes to scavenge superoxide. Their cytotoxicity was evaluated in three different cell lines. C(60)-POx and C(60)-PVP complexes exhibited similar physicochemical properties and antioxidant activities. C(60)-poly(2-ethyl-2-oxazoline) (PEtOx) complex, but not C(60)-PVP complex, were efficiently taken up by CATH.a neurons and attenuated the increase in intra-neuronal superoxide induced by angiotensin II (Ang II) stimulation. These results show that C(60)-POx complexes are non-toxic, neuronal cell permeable, superoxide scavenging antioxidants that might be promising candidates for the treatment of brain-related diseases associated with increased levels of superoxide.

Accurate density-functional calculations on large systems: Fullerenes and magnetic clusters

International Nuclear Information System (INIS)

Dunlap, B.I.

1996-01-01

Efforts to accurately compute all-electron density-functional energies for large molecules and clusters using Gaussian basis sets will be reviewed. The foundation of this effort, variational fitting, will be described and followed by three applications of the method. The first application concerns fullerenes. When first discovered, C 60 is quite unstable relative to the higher fullerenes. In addition, to raising questions about the relative abundance of the various fullerenes, this work conflicted with the then state-of-the art density-funcitonal calculations on crystalline graphite. Now high accuracy molecular and band structure calculations are in fairly good agreement. Second, we have used these methods to design transition metal clusters having the highest magnetic moment by maximizing the symmetry-required degeneracy of the one-electron orbitals. Most recently, we have developed accurate, variational generalized-gradient approximation (GGA) forces for use in geometry optimization of clusters and in molecular-dynamics simulations of friction. The GGA optimized geometries of a number of large clusters will be given

Thermal conductivities of phosphorene allotropes from first-principles calculations: a comparative study.

Science.gov (United States)

Zhang, J; Liu, H J; Cheng, L; Wei, J; Liang, J H; Fan, D D; Jiang, P H; Shi, J

2017-07-04

Phosphorene has attracted tremendous interest recently due to its intriguing electronic properties. However, the thermal transport properties of phosphorene, especially for its allotropes, are still not well-understood. In this work, we calculate the thermal conductivities of five phosphorene allotropes (α-, β-, γ-, δ- and ζ-phase) by using phonon Boltzmann transport theory combined with first-principles calculations. It is found that the α-phosphorene exhibits considerable anisotropic thermal transport, while it is less obvious in the other four phosphorene allotropes. The highest thermal conductivity is found in the β-phosphorene, followed by the δ-, γ- and ζ-phase. The much lower thermal conductivity of the ζ-phase can be attributed to its relatively complex atomic configuration. It is expected that the rich thermal transport properties of phosphorene allotropes can have potential applications in the thermoelectrics and thermal management.

Allotropes of Phosphorus with Remarkable Stability and Intrinsic Piezoelectricity

Science.gov (United States)

Li, Zhenqing; He, Chaoyu; Ouyang, Tao; Zhang, Chunxiao; Tang, Chao; Römer, Rudolf A.; Zhong, Jianxin

2018-04-01

We construct a class of two-dimensional (2D) phosphorus allotropes by assembling a previously proposed ultrathin metastable phosphorus nanotube into planar structures in different stacking orientations. Based on first-principles methods, the structures, stabilities, and fundamental electronic properties of these allotropes are systematically investigated. Our results show that these 2D van der Waals phosphorene allotropes possess remarkable stabilities due to the strong intertube van der Waals interactions, which cause an energy release of about 30 - 70 meV /atom , depending on their stacking details. Most of them are confirmed to be energetically more favorable than the experimentally viable α -P and β -P . Three of them, showing a relatively higher probability of being synthesized in the future, are further confirmed to be dynamically stable semiconductors with strain-tunable band gaps and intrinsic piezoelectricity, which may have potential applications in nanosized sensors, piezotronics, and energy harvesting in portable electronic nanodevices.

Novel silicon allotropes: Stability, mechanical, and electronic properties

Energy Technology Data Exchange (ETDEWEB)

Fan, Qingyang; Chai, Changchun; Zhao, Yingbo; Yang, Yintang; Yu, Xinhai; Liu, Yang; Zhang, Junqin [Key Laboratory of Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China); Wei, Qun, E-mail: weiaqun@163.com; Yao, Ronghui [School of Physics and Optoelectronic Engineering, Xidian University, Xi' an 710071 (China); Yan, Haiyan [College of Chemistry and Chemical Engineering, Baoji University of Arts and Sciences, Baoji 721013 (China); Xing, Mengjiang [Faculty of Information Engineering and Automation, Kunming University of Science and Technology, Kunming 650051 (China)

2015-11-14

One quasi-direct gap phase (Amm2) and three indirect gap phases (C2/m-16, C2/m-20, and I-4) of silicon allotropes are proposed. The detailed theoretical study on the structure, density of states, elastic properties, sound velocities, and Debye temperature of these four phases is carried out by using first principles calculations. The elastic constants of these four phases are calculated by strain-stress method. The elastic constants and the phonon calculations manifest all novel silicon allotropes in this paper are mechanically and dynamically stable at ambient condition. The B/G values indicate that these four phases of silicon are brittle materials at ambient pressure. The anisotropy properties show that C2/m-20 phase exhibits a larger anisotropy in its elastic modulus, shear elastic anisotropic factors, and several anisotropic indices than others. We have found that the Debye temperature of the four novel silicon allotropes gradually reduces in the order of C2/m-20 > Amm2 > C2/m-16 > I-4 at ambient pressure.

The Raman spectrum of nano-structured onion-like fullerenes

International Nuclear Information System (INIS)

Wang Xiaomin; Xu Bingshe; Liu Xuguang; Jia Husheng; Hideki, Ichinose

2005-01-01

Onion-like fullerenes (OLFs) have been studied by scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM) and Raman spectroscopy. With a precise control of current, high-quality OLFs with few defects are found on the redeposit rod on the cathode. The size of OLFs is found to be in the range of 15-40 nm. Metal particles are useful support crystal to realize the synthesis of high-quality OLFs. Raman spectra of OLFs show high degree of graphitization. Compared with that of highly oriented prolific graphite (HOPG), the strain of graphene planes due to curvature and uneven distribution of the diameter of OLFs has been estimated analytically and is used to account for the downward shift of the G peak

Synthesis of soluble graphite and graphene.

Science.gov (United States)

Kelly, K F; Billups, W E

2013-01-15

Because of graphene's anticipated applications in electronics and its thermal, mechanical, and optical properties, many scientists and engineers are interested in this material. Graphene is an isolated layer of the π-stacked hexagonal allotrope of carbon known as graphite. The interlayer cohesive energy of graphite, or exfoliation energy, that results from van der Waals attractions over the interlayer spacing distance of 3.34 Å (61 meV/C atom) is many times weaker than the intralayer covalent bonding. Since graphene itself does not occur naturally, scientists and engineers are still learning how to isolate and manipulate individual layers of graphene. Some researchers have relied on the physical separation of the sheets, a process that can sometimes be as simple as peeling of sheets from crystalline graphite using Scotch tape. Other researchers have taken an ensemble approach, where they exploit the chemical conversion of graphite to the individual layers. The typical intermediary state is graphite oxide, which is often produced using strong oxidants under acidic conditions. Structurally, researchers hypothesize that acidic functional groups functionalize the oxidized material at the edges and a network of epoxy groups cover the sp(2)-bonded carbon network. The exfoliated material formed under these conditions can be used to form dispersions that are usually unstable. However, more importantly, irreversible defects form in the basal plane during oxidation and remain even after reduction of graphite oxide back to graphene-like material. As part of our interest in the dissolution of carbon nanomaterials, we have explored the derivatization of graphite following the same procedures that preserve the sp(2) bonding and the associated unique physical and electronic properties in the chemical processing of single-walled carbon nanotubes. In this Account, we describe efficient routes to exfoliate graphite either into graphitic nanoparticles or into graphene without

Electrical and thermal properties of graphite/polyaniline composites

Energy Technology Data Exchange (ETDEWEB)

Bourdo, Shawn E., E-mail: sxbourdo@ualr.edu [Center for Integrative Nanotechnology Sciences, University of Arkansas at Little Rock, 2801 South University Avenue, Little Rock, AR 72204 (United States); Warford, Brock A.; Viswanathan, Tito [Department of Chemistry, University of Arkansas at Little Rock, 2801 South University Avenue, Little Rock, AR 72204 (United States)

2012-12-15

A composite of a carbon allotrope (graphite) and an inherently conducting polymer, polyaniline (PANI), has been prepared that exhibits an electrical conductivity greater than either of the two components. An almost 2-fold increase in the bulk conductivity occurs when only a small mass fraction of polyaniline exists in the composite (91% graphite/ 9% polyaniline, by mass). This increase in dc electrical conductivity is curious since in most cases a composite material will exhibit a conductivity somewhere between the two individual components, unless a modification to the electronic nature of the material occurs. In order to elucidate the fundamental electrical properties of the composite we have performed variable temperature conductivity measurements to better understand the nature of conduction in these materials. The results from these studies suggest a change in the mechanism of conduction as the amount of polyaniline is increased in the composite. Along with superior electrical properties, the composites exhibit an increase in thermal stability as compared to the graphite. - Graphical abstract: (Left) Room temperature electrical conductivity of G-PANI composites at different mass ratios. (Right) Electrical conductivity of G-PANI composites at temperatures from 5 K to 300 K. Highlights: Black-Right-Pointing-Pointer Composites of graphite and polyaniline have been synthesized with unique electrical and thermal properties. Black-Right-Pointing-Pointer Certain G-PANI composites are more conductive and more thermally stable than graphite alone. Black-Right-Pointing-Pointer G-PANI composites exhibit a larger conductivity ratio with respect to temperature than graphite alone.

Identifying Dirac cones in carbon allotropes with square symmetry

Energy Technology Data Exchange (ETDEWEB)

Wang, Jinying [College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Huang, Huaqing; Duan, Wenhui [Department of Physics, Tsinghua University, Beijing 100084 (China); Liu, Zhirong, E-mail: LiuZhiRong@pku.edu.cn [College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); State Key Laboratory for Structural Chemistry of Unstable and Stable Species and Beijing National Laboratory for Molecular Sciences (BNLMS), Peking University, Beijing 100871 (China)

2013-11-14

A theoretical study is conducted to search for Dirac cones in two-dimensional carbon allotropes with square symmetry. By enumerating the carbon atoms in a unit cell up to 12, an allotrope with octatomic rings is recognized to possess Dirac cones under a simple tight-binding approach. The obtained Dirac cones are accompanied by flat bands at the Fermi level, and the resulting massless Dirac-Weyl fermions are chiral particles with a pseudospin of S = 1, rather than the conventional S = 1/2 of graphene. The spin-1 Dirac cones are also predicted to exist in hexagonal graphene antidot lattices.

Photocatalytic self-cleaning poly(L-lactide) materials based on a hybrid between nanosized zinc oxide and expanded graphite or fullerene

Energy Technology Data Exchange (ETDEWEB)

Virovska, Daniela [Laboratory of Bioactive Polymers, Institute of Polymers, Bulgarian Academy of Sciences, Acad. G. Bonchev St., bl. 103A, BG-1113 Sofia (Bulgaria); Paneva, Dilyana, E-mail: panevad@polymer.bas.bg [Laboratory of Bioactive Polymers, Institute of Polymers, Bulgarian Academy of Sciences, Acad. G. Bonchev St., bl. 103A, BG-1113 Sofia (Bulgaria); Manolova, Nevena [Laboratory of Bioactive Polymers, Institute of Polymers, Bulgarian Academy of Sciences, Acad. G. Bonchev St., bl. 103A, BG-1113 Sofia (Bulgaria); Rashkov, Iliya, E-mail: rashkov@polymer.bas.bg [Laboratory of Bioactive Polymers, Institute of Polymers, Bulgarian Academy of Sciences, Acad. G. Bonchev St., bl. 103A, BG-1113 Sofia (Bulgaria); Karashanova, Daniela [Institute of Optical Materials and Technologies, Bulgarian Academy of Sciences, Acad. G. Bonchev St., bl. 109, BG-1113 Sofia (Bulgaria)

2016-03-01

New self-cleaning materials of polymer fibers decorated with a hybrid between nanosized zinc oxide and expanded graphite (EG) or fullerene (C{sub 60}) were obtained. The new materials were prepared by applying electrospinning in conjunction with electrospraying. Poly(L-lactide) (PLA) was selected as a biocompatible and (bio)degradable polymer carrier. PLA solution was electrospun in combination with electrospraying of a suspension that contained the ZnO/EG or ZnO/C{sub 60} hybrid. Mats with different content of EG or C{sub 60} were obtained. The new materials were characterized by scanning and transmission electron microscopy (SEM and TEM), energy-dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and X-ray diffraction analysis (XRD). The photocatalytic activity of the materials was evaluated by using model dyes. The formation of a hybrid between ZnO and EG led to enhancement of the photocatalytic activity of the mats at ZnO/EG weight ratios of 90/10 and 85/15. Increase in the photocatalytic activity of the ZnO-containing mats was also achieved by the formation of a hybrid between ZnO and C{sub 60} at a fullerene content of 0.5 and 1.0 wt.% in respect to ZnO weight. The new materials exhibited antibacterial activity as evidenced by the performed studies against Staphylococcus aureus. - Highlights: • New self-cleaning materials are fabricated by electrospinning/electrospraying. • PLA fibers decorated with nanosized ZnO/EG or ZnO/C{sub 60} hybrid are obtained. • Their photocatalytic activity is enhanced as compared to fibers with bare ZnO. • The new materials can be used repeatedly for degradation of MB and RR dyes. • The new self-cleaning materials exhibit antibacterial activity against S. aureus.

Photocatalytic self-cleaning poly(L-lactide) materials based on a hybrid between nanosized zinc oxide and expanded graphite or fullerene

International Nuclear Information System (INIS)

Virovska, Daniela; Paneva, Dilyana; Manolova, Nevena; Rashkov, Iliya; Karashanova, Daniela

2016-01-01

New self-cleaning materials of polymer fibers decorated with a hybrid between nanosized zinc oxide and expanded graphite (EG) or fullerene (C_6_0) were obtained. The new materials were prepared by applying electrospinning in conjunction with electrospraying. Poly(L-lactide) (PLA) was selected as a biocompatible and (bio)degradable polymer carrier. PLA solution was electrospun in combination with electrospraying of a suspension that contained the ZnO/EG or ZnO/C_6_0 hybrid. Mats with different content of EG or C_6_0 were obtained. The new materials were characterized by scanning and transmission electron microscopy (SEM and TEM), energy-dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and X-ray diffraction analysis (XRD). The photocatalytic activity of the materials was evaluated by using model dyes. The formation of a hybrid between ZnO and EG led to enhancement of the photocatalytic activity of the mats at ZnO/EG weight ratios of 90/10 and 85/15. Increase in the photocatalytic activity of the ZnO-containing mats was also achieved by the formation of a hybrid between ZnO and C_6_0 at a fullerene content of 0.5 and 1.0 wt.% in respect to ZnO weight. The new materials exhibited antibacterial activity as evidenced by the performed studies against Staphylococcus aureus. - Highlights: • New self-cleaning materials are fabricated by electrospinning/electrospraying. • PLA fibers decorated with nanosized ZnO/EG or ZnO/C_6_0 hybrid are obtained. • Their photocatalytic activity is enhanced as compared to fibers with bare ZnO. • The new materials can be used repeatedly for degradation of MB and RR dyes. • The new self-cleaning materials exhibit antibacterial activity against S. aureus.

Multiporous carbon allotropes transformed from symmetry-matched carbon nanotubes

Directory of Open Access Journals (Sweden)

Yingxiang Cai

2016-06-01

Full Text Available Carbon nanotubes (CNTs with homogeneous diameters have been proven to transform into new carbon allotropes under pressure but no studies on the compression of inhomogeneous CNTs have been reported. In this study, we propose to build new carbon allotropes from the bottom-up by applying pressure on symmetry-matched inhomogeneous CNTs. We find that the (3,0 CNT with point group C3v and the (6,0 CNT with point group C6v form an all sp3 hybridized hexagonal 3060-Carbon crystal, but the (4,0 CNT with point group D4h and the (8,0 CNT with point group D8h polymerize into a sp2+sp3 hybridized tetragonal 4080-Carbon structure. Their thermodynamic, mechanical and dynamic stabilities show that they are potential carbon allotropes to be experimentally synthesized. The multiporous structures, excellently mechanical properties and special electronic structures (semiconductive 3060-Carbon and semimetallic 4080-Carbon imply their many potential applications, such as gases purification, hydrogen storage and lightweight semiconductor devices. In addition, we simulate their feature XRD patterns which are helpful for identifying the two carbon crystals in future experimental studies.

Multiporous carbon allotropes transformed from symmetry-matched carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Cai, Yingxiang, E-mail: yingxiangcai@ncu.edu.cn; Wang, Hao; Xu, Shengliang; Hu, Yujie; Liu, Ning; Xu, Xuechun [Department of Physics, NanChang University, Jiangxi, Nanchang 330031 (China)

2016-06-15

Carbon nanotubes (CNTs) with homogeneous diameters have been proven to transform into new carbon allotropes under pressure but no studies on the compression of inhomogeneous CNTs have been reported. In this study, we propose to build new carbon allotropes from the bottom-up by applying pressure on symmetry-matched inhomogeneous CNTs. We find that the (3,0) CNT with point group C{sub 3v} and the (6,0) CNT with point group C{sub 6v} form an all sp{sup 3} hybridized hexagonal 3060-Carbon crystal, but the (4,0) CNT with point group D{sub 4h} and the (8,0) CNT with point group D{sub 8h} polymerize into a sp{sup 2}+sp{sup 3} hybridized tetragonal 4080-Carbon structure. Their thermodynamic, mechanical and dynamic stabilities show that they are potential carbon allotropes to be experimentally synthesized. The multiporous structures, excellently mechanical properties and special electronic structures (semiconductive 3060-Carbon and semimetallic 4080-Carbon) imply their many potential applications, such as gases purification, hydrogen storage and lightweight semiconductor devices. In addition, we simulate their feature XRD patterns which are helpful for identifying the two carbon crystals in future experimental studies.

submitter Development of a processing route for carbon allotrope-based TiC porous nanocomposites

CERN Document Server

Ramos, J P; Stora, T; Fernandes, C M; Bowen, P

2017-01-01

Ti-foils are currently used as a spallation target material to produce radioisotopes for physics research at the ISOLDE facility at CERN. However, radioisotope production rates often decrease over time due to material degradation from high operation temperatures. Due to enhanced release rates, porous nanomaterials are being studied as spallation target materials for isotope production. TiC is a material with a very high melting point making it an interesting material to replace the Ti-foils. However, in its nanometric form it sinters readily at high temperatures. To overcome this, a new processing route was developed where TiC was co-milled with graphite, carbon black or multi-wall carbon nanotubes in order to hinder the sintering of TiC. The obtained nanocomposite particle sizes, density, specific surface area and porosity were characterized and compared using ANOVA. All carbon allotropes mixed with the TiC, were able to successfully stabilize the nanometric TiC, hindering its sintering up to 1500 °C for 10...

Thermal conductivities of phosphorene allotropes from first-principles calculations: a comparative study

OpenAIRE

Zhang, J.; Liu, H. J.; Cheng, L.; Wei, J.; Liang, J. H.; Fan, D. D.; Jiang, P. H.; Shi, J.

2017-01-01

Phosphorene has attracted tremendous interest recently due to its intriguing electronic properties. However, the thermal transport properties of phosphorene, especially for its allotropes, are still not well-understood. In this work, we calculate the thermal conductivities of five phosphorene allotropes ({\\alpha}-, \\b{eta}-, {\\gamma}-, {\\delta}- and {\\zeta}-phase) by using phonon Boltzmann transport theory combined with first-principles calculations. It is found that the {\\alpha}-phosphorene ...

Electronic origin of spatial self-phase modulation: Evidenced by comparing graphite with C{sub 60} and graphene

Energy Technology Data Exchange (ETDEWEB)

Wu, Y. L.; Zhu, L. L. [College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071 (China); Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Wu, Q.; Sun, F.; Wei, J. K.; Tian, Y. C.; Wang, W. L.; Bai, X. D.; Zhao, Jimin, E-mail: jmzhao@iphy.ac.cn, E-mail: xzuonku@outlook.com [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Zuo, Xu, E-mail: jmzhao@iphy.ac.cn, E-mail: xzuonku@outlook.com [College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071 (China)

2016-06-13

We report unambiguous observation of spatial self-phase modulation (SSPM) in a dispersive suspension of graphite flakes. This coherent nonlinear optical effect in bulk graphite is found to be broadband and large, with a third-order nonlinear susceptibility χ{sup (3)} of 2.2 × 10{sup −9} esu (i.e., 3.1 × 10{sup −17} m{sup 2}/V{sup 2} in SI units) at 532 nm excitation. Comparison with other carbon allotropes shows that this value is 5 × 10{sup 7} times higher than that of C{sub 60} but ∼50 times lower than that of graphene, fully exhibiting the electronic origin of SSPM.

Photophysical properties of fullerenes prepared in an atmosphere of pyrrole

Energy Technology Data Exchange (ETDEWEB)

Glenis, S.; Cooke, S.; Chen, X.; Labes, M.M. (Temple Univ., Philadelphia, PA (United States))

1994-10-01

Samples of C[sub 60] and C[sub 70] containing a variety of nitrogen-doped species were prepared by arc vaporization of graphite in the presence of pyrrole. Cage-doped fractions were isolated by column chromatography and characterized by mass spectroscopy, optical absorption, and fluorescence measurements. Mass spectra were consistent with the substitution of an even number of carbon atoms of the C[sub 60] and C[sub 70] cages by nitrogen atoms. Carbonaceous clusters including fragmented fullerenes containing hydrogen atoms were also formed. UV-visible spectral analysis indicated that there is an influence of the molecular weight on the fundamental [pi]-[pi]* electronic transition. Fluorescence spectra showed a broad band containing vibrational fine structure that is attributed to photoseparated charges in the fragmented fullerenes and a shoulder on the low-energy side that is related to intrinsic excitation in the nitrogen-doped species. Fluorescence results imply a bandgap of 2.36 eV for the N doped fullerenes and the existence of intermediate excitonic transitions below the optical bandgap. Although it has not yet been possible to isolate a pure cage-doped material, the photophysical studies add credence to their existence and the importance of further attempts at their isolation. 17 refs., 4 figs., 1 tab.

Magnetic response of certain curved graphitic geometries

International Nuclear Information System (INIS)

Wang, L.; Davids, P.S.; Saxena, A.; Bishop, A.R.

1992-01-01

The quasi-particle energy spectra associated with some members of buckyfamily (curved graphitic geometries), in particular C 50 , C 60 , C 70 and related fullerenes as well as coaxial helical microtubules of graphite, are obtained analytically within the mean-field approximation. These energy spectra are then used to calculate various response functions. Specifically, we calculate the specific heat, magnetization and magnetic susceptibility in the presence of an external magnetic field at low temperatures. For a single microtubule an extra peak superimposed on the first de Haas van Alphen (dHvA) oscillation in magnetic susceptibility is found in the 50--170 Tesla range depending on the radius which is possibly accessible in special (explosive flux compression) experiments. Finally, we point to important potential applications of these novel mesoscopic structures in nanotechnology

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....

Modifications of Graphite and Multiwall Carbon Nanotubes in the Presence of Urea

Science.gov (United States)

Duraia, El-Shazly M.; Fahami, Abbas; Beall, Gary W.

2018-02-01

The effect of high-energy ball milling on two carbon allotropes, graphite and multiwall carbon nanotubes (MWCNT) in the presence of urea has been studied. Samples were investigated using Raman spectroscopy, x-ray diffraction, scanning electron microscope (SEM) and x-ray photoelectron spectroscopy (XPS). Nitrogen-doped graphene has been successfully synthesized via a simple scalable mechanochemistry method using urea and graphite powder precursors. XPS results revealed the existence of the different nitrogen atoms configurations including pyridine, pyrrodic and graphitic N. SEM observations showed that the graphene nanosheets morphology become more wrinkles folded and crumbled as the milling time increased. The ID/IG ratio also increased as the milling time rose. The presence of both D' and G + D bands at 1621 cm-1 and 2940 cm-1, respectively, demonstrated the nitrogen incorporation in the graphene lattice Two factors contribute to the used urea: first it helps to exfoliate graphite into graphene, and second it preserves the graphitic structure from damage during the milling process as well as acting as a solid-state nitrogen source. Based on the phase analysis, the d-spacing of MWCNT samples in the presence of urea decreased due to the mechanical force in the milling process as the milling time increased. On the other hand, in the graphite case, due to its open flat surface, the graphite (002) peak shifts toward lower two theta as the milling time increase. Such findings are important and could be used for large-scale production of N-doped graphene, diminishing the use of either dangerous chemicals or sophisticated equipment.

Exposure to Carbon Nanotube Material: Assessment of Nanotube Cytotoxicity Using Human Keratinocyte Cells

Science.gov (United States)

Shvedova, Anna A.; Castranova, Vincent; Kisin, Elena R.; Schwegler-Berry, Diane; Murray, Ashley R.; Gandelsman, Vadim Z.; Maynard, Andrew; Baron, Paul

2003-01-01

Carbon nanotubes are new members of carbon allotropes similar to fullerenes and graphite. Because of their unique electrical, mechanical, and thermal properties, carbon nanotubes are important for novel applications in the electronics, aerospace, and computer industries. Exposure to graphite and carbon materials has been associated with increased incidence of skin diseases, such as carbon fiber dermatitis, hyperkeratosis, and naevi. We investigated adverse effects of single-wall carbon nanotubes (SWCNT) using a cell culture of immortalized human epidermal keratinocytes (HaCaT). After 18 h of exposure of HaCaT to SWCNT, oxidative stress and cellular toxicity were indicated by formation of free radicals, accumulation of peroxidative products, antioxidant depletion, and loss of cell viability. Exposure to SWCNT also resulted in ultrastructural and morphological changes in cultured skin cells. These data indicate that dermal exposure to unrefined SWCNT may lead to dermal toxicity due to accelerated oxidative stress in the skin of exposed workers.

Orthorhombic BN: A novel superhard sp{sup 3} boron nitride allotrope

Energy Technology Data Exchange (ETDEWEB)

Zhang, Zhiguo [College of Physics, Beihua University, Jilin 132013 (China); Lu, Mingchun [Department of Aeronautical Engineering Professional Technology, Jilin Institute of Chemical Technology, Jilin 132102 (China); Zhu, Li; Zhu, Lili; Li, Yadan [College of Physics, Beihua University, Jilin 132013 (China); Zhang, Miao, E-mail: zhangmiaolmc@126.com [College of Physics, Beihua University, Jilin 132013 (China); College of Materials Science and Engineering, National Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Li, Quan, E-mail: liquan777@jlu.edu.cn [College of Materials Science and Engineering, National Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China)

2014-02-07

Here, a novel superhard orthorhombic allotrope of boron nitride (O-BN) with the space group of Pbam has been predicted using first-principles calculations. Our results revealed that O-BN simultaneously posses incompressible with a high bulk modulus of 397.38 GPa, and superhard properties with a high Vickers hardness of 65 GPa. Further phonon calculations show O-BN structure is dynamically stable. Moreover, it is thermodynamics energetically more preferable than previous proposed BN allotropes and a transparent insulator with an indirect band gap of about 4.85 eV. Our researches represent a significant step toward the exploration of superhard materials.

Positron annihilation study of graphite, glassy carbon and C60/C70 fullerene

International Nuclear Information System (INIS)

Hasegawa, Masayuki; Kajino, Masahiro; Yamaguchi, Sadae; Iwata, Tadao; Kuramoto, Eiichi; Takenaka, Minoru.

1992-01-01

ACAR (Angular Correlation of Annihilation Radiation) and positron lifetime measurements have been made on, HOPG (Highly Oriented Pyrolytic Graphite), isotropic fine-grained graphite, glassy carbons and C 60 /C 70 powder. HOPG showed marked bimodality along the c-axis and anisotropy in ACAR momentum distribution, which stem from characteristic annihilation between 'interlayer' positrons and π-electrons in graphite. ACAR curves of the isotropic graphite and glassy carbons are even narrower than that of HOPG perpendicular to the c-axis. Positron lifetime of 420 and 390 - 480 psec, much longer than that of 221 psec in HOPG, were observed for the isotropic graphite and glassy carbons respectively, which are due to positron trapping in structural voids in them. Positron lifetime and ACAR width (FWHM) can be well correlated to void sizes (1.7 to 5.0 nm) of glassy carbons which have been determined by small angle neutron (SAN) scattering measurements. ACAR curves and positron lifetime of C 60 /C 70 powder agree well with those of glassy carbons. This shows that positron wave functions extend, as in the voids of glassy carbons, much wider than open spaces of the octahedral interstices of the face-centered cubic (FCC) structure of C 60 crystal and strongly suggests positron trapping in the 'soccer ball' vacancy. Possible positron states in the carbon materials are discussed with a simple model of void volume-trapping. Preliminary results on neutron irradiation damage in HOPG are also presented. (author)

Sculpting carbon bonds for allotropic transformation through solid-state re-engineering of –sp2 carbon

Energy Technology Data Exchange (ETDEWEB)

Jung, Hyun Young; Araujo, Paulo T.; Kim, Young Lae; Jung, Sung Mi; Jia, Xiaoting; Hong, Sanghyun; Ahn, Chi Won; Kong, Jing; Dresselhaus, Mildred S.; Kar, Swastik; Jung, Yung Joon

2014-09-15

Carbon forms one of nature’s strongest chemical bonds; its allotropes having provided some of the most exciting scientific discoveries in recent times. The possibility of inter-allotropic transformations/hybridization of carbon is hence a topic of immense fundamental and technological interest. Such modifications usually require extreme conditions (high temperature, pressure and/or high-energy irradiations), and are usually not well controlled. Here we demonstrate inter-allotropic transformations/hybridizations of specific types that appear uniformly across large-area carbon networks, using moderate alternating voltage pulses. By controlling the pulse magnitude, small-diameter single-walled carbon nanotubes can be transformed predominantly into larger-diameter single-walled carbon nanotubes, multi-walled carbon nanotubes of different morphologies, multi-layered graphene nanoribbons or structures with sp3 bonds. This re-engineering of carbon bonds evolves via a coalescence-induced reconfiguration of sp2 hybridization, terminates with negligible introduction of defects and demonstrates remarkable reproducibility. This reflects a potential step forward for large-scale engineering of nanocarbon allotropes and their junctions.

Enhanced superconductivity of fullerenes

Energy Technology Data Exchange (ETDEWEB)

Washington, II, Aaron L.; Teprovich, Joseph A.; Zidan, Ragaiy

2017-06-20

Methods for enhancing characteristics of superconductive fullerenes and devices incorporating the fullerenes are disclosed. Enhancements can include increase in the critical transition temperature at a constant magnetic field; the existence of a superconducting hysteresis over a changing magnetic field; a decrease in the stabilizing magnetic field required for the onset of superconductivity; and/or an increase in the stability of superconductivity over a large magnetic field. The enhancements can be brought about by transmitting electromagnetic radiation to the superconductive fullerene such that the electromagnetic radiation impinges on the fullerene with an energy that is greater than the band gap of the fullerene.

Synthesis and radiation resistance of fullerenes and fullerene derivatives

Energy Technology Data Exchange (ETDEWEB)

Shilin, V. A., E-mail: shilin@pnpi.spb.ru; Lebedev, V. T.; Sedov, V. P.; Szhogina, A. A. [St. Petersburg Nuclear Physics Institute, National Research Centre “Kurchatov Institute” (Russian Federation)

2016-07-15

The parameters of an electric-arc facility for the synthesis of fullerenes and endohedral metallofullerenes are optimized. The resistance of C{sub 60} and C{sub 70} fullerenes and C{sub 60}(OH){sub 30} and C{sub 70}(OH){sub 30} fullerenols against neutron irradiation is studied. It is established that the radiation resistance of the fullerenes is higher than that of the fullerenols, but the radiation resistance of the Gd@C{sub 2n} endometallofullerenes is lower than that of the corresponding Gd@C{sub 2n}(OH){sub 38} fullerenols. The radiation resistance of mixtures of Me@C{sub 2n}(OH){sub 38} (Me = Gd, Tb, Sc, Fe, and Pr) endometallofullerenes with C{sub 60}(OH){sub 30} is determined. The factors affecting the radiation resistance of the fullerenes and fullerenols are discussed.

An investigation of the electron irradiation of graphite in a helium atmosphere using a modified electron microscope

International Nuclear Information System (INIS)

Burden, A.P.; Hutchison, J.L.

1997-01-01

The behaviour of graphite particles immersed in helium gas and irradiated with an electron-beam has been investigated. Because this treatment was performed in a modified high resolution transmission electron microscope, the rapid morphological and microstructural changes that occurred could be directly observed. The results have implications for future controlled environment microscopy of carbonaceous materials and the characterisation of such microscopes. It is also shown that the processes can provide insight into ion-irradiation induced damage of graphite and the mechanism of fullerene generation. (Author)

Fabrication of fullerene nano-strucutres in mixed films and devices utilizing fullerene nano-structures

KAUST Repository

Zhong, Yufei; Amassian, Aram; Tajima, Keisuke

2017-01-01

Embodiments provide methods for controlling crystallization of fullerene compounds in mixed films comprising one or more polymers. Methods can include depositing fullerene mixed films comprising one or more polymers on crystalline fullerene

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.

Fabrication of fullerene nano-strucutres in mixed films and devices utilizing fullerene nano-structures

KAUST Repository

Zhong, Yufei

2017-04-06

Embodiments provide methods for controlling crystallization of fullerene compounds in mixed films comprising one or more polymers. Methods can include depositing fullerene mixed films comprising one or more polymers on crystalline fullerene substrates and annealing the deposited mixed films. Methods can further include one or more of exposing the annealed mixed film to UV light, and washing the annealed mixed film with a solvent. Fullerene compounds can include one or more of PCBM, PCBNB, and PCBA.

Supramolecular solubilization of fullerenes and radio-fullerenes in aqueous media

International Nuclear Information System (INIS)

Braun, T.

1999-01-01

In this paper we are dealing with the supramolecular complexation of fullerenes C 60 , C 70 , some functionalized fullerenes and of the dumbbell structured C 120 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 C 60 as 2:1 host-guest complex. The calix[8]arene complex with C 60 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)

Fullerene-biomolecule conjugates and their biomedicinal applications.

Science.gov (United States)

Yang, Xinlin; Ebrahimi, Ali; Li, Jie; Cui, Quanjun

2014-01-01

Fullerenes are among the strongest antioxidants and are characterized as "radical sponges." The research on biomedicinal applications of fullerenes has achieved significant progress since the landmark publication by Friedman et al in 1993. Fullerene-biomolecule conjugates have become an important area of research during the past 2 decades. By a thorough literature search, we attempt to update the information about the synthesis of different types of fullerene-biomolecule conjugates, including fullerene-containing amino acids and peptides, oligonucleotides, sugars, and esters. Moreover, we also discuss in this review recently reported data on the biological and pharmaceutical utilities of these compounds and some other fullerene derivatives of biomedical importance. While within the fullerene-biomolecule conjugates, in which fullerene may act as both an antioxidant and a carrier, specific targeting biomolecules conjugated to fullerene will undoubtedly strengthen the delivery of functional fullerenes to sites of clinical interest.

Photoinduced energy and electron transfer in fullerene- oligothiophene-fullerene triads

NARCIS (Netherlands)

Hal, Paul A. van; Knol, Joop; Langeveld-Voss, Bea M.W.; Meskers, Stefan C.J.; Hummelen, J.C.; Janssen, René A.J.

2000-01-01

A series of fullerene-oligothiophene-fullerene (C60-nT-C60) triads with n = 3, 6, or 9 thiophene units has been synthesized, and their photophysical properties have been studied using photoinduced absorption and fluorescence spectroscopy in solution and in the solid state as thin films. The results

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.

Superconducting Open-Framework Allotrope of Silicon at Ambient Pressure

Science.gov (United States)

Sung, Ha-Jun; Han, W. H.; Lee, In-Ho; Chang, K. J.

2018-04-01

Diamond Si is a semiconductor with an indirect band gap that is the basis of modern semiconductor technology. Although many metastable forms of Si were observed using diamond anvil cells for compression and chemical precursors for synthesis, no metallic phase at ambient conditions has been reported thus far. Here we report the prediction of pure metallic Si allotropes with open channels at ambient pressure, unlike a cubic diamond structure in covalent bonding networks. The metallic phase termed P 6 /m -Si6 can be obtained by removing Na after pressure release from a novel Na-Si clathrate called P 6 /m -NaSi6 , which is predicted through first-principles study at high pressure. We identify that both P 6 /m -NaSi6 and P 6 /m -Si6 are stable and superconducting with the critical temperatures of about 13 and 12 K at ambient pressure, respectively. The prediction of new Na-Si and Si clathrate structures presents the possibility of exploring new exotic allotropes useful for Si-based devices.

Electronic properties of fullerenes

Energy Technology Data Exchange (ETDEWEB)

Kuzmany, H [ed.; Vienna Univ. (Austria). Inst. fuer Festkoerperphysik; Fink, J [ed.; Kernforschungszentrum Karlsruhe GmbH (Germany). Inst. fuer Nukleare Festkoerperphysik; Mehring, M [ed.; Stuttgart Univ. (Germany). Physikalisches Teilinstitut 2; Roth, S [ed.; Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

1993-01-01

Since 1991, research in the field of organic carbon materials has developed at a rapid pace due to the advent of the fullerenes and related materials. These forms of carbon are considered as a missing link between the previously discussed electroactive polymers and the oxidic superconductors. It was therefore challenging to select this topic for an international winter school in Kirchberg. Although still in its infancy, research on the physics and chemistry of fullerenes and related compounds has already led to a wealth of results, which was reflected in the wide range of topics covered and the numerous discussions which emerged at the meeting. For C[sub 60] itself, preparation methods and crystal growth techniques continue to evolve, while the understanding of the electronic and structural properties of its solid state continues to pose challenges to experimental and theoretical physicists. The ever-expanding range of higher fullerens and related materials, such as nanotubes and onions, poses a daunting but exciting task for researchers. For synthetic chemists, fullerenes represent the basis of a whole new range of synthetic compounds. The prospect of a periodic table of endohedral fullerene complexes has been discussed, and exohedrally complexed metal-fullerenes have already attracted the attention of physicists. The first endohedral materials are now available. (orig.)

Electronic properties of fullerenes

International Nuclear Information System (INIS)

Kuzmany, H.

1993-01-01

Since 1991, research in the field of organic carbon materials has developed at a rapid pace due to the advent of the fullerenes and related materials. These forms of carbon are considered as a missing link between the previously discussed electroactive polymers and the oxidic superconductors. It was therefore challenging to select this topic for an international winter school in Kirchberg. Although still in its infancy, research on the physics and chemistry of fullerenes and related compounds has already led to a wealth of results, which was reflected in the wide range of topics covered and the numerous discussions which emerged at the meeting. For C 60 itself, preparation methods and crystal growth techniques continue to evolve, while the understanding of the electronic and structural properties of its solid state continues to pose challenges to experimental and theoretical physicists. The ever-expanding range of higher fullerens and related materials, such as nanotubes and onions, poses a daunting but exciting task for researchers. For synthetic chemists, fullerenes represent the basis of a whole new range of synthetic compounds. The prospect of a periodic table of endohedral fullerene complexes has been discussed, and exohedrally complexed metal-fullerenes have already attracted the attention of physicists. The first endohedral materials are now available. (orig.)

Martensitic nature of δ → γ allotropic transformation in plutonium

International Nuclear Information System (INIS)

Lopez, P.C.; Cost, J.R.; Axler, K.M.

1996-09-01

Isothermal and isoplethal studies using differential scanning calorimetry have been conducted to characterize the allotropic transformations of plutonium. The δ-γ transformation (upon cooling) was observed to have a classic martensitic nature. The work described herein is the first quantitative study of this phenomena in plutonium

Study of allotropic transformations in plutonium

International Nuclear Information System (INIS)

Spriet, B.

1966-06-01

The allotropic transformations in plutonium have been studied by different methods: metallography, dilatometry, thermal analysis, resistivity measurements, examination with a hot stage microscope. In order to study the importance of the purity, purification process such as zone-melting or electro-diffusion have been developed. The characteristics of the α ↔ β transformation can be explained in terms of the influence of internal stresses on the transition temperature and on the transformation kinetics. Some particular characteristics of δ → γ, γ → α, δ ↔ ε, β ↔ γ and δ → α transformations are also given. (author) [fr

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....

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.

Production of anti-fullerene C{sub 60} polyclonal antibodies and study of their interaction with a conjugated form of fullerene

Energy Technology Data Exchange (ETDEWEB)

Hendrickson, O. D., E-mail: odhendrick@gmail.com; Fedyunina, N. S. [Russian Academy of Sciences, Institute of Biochemistry (Russian Federation); Martianov, A. A. [Moscow State University (Russian Federation); Zherdev, A. V.; Dzantiev, B. B. [Russian Academy of Sciences, Institute of Biochemistry (Russian Federation)

2011-09-15

The aim of this study was to produce anti-fullerene C{sub 60} antibodies for the development of detection systems for fullerene C{sub 60} derivatives. To produce anti-fullerene C{sub 60} antibodies, conjugates of the fullerene C{sub 60} carboxylic derivative with thyroglobulin, soybean trypsin inhibitor, and bovine serum albumin were synthesized by carbodiimide activation and characterized. Immunization of rabbits by the conjugates led to the production of polyclonal anti-fullerene antibodies. The specificity of the immune response to fullerene was investigated. Indirect competitive immunoenzyme assay was developed for the determination of conjugated fullerene with detection limits of 0.04 ng/mL (calculated for coupled C{sub 60}) and 0.4 ng/mL (accordingly to total fullerene-protein concentration).

Phosphorus K4 Crystal: A New Stable Allotrope

OpenAIRE

Jie Liu; Shunhong Zhang; Yaguang Guo; Qian Wang

2016-01-01

The intriguing properties of phosphorene motivate scientists to further explore the structures and properties of phosphorus materials. Here, we report a new allotrope named K 4 phosphorus composed of three-coordinated phosphorus atoms in non-layered structure which is not only dynamically and mechanically stable, but also possesses thermal stability comparable to that of the orthorhombic black phosphorus (A17). Due to its unique configuration, K 4 phosphorus exhibits exceptional properties: i...

Electron energy-loss spectroscopy of single nanocrystals: mapping of tin allotropes

Science.gov (United States)

Roesgaard, Søren; Ramasse, Quentin; Chevallier, Jacques; Fyhn, Mogens; Julsgaard, Brian

2018-05-01

Using monochromated electron energy-loss spectroscopy (EELS), we are able to map different allotropes in Sn-nanocrystals embedded in Si. It is demonstrated that α-Sn and β-Sn, as well as an interface related plasmon, can be distinguished in embedded Sn-nanostructures. The EELS data is interpreted by standard non-negative matrix factorization followed by a manual Lorentzian decomposition. The decomposition allows for a more physical understanding of the EELS mapping without reducing the level of information. Extending the analysis from a reference system to smaller nanocrystals demonstrates that allotrope determination in nanoscale systems down below 5 nm is possible. Such local information proves the use of monochromated EELS mapping as a powerful technique to study nanoscale systems. This possibility enables investigation of small nanostructures that cannot be investigated through other means, allowing for a better understanding and thus leading to realizations that can result in nanomaterials with improved properties.

Silicon Framework Allotropes for Li-ion and Na-ion Batteries: New Insight for a Reversible Capacity.

Science.gov (United States)

Marzouk, Asma; Soto, Fernando; Burgos, Juan; Balbuena, Perla; El-Mellouhi, Fadwa

Silicon has the capacity to host a large amount of Li which makes it an attractive anode material despite suffering from swelling problem leading to irreversible capacity loss. The possibility of an easy extraction of Na atoms from Si24Na4 inspired us to adopt the Si24 as an anode material for Lithium-ion and sodium-ion Batteries. Using DFT, we evaluate the specific capacity and the intercalation potential of Si24 allotrope. Enhanced capacities are sought by designing a new silicon allotrope. We demonstrated that these Si24 allotropes show a negligible volume expansion and conserve their periodic structures after the maximum insertion/disinsertion of the ions which is crucial to prevent the capacity loss during cycling. DFT and ab-initio molecular dynamics (AIMD) studies give insights on the most probable surface adsorption and reaction sites, lithiation and sodiation, as well as initial stages of SEI formation and ionic diffusion. Qatar National Research Fund (QNRF) (NPRP 7-162-2-077).

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.

Si96: A New Silicon Allotrope with Interesting Physical Properties

Directory of Open Access Journals (Sweden)

Qingyang Fan

2016-04-01

Full Text Available The structural mechanical properties and electronic properties of a new silicon allotrope Si96 are investigated at ambient pressure by using a first-principles calculation method with the ultrasoft pseudopotential scheme in the framework of generalized gradient approximation. The elastic constants and phonon calculations reveal that Si96 is mechanically and dynamically stable at ambient pressure. The conduction band minimum and valence band maximum of Si96 are at the R and G point, which indicates that Si96 is an indirect band gap semiconductor. The anisotropic calculations show that Si96 exhibits a smaller anisotropy than diamond Si in terms of Young’s modulus, the percentage of elastic anisotropy for bulk modulus and shear modulus, and the universal anisotropic index AU. Interestingly, most silicon allotropes exhibit brittle behavior, in contrast to the previously proposed ductile behavior. The void framework, low density, and nanotube structure make Si96 quite attractive for applications such as hydrogen storage and electronic devices that work at extreme conditions, and there are potential applications in Li-battery anode materials.

Hydrogenated fullerenes in space: FT-IR spectra analysis

Energy Technology Data Exchange (ETDEWEB)

El-Barbary, A. A. [Physics Department, Faculty of Education, Ain-Shams University, Cairo, Egypt Physics Department, Faculty of Science, Jazan University, Jazan (Saudi Arabia)

2016-06-10

Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C{sub 20} and C{sub 60} fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H{sub 2} molecule at peak around 4440 cm{sup −1}. However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

Hydrogenated fullerenes in space: FT-IR spectra analysis

International Nuclear Information System (INIS)

El-Barbary, A. A.

2016-01-01

Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C 20 and C 60 fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H 2 molecule at peak around 4440 cm −1 . However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

Carbon-Based Nanomaterials/Allotropes: A Glimpse of Their Synthesis, Properties and Some Applications

Science.gov (United States)

Zainal, Zulkarnain; Yusof, Nor Azah

2018-01-01

Carbon in its single entity and various forms has been used in technology and human life for many centuries. Since prehistoric times, carbon-based materials such as graphite, charcoal and carbon black have been used as writing and drawing materials. In the past two and a half decades or so, conjugated carbon nanomaterials, especially carbon nanotubes, fullerenes, activated carbon and graphite have been used as energy materials due to their exclusive properties. Due to their outstanding chemical, mechanical, electrical and thermal properties, carbon nanostructures have recently found application in many diverse areas; including drug delivery, electronics, composite materials, sensors, field emission devices, energy storage and conversion, etc. Following the global energy outlook, it is forecasted that the world energy demand will double by 2050. This calls for a new and efficient means to double the energy supply in order to meet the challenges that forge ahead. Carbon nanomaterials are believed to be appropriate and promising (when used as energy materials) to cushion the threat. Consequently, the amazing properties of these materials and greatest potentials towards greener and environment friendly synthesis methods and industrial scale production of carbon nanostructured materials is undoubtedly necessary and can therefore be glimpsed as the focal point of many researchers in science and technology in the 21st century. This is based on the incredible future that lies ahead with these smart carbon-based materials. This review is determined to give a synopsis of new advances towards their synthesis, properties, and some applications as reported in the existing literatures. PMID:29438327

Carbon-Based Nanomaterials/Allotropes: A Glimpse of Their Synthesis, Properties and Some Applications

Directory of Open Access Journals (Sweden)

Salisu Nasir

2018-02-01

Full Text Available Carbon in its single entity and various forms has been used in technology and human life for many centuries. Since prehistoric times, carbon-based materials such as graphite, charcoal and carbon black have been used as writing and drawing materials. In the past two and a half decades or so, conjugated carbon nanomaterials, especially carbon nanotubes, fullerenes, activated carbon and graphite have been used as energy materials due to their exclusive properties. Due to their outstanding chemical, mechanical, electrical and thermal properties, carbon nanostructures have recently found application in many diverse areas; including drug delivery, electronics, composite materials, sensors, field emission devices, energy storage and conversion, etc. Following the global energy outlook, it is forecasted that the world energy demand will double by 2050. This calls for a new and efficient means to double the energy supply in order to meet the challenges that forge ahead. Carbon nanomaterials are believed to be appropriate and promising (when used as energy materials to cushion the threat. Consequently, the amazing properties of these materials and greatest potentials towards greener and environment friendly synthesis methods and industrial scale production of carbon nanostructured materials is undoubtedly necessary and can therefore be glimpsed as the focal point of many researchers in science and technology in the 21st century. This is based on the incredible future that lies ahead with these smart carbon-based materials. This review is determined to give a synopsis of new advances towards their synthesis, properties, and some applications as reported in the existing literatures.

Fullerenes, PAHs, Amino Acids and High Energy Astrophysics

Directory of Open Access Journals (Sweden)

Susana Iglesias-Groth

2014-12-01

Full Text Available We present theoretical, observational and laboratory work on the spectral properties of fullerenes and hydrogenated fullerenes. Fullerenes in its various forms (individual, endohedral, hydrogenated, etc. can contribute to the UV bump in the extinction curves measured in many lines of sight of the Galaxy. They can also produce a large number of absorption features in the optical and near infrared which could be associated with diffuse interstellar bands. We summarise recent laboratory work on the spectral characterisation of fullerenes and hydrogenated fullerenes (for a range of temperatures. The recent detection of mid-IR bands of fullerenes in various astrophysical environments (planetary nebulae, reflection nebulae provide additional evidence for a link between fullerene families and diffuse interstellar bands. We describe recent observational work on near IR bands of C60+ in a protoplanetary nebula which support fullerene formation during the post-AGB phase. We also report on the survival of fullerenes to irradiation by high energy particles and gamma photons and laboratory work to explore the chemical  reactions that take place when fullerenes are exposed to this radiations in the presence of water, ammonia and other molecules as a potential path to form amino acids.

High pressure synthesis and investigations of properties of boron allotropes and boron carbide

International Nuclear Information System (INIS)

Chuvashova, Irina

2017-01-01

This work aimed at the development of the high-pressure high-temperature (HPHT) synthesis of single crystals of boron allotropes and boron-rich compounds, which could be used further for precise investigations of their structures, properties, and behavior at extreme conditions. To summarize, the present work resulted in the HPHT synthesis of the first previously unknown non-icosahedral boron allotrope ζ-B. This finding confirmed earlier theoretical predictions, which stayed unproven for decades because of experimental challenges which couldn't be overcome until recently. Structural stability of α-B and β-B in the Mbar pressure range and B 13 C 2 up to 68 GPa was experimentally proven. Accurate measurements of the unit cell and B 12 icosahedra volumes of the stoichiometric boron carbide B 13 C 2 as a function of pressure led to conclusion that they undergo a similar reduction upon compression that is typical for covalently bonded solids. Neither 'molecular-like' nor 'inversed molecular-like' solid behavior upon compression was detected that has closed a long-standing scientific dispute. A comparison of the compressional behavior of B 13 C 2 with that of α-B and γ-B allotropes and B 4 C showed that it is determined by the types of bonding involved in the course of compression.

High pressure synthesis and investigations of properties of boron allotropes and boron carbide

Energy Technology Data Exchange (ETDEWEB)

Chuvashova, Irina

2017-06-12

This work aimed at the development of the high-pressure high-temperature (HPHT) synthesis of single crystals of boron allotropes and boron-rich compounds, which could be used further for precise investigations of their structures, properties, and behavior at extreme conditions. To summarize, the present work resulted in the HPHT synthesis of the first previously unknown non-icosahedral boron allotrope ζ-B. This finding confirmed earlier theoretical predictions, which stayed unproven for decades because of experimental challenges which couldn't be overcome until recently. Structural stability of α-B and β-B in the Mbar pressure range and B{sub 13}C{sub 2} up to 68 GPa was experimentally proven. Accurate measurements of the unit cell and B{sub 12} icosahedra volumes of the stoichiometric boron carbide B{sub 13}C{sub 2} as a function of pressure led to conclusion that they undergo a similar reduction upon compression that is typical for covalently bonded solids. Neither 'molecular-like' nor 'inversed molecular-like' solid behavior upon compression was detected that has closed a long-standing scientific dispute. A comparison of the compressional behavior of B{sub 13}C{sub 2} with that of α-B and γ-B allotropes and B{sub 4}C showed that it is determined by the types of bonding involved in the course of compression.

Production of Sulfur Allotropes in Electron Irradiated Jupiter Trojans Ice Analogs

Science.gov (United States)

Mahjoub, Ahmed; Poston, Michael J.; Blacksberg, Jordana; Eiler, John M.; Brown, Michael E.; Ehlmann, Bethany L.; Hodyss, Robert; Hand, Kevin P.; Carlson, Robert; Choukroun, Mathieu

2017-09-01

In this paper, we investigate sulfur chemistry in laboratory analogs of Jupiter Trojans and Kuiper Belt Objects (KBOs). Electron irradiation experiments of CH3OH-NH3-H2O and H2S-CH3OH-NH3-H2O ices were conducted to better understand the chemical differences between primordial planetesimals inside and outside the sublimation line of H2S. The main goal of this work is to test the chemical plausibility of the hypothesis correlating the color bimodality in Jupiter Trojans with sulfur chemistry in the incipient solar system. Temperature programmed desorption (TPD) of the irradiated mixtures allows the detection of small sulfur allotropes (S3 and S4) after the irradiation of H2S containing ice mixtures. These small, red polymers are metastable and could polymerize further under thermal processing and irradiation, producing larger sulfur polymers (mainly S8) that are spectroscopically neutral at wavelengths above 500 nm. This transformation may affect the spectral reflectance of Jupiter Trojans in a different way compared to KBOs, thereby providing a useful framework for possibly differentiating and determining the formation and history of small bodies. Along with allotropes, we report the production of organo-sulfur molecules. Sulfur molecules produced in our experiment have been recently detected by Rosetta in the coma of 67P/Churyumov-Gerasimenko. The very weak absorption of sulfur polymers in the infrared range hampers their identification on Trojans and KBOs, but these allotropes strongly absorb light at UV and Visible wavelengths. This suggests that high signal-to-noise ratio UV-Vis spectra of these objects could provide new constraints on their presence.

Fullerenic structures and such structures tethered to carbon materials

Science.gov (United States)

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

2010-01-05

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.

Polyethene with pendant fullerene moieties

NARCIS (Netherlands)

Zhang, XC; Sieval, AB; Hummelen, JC; Hessen, B; Zhang, Xiaochun

2005-01-01

Polyethene with fullerene moieties pendant on short-chain branches was prepared by the catalytic copolymerisation of ethene and a fullerene-containing vinylic comonomer, yielding polyethene copolymers containing up to 25 wt% of C-60.

Roll-coating fabrication of flexible organic solar cells: comparison of fullerene and fullerene-free systems

DEFF Research Database (Denmark)

Liu, Kuan; Larsen-Olsen, Thue Trofod; Lin, Yuze

2016-01-01

Flexible organic solar cells (OSCs) based on a blend of low-bandgap polymer donor PTB7-TH and nonfullerene small molecule acceptor IEIC were fabricated via a roll-coating process under ambient atmosphere. Both an indium tin oxide (ITO)-free substrate and a flexible ITO substrate were employed...... in these inverted OSCs. OSCs with flexible ITO and ITO-free substrates exhibited power conversion efficiencies (PCEs) up to 2.26% and 1.79%, respectively, which were comparable to those of the reference devices based on fullerene acceptors under the same conditions. This is the first example for all roll......-coating fabrication procedures for flexible OSCs based on non-fullerene acceptors with the PCE exceeding 2%. The fullerene-free OSCs exhibited better dark storage stability than the fullerene-based control devices....

Reactive microencapsulation of carbon allotropes in polyamide shell-core structures and their transformation in hybrid composites with tailored electrical properties

Directory of Open Access Journals (Sweden)

F. Oliveira

2016-02-01

Full Text Available Polyamide 6 microcapsules (PAMC loaded with 2–10 wt% of different carbon allotropes: carbon black, multiwalled carbon nanotubes, carbon nanofibers and graphite were synthesized via activated anionic polymerization (AAROP of ε-caprolactam in solution performed in the presence of the respective micro- or nanosized loads. The forming high-molecular weight microporous PAMC showed typical diameters of 15–35 µm, the filler particles being entrapped in the core as proven by microscopy methods. The melt processing of the loaded microcapsules produced PA6/C-filler hybrid thermoplastic composites with homogeneous distribution of one or two C-fillers even at loads of up to 10% without any functionalization. The crystalline structure of all PAMC and molded composites was studied by thermal and X-ray diffraction methods focusing on possible structure modification during the transition from PAMC to molded plates. Mechanical tests in tension and electrical conductivity measurements showed that transforming loaded PAMC into composites by melt processing could be a facile and rapid method to fabricate polyamide composites with improved mechanical performance and tailored electrical and dielectric properties.

Production of Sulfur Allotropes in Electron Irradiated Jupiter Trojans Ice Analogs

Energy Technology Data Exchange (ETDEWEB)

Mahjoub, Ahmed; Poston, Michael J.; Blacksberg, Jordana; Ehlmann, Bethany L.; Hodyss, Robert; Hand, Kevin P.; Carlson, Robert; Choukroun, Mathieu [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Eiler, John M.; Brown, Michael E., E-mail: Mahjoub.Ahmed@jpl.nasa.gov [California Institute of Technology, Division of Geological and Planetary Sciences, Pasadena, CA 91125 (United States)

2017-09-10

In this paper, we investigate sulfur chemistry in laboratory analogs of Jupiter Trojans and Kuiper Belt Objects (KBOs). Electron irradiation experiments of CH{sub 3}OH–NH{sub 3}–H{sub 2}O and H{sub 2}S–CH{sub 3}OH–NH{sub 3}–H{sub 2}O ices were conducted to better understand the chemical differences between primordial planetesimals inside and outside the sublimation line of H{sub 2}S. The main goal of this work is to test the chemical plausibility of the hypothesis correlating the color bimodality in Jupiter Trojans with sulfur chemistry in the incipient solar system. Temperature programmed desorption (TPD) of the irradiated mixtures allows the detection of small sulfur allotropes (S{sub 3} and S{sub 4}) after the irradiation of H{sub 2}S containing ice mixtures. These small, red polymers are metastable and could polymerize further under thermal processing and irradiation, producing larger sulfur polymers (mainly S{sub 8}) that are spectroscopically neutral at wavelengths above 500 nm. This transformation may affect the spectral reflectance of Jupiter Trojans in a different way compared to KBOs, thereby providing a useful framework for possibly differentiating and determining the formation and history of small bodies. Along with allotropes, we report the production of organo-sulfur molecules. Sulfur molecules produced in our experiment have been recently detected by Rosetta in the coma of 67P/Churyumov–Gerasimenko. The very weak absorption of sulfur polymers in the infrared range hampers their identification on Trojans and KBOs, but these allotropes strongly absorb light at UV and Visible wavelengths. This suggests that high signal-to-noise ratio UV–Vis spectra of these objects could provide new constraints on their presence.

Recent progresses in application of fullerenes in cosmetics.

Science.gov (United States)

Lens, Marko

2011-08-01

Cosmetic industry is a fast growing industry with the continuous development of new active ingredients for skin care products. Fullerene C(60) and its derivates have been subject of intensive research in the last few years. Fullerenes display a wide range of different biological activities. Strong antioxidant capacities and effective quenching radical oxygen species (ROS) made fullerenes suitable active compounds in the formulation of skin care products. Published evidence on biological activities of fullerenes relevant for their application in cosmetics use and examples of published patents are presented. Recent trends in the use of fullerenes in topical formulations and patents are reviewed. Future investigations covering application of fullerenes in skin care are discussed.

Physical properties of organic fullerene cocrystals

Science.gov (United States)

Macovez, Roberto

2017-12-01

The basic facts and fundamental properties of binary fullerene cocrystals are reviewed, focusing especially on solvates and salts of Buckminsterfullerene (C60), and hydrates of hydrophilic C60 derivatives. The examined properties include the lattice structure and the presence of orientational disorder and/or rotational dynamics (of both fullerenes and cocrystallizing moieties), thermodynamic properties such as decomposition enthalpies, and charge transport properties. Both thermodynamic properties and molecular orientational disorder shed light on the extent of intermolecular interactions in these binary solid-state systems. Comparison is carried out also with pristine fullerite and with the solid phases of functionalized C60. Interesting experimental findings on binary fullerene cocrystals include the simultaneous occurrence of rotations of both constituent molecular species, crystal morphologies reminiscent of quasi-crystalline behaviour, the observation of proton conduction in hydrate solids of hydrophilic fullerene derivatives, and the production of super-hard carbon materials by application of high pressures on solvated fullerene crystals.

Special graphites; Graphites speciaux

Energy Technology Data Exchange (ETDEWEB)

Leveque, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1964-07-01

A large fraction of the work undertaken jointly by the Commissariat a l'Energie Atomique (CEA) and the Pechiney Company has been the improvement of the properties of nuclear pile graphite and the opening up of new fields of graphite application. New processes for the manufacture of carbons and special graphites have been developed: forged graphite, pyro-carbons, high density graphite agglomeration of graphite powders by cracking of natural gas, impervious graphites. The physical properties of these products and their reaction with various oxidising gases are described. The first irradiation results are also given. (authors) [French] Ameliorer les proprietes du graphite nucleaire pour empilements et ouvrir de nouveaux domaines d'application au graphite constituent une part importante de l'effort entrepris en commun par le Commissariat a l'Energie Atomique (CEA) et la compagnie PECHINEY. Des procedes nouveaux de fabrication de carbones et graphites speciaux ont ete mis au point: graphite forge, pyrocarbone, graphite de haute densite, agglomeration de poudres de graphite par craquage de gaz naturel, graphites impermeables. Les proprietes physiques de ces produits ainsi que leur reaction avec differents gaz oxydants sont decrites. Les premiers resultats d'irradiation sont aussi donnes. (auteurs)

Reactive molecular dynamics simulations of the mechanical properties of various phosphorene allotropes

Science.gov (United States)

Le, Minh-Quy

2018-05-01

Although various phosphorene allotropes have been theoretically predicted to be stable at 0 K, the mechanical properties and fracture mechanism at room temperature remain unclear for many of them. We investigate through reactive molecular dynamics simulations at room temperature the mechanical properties of phosphorene allotropes including: five sheets with hexagonal structures (β-, γ-, δ-, θ-, and α-phosphorene), one sheet with 4-8 membered rings (4-8-P), and two sheets with 5-7 membered rings. High, moderate and slight anisotropies in their mechanical properties are observed, depending on their crystal structures. Their Young’s moduli and tensile strength are approximately in the range from 7.3% through 25%, and from 8.6% through 22% of those of graphene, respectively. At the early stage of fracture, eye-shaped cracks are formed by local bond breaking and perpendicular to the tensile direction in hexagonal and 4-8-P sheets. Complete fractures take place with straight cracks in these hexagonal sheets under tension along the zigzag direction and under tension along the square edge direction in the 4-8-P sheet. Crack meandering and branching are observed during the tension of α-, β-, and γ-phosphorene along the armchair direction; and along the square diagonal direction in the 4-8-P sheet. Under uniaxial tension of two phosphorene sheets with 5-7 atom rings, 12 and 10 membered rings are formed by merging two neighbor heptagons, and a heptagon and its neighbor pentagon, respectively. These 12 and 10 membered rings coalesce subsequently, causing the failure of these two sheets. The results are of great importance in the design of these novel phosphorene allotropes.

Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

International Nuclear Information System (INIS)

Zope, Rajendra R.; Baruah, Tunna; Bhusal, Shusil; Basurto, Luis; Jackson, Koblar

2015-01-01

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 60 @C 240 and C 60 @C 180 onions shows that, compared to the polarizability of isolated C 60 fullerene, the encapsulation of the C 60 in C 240 and C 180 fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C 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

Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

Science.gov (United States)

Zope, Rajendra R.; Bhusal, Shusil; Basurto, Luis; Baruah, Tunna; Jackson, Koblar

2015-08-01

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 C60@C240 and C60@C180 onions shows that, compared to the polarizability of isolated C60 fullerene, the encapsulation of the C60 in C240 and C180 fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C60 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.

Non-fullerene electron acceptors for organic photovoltaic devices

Energy Technology Data Exchange (ETDEWEB)

Jenekhe, Samson A.; Li, Haiyan; Earmme, Taeshik; Ren, Guoqiang

2017-11-07

Non-fullerene electron acceptors for highly efficient organic photovoltaic devices are described. The non-fullerene electron acceptors have an extended, rigid, .pi.-conjugated electron-deficient framework that can facilitate exciton and charge derealization. The non-fullerene electron acceptors can physically mix with a donor polymer and facilitate improved electron transport. The non-fullerene electron acceptors can be incorporated into organic electronic devices, such as photovoltaic cells.

C{sub 60} fullerene decoration of carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Demin, V. A., E-mail: victordemin88@gmail.com [Russian Academy of Sciences, Emanuel Institute of Biochemical Physics (Russian Federation); Blank, V. D.; Karaeva, A. R.; Kulnitskiy, B. A.; Mordkovich, V. Z. [Technological Institute for Superhard and Novel Carbon Materials (Russian Federation); Parkhomenko, Yu. N. [National University of Science and Technology MISiS (Russian Federation); Perezhogin, I. A.; Popov, M. Yu. [Technological Institute for Superhard and Novel Carbon Materials (Russian Federation); Skryleva, E. A. [National University of Science and Technology MISiS (Russian Federation); Urvanov, S. A. [Technological Institute for Superhard and Novel Carbon Materials (Russian Federation); Chernozatonskii, L. A. [Russian Academy of Sciences, Emanuel Institute of Biochemical Physics (Russian Federation)

2016-12-15

A new fully carbon nanocomposite material is synthesized by the immersion of carbon nanotubes in a fullerene solution in carbon disulfide. The presence of a dense layer of fullerene molecules on the outer nanotube surface is demonstrated by TEM and XPS. Fullerenes are redistributed on the nanotube surface during a long-term action of an electron beam, which points to the existence of a molecular bond between a nanotube and fullerenes. Theoretical calculations show that the formation of a fullerene shell begins with the attachment of one C{sub 60} molecule to a defect on the nanotube surface.

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

Transmutation of fullerenes.

Science.gov (United States)

Cross, R James; Saunders, Martin

2005-03-09

Fullerenes were pyrolyzed by subliming them into a stream of flowing argon gas and then passing them through an oven heated to approximately 1000 degrees C. C(76), C(78), and C(84) all readily lost carbons to form smaller fullerenes. In the case of C(78), some isomerization was seen. Pyrolysis of (3)He@C(76) showed that all or most of the (3)He was lost during the decomposition. C(60) passes through the apparatus with no decomposition and no loss of helium.

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.

Competitive photometric enzyme immunoassay for fullerene C60 and its derivatives using a fullerene conjugated to horseradish peroxidase

International Nuclear Information System (INIS)

Hendrickson, Olga D.; Smirnova, Natalya I.; Zherdev, Anatoly V.; Dzantiev, Boris B.; Sveshnikov, Peter G.

2016-01-01

The article describes a highly sensitive single-step microplate enzyme immunoassay of the ELISA type for fullerene C 60 and its derivatives. Monoclonal anti-fullerene antibodies and a conjugate between fullerene and horseradish peroxidase were used as specific reagents. A direct competitive ELISA was carried out that was based on antibodies immobilized in the well of a microtiter plate, a peroxidase-labeled antigen, and detection via the dye formed from 3,3′,5,5′-tetramethylbenzidine and hydrogen peroxide. Both pristine fullerene C 60 and its water-soluble forms can be determined. The detection limits are 1.5 ng∙mL −1 for fullerene C 60 , and between 0.1 and 1.3 ng∙mL −1 for its derivatives. This ELISA format allows for almost two-fold reduction of the time needed for the assay in comparison to indirect scheme with labeled antibodies. (author)

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...

Allotropic transformation bcc in equilibrium hcp in zirconium

International Nuclear Information System (INIS)

Akhtar, A.

1976-01-01

The allotropic transformation hcp(α) in equilibrium bcc(β) was examined in crystal bar zirconium. The β → α transformation is massive type in melt grown crystals of β--Zr. Upon thermal cycling through α → β → α the bcc → hcp transformation occurs frequently through a shear process and less frequently through a massive transformation. The presence of α → β transformation substructure may favor the operation of the shear mode. The hcp → bcc phase change occurs through a massive transformation. A lack of transformation memory is associated with the process of thermal cycling. 11 fig., 3 tables

Fullerenes doped with metal halides

International Nuclear Information System (INIS)

Martin, T.P.; Heinebrodt, M.; Naeher, U.; Goehlich, H.; Lange, T.; Schaber, H.

1993-01-01

The cage-like structure of fullerenes is a challenge to every experimental to put something inside - to dope the fullerenes. In fact, the research team that first identified C 60 as a football-like molecule quickly succeeded in trapping metal atoms inside and in shrinking the cage around this atom by photofragmentation. In this paper we report the results of ''shrink-wrapping'' the fullerenes around metal halide molecules. Of special interest is the critical size (the minimum number of carbon atoms) that can still enclose the dopant. A rough model for the space available inside a carbon cage gives good agreement with the measured shrinking limits. (author). 8 refs, 6 figs

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.

Fullerene solubility-current density relationship in polymer solar cells

International Nuclear Information System (INIS)

Renz, Joachim A.; Gobsch, Gerhard; Hoppe, Harald; Troshin, Pavel A.; Razumov, V.F.

2008-01-01

During the last decade polymer solar cells have undergone a steady increase in overall device efficiency. To date, essential efficiency improvements of polymer-fullerene solar cells require the development of new materials. Whilst most research efforts aim at an improved or spectrally extended absorption of the donor polymer, not so much attention has been paid to the fullerene properties themselves. We have investigated a number of structurally related fullerenes, in order to study the relationship between chemical structure and resulting polymer-fullerene bulk heterojunction photovoltaic properties. Our study reveals a clear connection between the fullerene solubility as material property on one hand and the solar cells short circuit photocurrent on the other hand. The tendency of the less soluble fullerene derivates to aggregate was accounted for smaller current densities in the respective solar cells. Once a minimum solubility of approx. 25 mg/ml in chlorobenzene was overcome by the fullerene derivative, the short circuit current density reached a plateau, of about 8-10 mA/cm 2 . Thus the solubility of the fullerene derivative directly influences the blend morphology and displays an important parameter for efficient polymer-fullerene bulk heterojunction solar cell operation. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2008], Wiley Periodicals, Inc.)

Brazing graphite to graphite

International Nuclear Information System (INIS)

Peterson, G.R.

1976-01-01

Graphite is joined to graphite by employing both fine molybdenum powder as the brazing material and an annealing step that together produce a virtually metal-free joint exhibiting properties similar to those found in the parent graphite. Molybdenum powder is placed between the faying surfaces of two graphite parts and melted to form molybdenum carbide. The joint area is thereafter subjected to an annealing operation which diffuses the carbide away from the joint and into the graphite parts. Graphite dissolved by the dispersed molybdenum carbide precipitates into the joint area, replacing the molybdenum carbide to provide a joint of graphite

Enthalpies of sublimation of fullerenes by thermogravimetry

Energy Technology Data Exchange (ETDEWEB)

Martínez-Herrera, Melchor; Campos, Myriam; Torres, Luis Alfonso; Rojas, Aarón, E-mail: arojas@cinvestav.mx

2015-12-20

Graphical abstract: - Highlights: • Enthalpies of sublimation of fullerenes were measured by thermogravimetry. • Results of enthalpies of sublimation are comparable with data reported in literature. • Not previously reported enthalpy of sublimation of C{sub 78} is supplied in this work. • Enthalpies of sublimation show a strong dependence with the number of carbon atoms in the cluster. • Enthalpies of sublimation are congruent with dispersion forces ruling cohesion of solid fullerene. - Abstract: The enthalpies of sublimation of fullerenes, as measured in the interval of 810–1170 K by thermogravimetry and applying the Langmuir equation, are reported. The detailed experimental procedure and its application to fullerenes C{sub 60}, C{sub 70}, C{sub 76}, C{sub 78} and C{sub 84} are supplied. The accuracy and uncertainty associated with the experimental results of the enthalpy of sublimation of these fullerenes show that the reliability of the measurements is comparable to that of other indirect high-temperature methods. The results also indicate that the enthalpy of sublimation increases proportionally to the number of carbon atoms in the cluster but there is also a strong correlation between the enthalpy of sublimation and the polarizability of each fullerene.

PREFACE: Fullerene Nano Materials (Symposium of IUMRS-ICA2008)

Science.gov (United States)

Miyazawa, Kun'ichi; Fujita, Daisuke; Wakahara, Takatsugu; Kizuka, Tokushi; Matsuishi, Kiyoto; Ochiai, Yuichi; Tachibana, Masaru; Ogata, Hironori; Mashino, Tadahiko; Kumashiro, Ryotaro; Oikawa, Hidetoshi

2009-07-01

This volume contains peer-reviewed invited and contributed papers that were presented in Symposium N 'Fullerene Nano Materials' at the IUMRS International Conference in Asia 2008 (IUMRS-ICA 2008), which was held on 9-13 December 2008, at Nagoya Congress Center, Nagoya, Japan. Over twenty years have passed since the discovery of C60 in 1985. The discovery of superconductivity of C60 in 1991 suggested infinite possibilities for fullerenes. On the other hand, a new field of nanocarbon has been developed recently, based on novel functions of the low-dimensional fullerene nanomaterials that include fullerene nanowhiskers, fullerene nanotubes, fullerene nanosheets, chemically modified fullerenes, endohedral fullerenes, thin films of fullerenes and so forth. Electrical, electrochemical, optical, thermal, mechanical and various other properties of fullerene nanomaterials have been investigated and their novel and anomalous nature has been reported. Biological properties of fullerene nanomaterials also have been investigated both in medical applications and toxicity aspects. The recent research developments of fullerene nanomaterials cover a variety of categories owing to their functional diversity. This symposium aimed to review the progress in the state-of-the-art technology based on fullerenes and to offer the forum for active interdisciplinary discussions. 24 oral papers containing 8 invited papers and 22 poster papers were presented at the two-day symposium. Topics on the social acceptance of nanomaterials including fullerene were presented on the first day of the symposium. Biological impacts of nanomaterials and the importance of standardization of nanomaterials characterization were also shown. On the second day, the synthesis, properties, functions and applications of various fullerene nanomaterials were shown in both the oral and poster presentations. We are grateful to all invited speakers and many participants for valuable contributions and active discussions

Biochemical activity of fullerenes and related derivatives

International Nuclear Information System (INIS)

Huczko, A.; Lange, H.; Calko, E.

1999-01-01

An astonishing scientific interest, embodied in over 15000 research articles so far, has been encountered since 1985 when fullerenes were discovered. From new superconductors to a rich electrochemistry and reaction chemistry, fullerene nanostructures continue to excite the scientific world, and new findings continue at record pace. This review presents many examples of the biochemical activities of fullerenes and derivatives, e. g. cytotoxic activity, selective DNA cleavage and antiviral activity against HIV. We also present some results of our testing which show that, despite its chemical and biochemical activity, fullerene matter does not present any health hazard directly related to skin irritation and allergic risks. (author)

Graphene macro-assembly-fullerene composite for electrical energy storage

Science.gov (United States)

Campbell, Patrick G.; Baumann, Theodore F.; Biener, Juergen; Merrill, Matthew; Montalvo, Elizabeth; Worsley, Marcus A.; Biener, Monika M.; Hernandez, Maira Raquel Ceron

2018-01-16

Disclosed here is a method for producing a graphene macro-assembly (GMA)-fullerene composite, comprising providing a GMA comprising a three-dimensional network of graphene sheets crosslinked by covalent carbon bonds, and incorporating at least 20 wt. % of at least one fullerene compound into the GMA based on the initial weight of the GMA to obtain a GMA-fullerene composite. Also described are a GMA-fullerene composite produced, an electrode comprising the GMA-fullerene composite, and a supercapacitor comprising the electrode and optionally an organic or ionic liquid electrolyte in contact with the electrode.

INFRARED STUDY OF FULLERENE PLANETARY NEBULAE

International Nuclear Information System (INIS)

García-Hernández, D. A.; Acosta-Pulido, J. A.; Manchado, A.; Villaver, E.; García-Lario, P.; Stanghellini, L.; Shaw, R. A.; Cataldo, F.

2012-01-01

We present a study of 16 planetary nebulae (PNe) where fullerenes have been detected in their Spitzer Space Telescope spectra. This large sample of objects offers a unique opportunity to test conditions of fullerene formation and survival under different metallicity environments because we are analyzing five sources in our own Galaxy, four in the Large Magellanic Cloud (LMC), and seven in the Small Magellanic Cloud (SMC). Among the 16 PNe studied, we present the first detection of C 60 (and possibly also C 70 ) fullerenes in the PN M 1–60 as well as of the unusual ∼6.6, 9.8, and 20 μm features (attributed to possible planar C 24 ) 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) and we interpret this as a possible consequence of the limited dust processing occurring in Magellanic Cloud (MC) PNe. 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 evolutionary status of the objects and similar fullerene formation conditions. Furthermore, the data suggest that fullerene PNe likely evolve from low-mass progenitors and are usually of low excitation. We do not find a metallicity dependence on the estimated fullerene abundances. The observed C 60 intensity ratios in the Galactic sources confirm our previous finding in the MCs that the fullerene emission is not excited by the UV radiation from the central star. CLOUDY models also show that line- and wind-blanketed model atmospheres can explain many of the observed [Ne III]/[Ne II] ratios using photoionization, suggesting that possibly the UV radiation from the central star, and not shocks, is triggering the decomposition

Intratracheal administration of fullerene nanoparticles activates splenic CD11b+ cells

International Nuclear Information System (INIS)

Ding, Ning; Kunugita, Naoki; Ichinose, Takamichi; Song, Yuan; Yokoyama, Mitsuru; Arashidani, Keiichi; Yoshida, Yasuhiro

2011-01-01

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.

Carboxylated Fullerene at the Oil/Water Interface.

Science.gov (United States)

Li, Rongqiang; Chai, Yu; Jiang, Yufeng; Ashby, Paul D; Toor, Anju; Russell, Thomas P

2017-10-04

The self-assembly of carboxylated fullerene with poly(styrene-b-2-vinylpyridine) (PS-b-P2VP) with different molecular weights, poly-2-vinylpyridine, and amine-terminated polystyrene, at the interface between toluene and water was investigated. For all values of the pH, the functionalized fullerene interacted with the polymers at the water/toluene interface, forming a nanoparticle network, reducing the interfacial tension. At pH values of 4.84 and 7.8, robust, elastic films were formed at the interface, such that hollow tubules could be formed in situ when an aqueous solution of the functionalized fullerene was jetted into a toluene solution of PS-b-P2VP at a pH of 4.84. With variation of the pH, the mechanical properties of the fullerene/polymer assemblies can be varied by tuning the strength of the interactions between the functionalized fullerenes and the PS-b-P2VP.

Specific features of fullerene-bearing thin film growth using ion beam vacuum sputtering of fullerene mixtures with B, Fe, Se, Gd and Na

International Nuclear Information System (INIS)

Semenov, A.P.; Semenova, I.A.; Bulina, N.V.; Lopatin, V.A.; Karmanov, N.S.; Churilov, G.N.

2005-01-01

A new approach to the growth of films containing fullerenes and doping elements is described. It is suggested that a cluster mechanism of the target sputtering by accelerated ions makes possible the deposition of fullerenes on a substrate with a certain probability for dopant atoms being introduced into the cavities of fullerene molecules and a higher probability of the doping element introduction between fullerene molecules. The proposed method has been experimentally implemented by using an Ar ion beam to sputter C 60 /C 70 fullerene mixtures, synthesized in a plasmachemical reactor at a pressure of 10 5 Pa and containing a doping element, i.e. Fe, Na, B, Gd or Se. Micron-thick films containing C 60 and C 70 fullerenes and the corresponding dopant element, i.e. Fe, Na, B, Gd or Se, were grown from dopant-containing fullerene mixtures by ion beam sputtering in a vacuum of ∼10 -2 Pa [ru

Resonance – Journal of Science Education | Indian Academy of ...

Indian Academy of Sciences (India)

Permanent link: https://www.ias.ac.in/article/fulltext/reso/020/02/0123-0135. Keywords. Fullerenes ; allotropes; C60; functionalization. Author Affiliations. Pradeep P Shanbogh1 Nalini G Sundaram1. Poornaprajna Institute of Scientific Research, City Campus No. 4, 16th Cross, Sadashivnagar, Bangalore 560 080, India.

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.

1997-12-31

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

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.

Simple method for determining fullerene negative ion formation★

Science.gov (United States)

Felfli, Zineb; Msezane, Alfred Z.

2018-04-01

A robust potential wherein is embedded the crucial core-polarization interaction is used in the Regge-pole methodology to calculate low-energy electron elastic scattering total cross section for the C60 fullerene in the electron impact energy range 0.02 ≤ E ≤ 10.0 eV. The energy position of the characteristic dramatically sharp resonance appearing at the second Ramsauer-Townsend minimum of the total cross section representing stable C60 - fullerene negative ion formation agrees excellently with the measured electron affinity of C60 [Huang et al., J. Chem. Phys. 140, 224315 (2014)]. The benchmarked potential and the Regge-pole methodology are then used to calculate electron elastic scattering total cross sections for selected fullerenes, from C54 through C240. The total cross sections are found to be characterized generally by Ramsauer-Townsend minima, shape resonances and dramatically sharp resonances representing long-lived states of fullerene negative ion formation. For the total cross sections of C70, C76, C78, and C84 the agreement between the energy positions of the very sharp resonances and the measured electron affinities is outstanding. Additionally, we compare our extracted energy positions of the resultant fullerene anions from our calculated total cross sections of the C86, C90 and C92 fullerenes with the estimated electron affinities ≥3.0 eV by the experiment [Boltalina et al., Rapid Commun. Mass Spectrom. 7, 1009 (1993)]. Resonance energy positions of other fullerenes, including C180 and C240 are also obtained. Most of the total cross sections presented in this paper are the first and only; our novel approach is general and should be applicable to other fullerenes as well and complex heavy atoms, such as the lanthanide atoms. We conclude with a remark on the catalytic properties of the fullerenes through their negative ions.

Activation of Persulfates by Graphitized Nanodiamonds for Removal of Organic Compounds.

Science.gov (United States)

Lee, Hongshin; Kim, Hyoung-Il; Weon, Seunghyun; Choi, Wonyong; Hwang, Yu Sik; Seo, Jiwon; Lee, Changha; Kim, Jae-Hong

2016-09-20

This study introduces graphited nanodiamond (G-ND) as an environmentally friendly, easy-to-regenerate, and cost-effective alternative catalyst to activate persulfate (i.e., peroxymonosulfate (PMS) and peroxydisulfate (PDS)) and oxidize organic compounds in water. The G-ND was found to be superior for persulfate activation to other benchmark carbon materials such as graphite, graphene, fullerene, and carbon nanotubes. The G-ND/persulfate showed selective reactivity toward phenolic compounds and some pharmaceuticals, and the degradation kinetics were not inhibited by the presence of oxidant scavengers and natural organic matter. These results indicate that radical intermediates such as sulfate radical anion and hydroxyl radical are not majorly responsible for this persulfate-driven oxidation of organic compounds. The findings from linear sweep voltammetry, thermogravimetric analysis, Fourier transform infrared spectroscopy, and electron paramagnetic resonance spectroscopy analyses suggest that the both persulfate and phenol effectively bind to G-ND surface and are likely to form charge transfer complex, in which G-ND plays a critical role in mediating facile electron transfer from phenol to persulfate.

Electron energy-loss spectroscopy on fullerenes and fullerene compounds

International Nuclear Information System (INIS)

Armbruster, J.

1996-03-01

A few years ago, a new form of pure carbon, the fullerenes, has been discovered, which shows many fascinating properties. Within this work the spatial and electronic structure of some selected fullerene compounds have been investigated by electron-energy-loss spectroscopy in transmission. Phase pure samples of alkali intercalated fullerides A x C 60 (A=Na, K, Cs) have been prepared using vacuum distillation. Measruements of K 3 C 60 show a dispersion of the charge carrier plasmon close to zero. This can be explained by calculations, which take into account both band structure and local-field (inhomogeneity) effects. The importance of the molecular structure can also be seen from the A 4 C 60 compounds, where the non-metallic properties are explained by a splitting of the t 1u and t 1g derived bands that is caused by electron-correlation and Jahn-Teller effects. First measurements of the electronic structure of Na x C 60 (x>6) are presented and reveal a complete transfer from the sodium atoms but an incomplete transfer onto the C 60 molecules. This behaviour can be explained by taking into account additional electronic states that are situated between the sodium atoms in the octahedral sites and are predicted by calculations using local density approximation. The crystal structure of the higher fullerenes C 76 and C 84 is found to be face-centered cubic

An analytical method for determination of fullerenes and functionalized fullerenes in soils with high performance liquid chromatography and UV detection

International Nuclear Information System (INIS)

Carboni, Andrea; Emke, Erik; Parsons, John R.; Kalbitz, Karsten; Voogt, Pim de

2014-01-01

Graphical abstract: -- Highlights: •A total of eight fullerenes can be analyzed in a single run with HPLC-UV. •The method allows the analysis of fullerenes in soil at relatively low concentrations. •The method developed is robust, highly reproducible and relatively efficient. •The method can be applied to the study of the environmental fate and toxicology of fullerenes. -- Abstract: Fullerenes are carbon-based nanomaterials expected to play a major role in emerging nanotechnology and produced at an increasing rate for industrial and household applications. In the last decade a number of novel compounds (i.e. fullerene derivatives) is being introduced into the market and specific analytical methods are needed for analytical purposes as well as environmental and safety issues. In the present work eight fullerenes (C60 and C70) and functionalized fullerenes (C60 and C70 exohedral-derivatives) were selected and a novel liquid chromatographic method was developed for their analysis with UV absorption as a method of detection. The resulting HPLC-UV method is the first one suitable for the analysis of all eight compounds. This method was applied for the analysis of fullerenes added to clayish, sandy and loess top-soils at concentrations of 20, 10 and 5 μg kg −1 and extracted with a combination of sonication and shaking extraction. The analytical method limits of detection (LoD) and limits of quantification (LoQ) were in the range of 6–10 μg L −1 and 15–24 μg L −1 respectively for the analytical solutions. The extraction from soil was highly reproducible with recoveries ranging from 47 ± 5 to 71 ± 4% whereas LoD and LoQ for all soils tested were of 3 μg kg −1 and 10 μg kg −1 respectively. No significant difference in the extraction performance was observed depending of the different soil matrices and between the different concentrations. The developed method can be applied for the study of the fate and toxicity of fullerenes in complex matrices

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...

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.

Micelle-encapsulated fullerenes in aqueous electrolytes

Energy Technology Data Exchange (ETDEWEB)

Ala-Kleme, T., E-mail: timo.ala-kleme@utu.fi [Department of Chemistry, University of Turku, 20014 Turku (Finland); Maeki, A.; Maeki, R.; Kopperoinen, A.; Heikkinen, M.; Haapakka, K. [Department of Chemistry, University of Turku, 20014 Turku (Finland)

2013-03-15

Different micellar particles Mi(M{sup +}) (Mi=Triton X-100, Triton N-101 R, Triton CF-10, Brij-35, M{sup +}=Na{sup +}, K{sup +}, Cs{sup +}) have been prepared in different aqueous H{sub 3}BO{sub 3}/MOH background electrolytes. It has been observed that these particles can be used to disperse the highly hydrophobic spherical [60]fullerene (1) and ellipsoidal [70]fullerene (2). This dispersion is realised as either micelle-encapsulated monomers Mi(M{sup +})1{sub m} and Mi(M{sup +})2{sub m} or water-soluble micelle-bound aggregates Mi(M{sup +})1{sub agg} and Mi(M{sup +})2{sub agg}, where especially the hydration degree and polyoxyethylene (POE) thickness of the micellar particle seems to play a role of vital importance. Further, the encapsulation microenvironment of 1{sub m} was found to depend strongly on the selected monovalent electrolyte cation, i.e., the encapsulated 1{sub m} is accommodated in the more hydrophobic microenvironment the higher the cationic solvation number is. - Highlights: Black-Right-Pointing-Pointer Different micellar particles is used to disperse [60]fullerene and [70]fullerene. Black-Right-Pointing-Pointer Fullerene monomers or aggregates are dispersed encaging or bounding by micelles. Black-Right-Pointing-Pointer Effective facts are hydration degree and polyoxyethylene thickness of micelle.

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.)

Oscillations of spherical fullerenes interacting with graphene sheet

Energy Technology Data Exchange (ETDEWEB)

Ghavanloo, Esmaeal, E-mail: ghavanloo@shirazu.ac.ir; Fazelzadeh, S. Ahmad

2017-01-01

In the present study, the oscillations of spherical fullerenes in the vicinity of a fully constrained graphene sheet are investigated. Using the continuous approximation and Lennard-Jones potential, the van der Waals (vdW) potential energy and interaction forces are obtained. The equation of motion is derived and directly solved based on the actual force distribution between the fullerene molecules and the graphene sheet. Numerical results are obtained and shown that the oscillation is sensitive to the size of the fullerene as well as the distance between the center of the fullerene and the graphene sheet.

Fullerenes as a new type of ligands for transition metals

International Nuclear Information System (INIS)

Sokolov, V.I.

2007-01-01

Fullerenes are considered as ligands in transition metal π-complexes. The following aspects are discussed: metals able to form π-complexes with fullerenes (Zr, V, Ta, Mo, W, Re, Ru, etc.); haptic numbers; homo- and hetero ligand complexes; ligand compatibility with fullerenes for different metals, including fullerenes with a disturbed structure of conjugation [ru

Fullerenes and fulleranes in circumstellar envelopes

International Nuclear Information System (INIS)

Zhang, Yong; Kwok, Sun; Sadjadi, SeyedAbdolreza

2016-01-01

Three decades of search have recently led to convincing discoveries of cosmic fullerenes. The presence of C_6_0 and C"+ _6_0 in both circumstellar and interstellar environments suggests that these molecules and their derivatives can be efficiently formed in circumstellar envelopes and survive in harsh conditions. Detailed analysis of the infrared bands from fullerenes and their connections with the local properties can provide valuable information on the physical conditions and chemical processes that occurred in the late stages of stellar evolution. The identification of C"+ _6_0 as the carrier of four diffuse interstellar bands (DIBs) suggests that fullerene- related compounds are abundant in interstellar space and are essential for resolving the DIB mystery. Experiments have revealed a high hydrogenation rate when C_6_0 is exposed to atomic hydrogen, motivating the attempt to search for cosmic fulleranes. In this paper, we present a short review of current knowledge of cosmic fullerenes and fulleranes and briefly discuss the implications on circumstellar chemistry. (paper)

sp2 carbon allotropes in elastomer matrix: From master curves for the mechanical reinforcement to lightweight materials

Directory of Open Access Journals (Sweden)

M. Galimberti

2018-03-01

Full Text Available This work presents high surface area sp2 carbon allotropes as important tools to design and prepare lightweight materials. Composites were prepared based on either carbon black (CB or carbon nanotubes (CNT or hybrid CB/CNT filler systems, with either poly(1,4-cis-isoprene or poly(styrene-co-butadiene as the polymer matrix. A correlation was established between the specific interfacial area (i.a., i.e. the surface made available by the filler per unit volume of composite, and the initial modulus of the composite (G′γmin, determined through dynamic mechanical shear tests. Experimental points could be fitted with a common line, a sort of master curve, up to about 30.2 and 9.8 mass% as CB and CNT content, respectively. The equation of such master curve allowed to correlate modulus and density of the composite. Thanks to the master curve, composites with the same modulus and lower density could be designed by substituting part of CB with lower amount of the carbon allotrope with larger surface area, CNT. This work establishes a quantitative correlation as a tool to design lightweight materials and paves the way for large scale application in polymer matrices of innovative sp2 carbon allotropes.

Fullerenes and endohedrals as “big atoms”

Energy Technology Data Exchange (ETDEWEB)

Amusia, M.Ya., E-mail: amusia@vms.huji.ac.il

2013-03-12

Highlights: ► Response of multi-electron atoms to radiation is determined by correlation effects. ► The response of fullerenes and endohedrals is characterized by strong resonances. ► Most important are confinement and Giant endohedral resonances. ► Fullerene is described as a zero-thickness polarizable shell. ► Electron exchange can play a very important role in inner shell ionization. - Abstract: We present the main features of the electronic structure of the heavy atoms that is best of all seen in photoionization. We acknowledge how important was and still is investigation of the interaction between atoms and low- and high frequency lasers with big intensity. We discuss the fullerenes and endohedrals as big atoms concentrating upon their most prominent features revealed in photoionization. Namely, we discuss reflection of photoelectron wave by the static potential that mimics the fullerenes electron shell and modification of the incoming photon beam under the action of the polarizable fullerenes shell. Both effects are clearly reflected in the photoionization cross-section. We discuss the possible features of interaction between laser field of both low and high frequency and high intensity upon fullerenes and endohedrals. We envisage prominent effects of multi-electron ionization and photon emission, including high-energy photons. We emphasize the important role that can be played by electron exchange in these processes.

Fullerenes and endohedrals as “big atoms”

International Nuclear Information System (INIS)

Amusia, M.Ya.

2013-01-01

Highlights: ► Response of multi-electron atoms to radiation is determined by correlation effects. ► The response of fullerenes and endohedrals is characterized by strong resonances. ► Most important are confinement and Giant endohedral resonances. ► Fullerene is described as a zero-thickness polarizable shell. ► Electron exchange can play a very important role in inner shell ionization. - Abstract: We present the main features of the electronic structure of the heavy atoms that is best of all seen in photoionization. We acknowledge how important was and still is investigation of the interaction between atoms and low- and high frequency lasers with big intensity. We discuss the fullerenes and endohedrals as big atoms concentrating upon their most prominent features revealed in photoionization. Namely, we discuss reflection of photoelectron wave by the static potential that mimics the fullerenes electron shell and modification of the incoming photon beam under the action of the polarizable fullerenes shell. Both effects are clearly reflected in the photoionization cross-section. We discuss the possible features of interaction between laser field of both low and high frequency and high intensity upon fullerenes and endohedrals. We envisage prominent effects of multi-electron ionization and photon emission, including high-energy photons. We emphasize the important role that can be played by electron exchange in these processes

Imaging of fullerene-like structures in CNx thin films by electron microscopy; sample preparation artefacts due to ion-beam milling

International Nuclear Information System (INIS)

Czigany, Zs.; Neidhardt, J.; Brunell, I.F.; Hultman, L.

2003-01-01

The microstructure of CN x thin films, deposited by reactive magnetron sputtering, was investigated by transmission electron microscopy (TEM) at 200 kV in plan-view and cross-sectional samples. Imaging artefacts arise in high-resolution TEM due to overlap of nm-sized fullerene-like features for specimen thickness above 5 nm. The thinnest and apparently artefact-free areas were obtained at the fracture edges of plan-view specimens floated-off from NaCl substrates. Cross-sectional samples were prepared by ion-beam milling at low energy to minimize sample preparation artefacts. The depth of the ion-bombardment-induced surface amorphization was determined by TEM cross sections of ion-milled fullerene-like CN x surfaces. The thickness of the damaged surface layer at 5 deg. grazing incidence was 13 and 10 nm at 3 and 0.8 keV, respectively, which is approximately three times larger than that observed on Si prepared under the same conditions. The shallowest damage depth, observed for 0.25 keV, was less than 1 nm. Chemical changes due to N loss and graphitization were also observed by X-ray photoelectron spectroscopy. As a consequence of chemical effects, sputtering rates of CN x films were similar to that of Si, which enables relatively fast ion-milling procedure compared to carbon compounds. No electron beam damage of fullerene-like CN x was observed at 200 kV

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.[...

Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures

Energy Technology Data Exchange (ETDEWEB)

Tandy, P.; Yu, Ming; Leahy, C.; Jayanthi, C. S.; Wu, S. Y. [Department of Physics and Astronomy, University of Louisville, Louisville, Kentucky 40292 (United States)

2015-03-28

An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemical bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ∼230 compact boron clusters B{sub N} with N in the range from ∼100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B{sub 12} units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian.

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

A new superhard carbon allotrope: Orthorhombic C20

Science.gov (United States)

Wei, Qun; Zhao, Chenyang; Zhang, Meiguang; Yan, Haiyan; Zhou, Yingjiao; Yao, Ronghui

2018-06-01

A new superhard carbon orthorhombic allotrope oC20 is proposed, which exhibits distinct topologies including C4, C3 and two types of C6 carbon rings. The calculated elastic constants and phonon spectra reveal that oC20 is mechanically and dynamically stable at ambient pressure. The calculated electronic band structure of oC20 shows that it is an indirect band gap semiconductor with a band gap of 4.46 eV. The Vickers hardness of oC20 is 75 GPa. The calculated tensile and shear strength indicate that the weakest tensile strength is 64 GPa and the weakest shear strength is 48 GPa, which means oC20 is a potential superhard material.

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.

Homo Citans and Carbon Allotropes: For an Ethics of Citation.

Science.gov (United States)

Hoffmann, Roald; Kabanov, Artyom A; Golov, Andrey A; Proserpio, Davide M

2016-09-05

Cite we must, cite we do. We cite because we are links in a chain, using properties and methods validated by others. We also cite to negotiate the anxiety of influence. And to be fair. After outlining the reasons for citation, we use two case studies of citation amnesia in the field of hypothetical carbon allotropes to present a computer-age search tool (SACADA) in that subsubfield. Finally, we advise on good search practice, including what to do if you miss a citation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Making and exploiting fullerenes, graphene, and carbon nanotubes

International Nuclear Information System (INIS)

Marcaccio, Massimo; Paolucci, Francesco

2014-01-01

This volume contains nine chapters which are presenting critical reviews of the present and future trends in modern chemistry research. The chapter ''Solubilization of Fullerenes, Carbon Nanotubes and Graphene'' by Alain Penicaud describes the various ingenious approaches to solve the solubility issue and describes in particular how graphite, and modern nanocarbons, can be made soluble by reductive dissolution. A large part of the present volume concerns the merging of nanocarbons with nanotechnology and their impact on technical development in many areas. Fullerenes, carbon nanotubes, nanodiamond and graphene find, for instance, various applications in the development of solar cells, including dye sensitized solar cells. The chapter ''Incorporation of Balls, Tubes and Bowls in Nanotechnology'' by James Mack describes the recent development of the area of fullerene fragments, and corannulene in particular, and their direct applications to organic light emitting diode (OLED) technology, while, in the chapter ''Exploiting Nanocarbons in Dye-Sensitized Solar Cells'' by Ladislav Kavan, the exploitation of nanocarbons in the development of novel dye sensitized solar cells with improved efficiency, durability and costs is thoroughly reviewed. The functionalization of CNSs has the invaluable advantage of combining their unique properties with those of other classes of materials. Supramolecular chemistry represents an elegant alternative approach for the construction of functional systems by means of noncovalent bonding interactions. In the chapter ''Supramolecular Chemistry of Carbon Nanotubes'' by Gildas Gavrel et al., the incredibly varied world of supramolecular, non-covalent functionalization of carbon nanotubes and their applications is examined and reviewed, and the synthetic strategies devised for fabricating mechanically-linked molecular architectures are described in the chapter ''Fullerene-Stoppered Bistable Rotaxanes'' by Aurelio Mateo-Alonso, which presents an

Making and exploiting fullerenes, graphene, and carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Marcaccio, Massimo; Paolucci, Francesco (eds.) [Bologna Univ. (Italy). Dept. of Chemistry G. Ciamician

2014-11-01

This volume contains nine chapters which are presenting critical reviews of the present and future trends in modern chemistry research. The chapter ''Solubilization of Fullerenes, Carbon Nanotubes and Graphene'' by Alain Penicaud describes the various ingenious approaches to solve the solubility issue and describes in particular how graphite, and modern nanocarbons, can be made soluble by reductive dissolution. A large part of the present volume concerns the merging of nanocarbons with nanotechnology and their impact on technical development in many areas. Fullerenes, carbon nanotubes, nanodiamond and graphene find, for instance, various applications in the development of solar cells, including dye sensitized solar cells. The chapter ''Incorporation of Balls, Tubes and Bowls in Nanotechnology'' by James Mack describes the recent development of the area of fullerene fragments, and corannulene in particular, and their direct applications to organic light emitting diode (OLED) technology, while, in the chapter ''Exploiting Nanocarbons in Dye-Sensitized Solar Cells'' by Ladislav Kavan, the exploitation of nanocarbons in the development of novel dye sensitized solar cells with improved efficiency, durability and costs is thoroughly reviewed. The functionalization of CNSs has the invaluable advantage of combining their unique properties with those of other classes of materials. Supramolecular chemistry represents an elegant alternative approach for the construction of functional systems by means of noncovalent bonding interactions. In the chapter ''Supramolecular Chemistry of Carbon Nanotubes'' by Gildas Gavrel et al., the incredibly varied world of supramolecular, non-covalent functionalization of carbon nanotubes and their applications is examined and reviewed, and the synthetic strategies devised for fabricating mechanically-linked molecular architectures are described in the chapter ''Fullerene

Nanolubes of carbon: materials for the 3th millennium

International Nuclear Information System (INIS)

Martin Leon, N.

1999-01-01

Fullerenes and nanotubes represent a new allotropic form of the carbon element which have attracted the interest of scientists of different disciplines along the last recent years. A general overview on nanotubes is presented with special stress on the structure, properties and future applications of these fascinating new materials. (Author) 18 refs

Is the Use of Fullerene in Photodynamic Therapy Effective for Atherosclerosis?

International Nuclear Information System (INIS)

Nitta, Norihisa; Seko, Ayumi; Sonoda, Akinaga; Ohta, Shinichi; Tanaka, Toyohiko; Takahashi, Masashi; Murata, Kiyoshi; Takemura, Shizuki; Sakamoto, Tsutomu; Tabata, Yasuhiko

2008-01-01

The purpose of this study was to evaluate Fullerene as a therapeutic photosensitizer in the treatment of atherosclerosis. An atherosclerotic experimental rabbit model was prepared by causing intimal injury to bilateral external iliac arteries using balloon expansion. In four atherosclerotic rabbits and one normal rabbit, polyethylene glycol-modified Fullerene (Fullerene-PEG) was infused into the left external iliac artery and illuminated by light emitting diode (LED), while the right external iliac artery was only illuminated by LED. Two weeks later, the histological findings for each iliac artery were evaluated quantitatively and comparisons were made among atherosclerotic Fullerene+LED artery (n = 4), atherosclerotic light artery (n = 4), normal Fullerene+LED artery (n = 1), and normal light artery (n = 1). An additional two atherosclerotic rabbits were studied by fluorescence microscopy, after Fullerene-PEG-Cy5 complex infusion into the left external iliac artery, for evaluation of Fullerene-PEG incorporated within the atherosclerotic lesions. The degree of atherosclerosis in the atherosclerotic Fullerene+LED artery was significantly (p < 0.05) more severe than that in the atherosclerotic LED artery. No pathological change was observed in normal Fullerene+LED and LED arteries. In addition, strong accumulation of Fullerene-PEG-Cy5 complex within the plaque of the left iliac artery of the two rabbits was demonstrated, in contrast to no accumulation in the right iliac artery. We conclude that infusion of a high concentration of Fullerene-PEG followed by photo-illumination resulted not in a suppression of atherosclerosis but in a progression of atherosclerosis in experimental rabbit models. However, this intervention showed no adverse effects on the normal iliac artery

Redox potentials and binding enhancement of fullerene and fullerene-cyclodextrin systems in water and dimethylsulfoxide

Czech Academy of Sciences Publication Activity Database

Pospíšil, Lubomír; Hromadová, Magdaléna; Gál, Miroslav; Kocábová, Jana; Sokolová, Romana; Filippone, S.; Yang, J.; Guan, Z.; Rassat, A.; Zhang, Y.

2010-01-01

Roč. 48, č. 1 (2010), s. 153-162 ISSN 0008-6223 R&D Projects: GA ČR GA203/09/0705; GA ČR GA203/08/1157; GA ČR GP203/09/P502; GA MŠk LC510; GA MŠk ME09114; GA MŠk OC 140 Institutional research plan: CEZ:AV0Z40400503 Keywords : electrochemistry * fullerene s * fullerene -cyclodextrin systems Subject RIV: CG - Electrochemistry Impact factor: 4.893, year: 2010

Síntese de nanotubos de carbono de parede simples por sublimação de grafite em atmosfera de hélio Synthesis of single-wall nanotubes by pyrolysis of graphite in helium atmosphere

Directory of Open Access Journals (Sweden)

José Gino Venegas Romero

2002-02-01

Full Text Available Macroscopic samples of fullerene nanostructures are obtained in a modified arc furnace using the electric arc method with a Helium atmosphere at low pressures. High purity graphite rods are used as electrodes but, when drilled and the orifices filled with powders of transition metals (Fe, Co, Ni acting as catalysts, the resulting particles are carbon nanostructures of the fullerene family, known as Single Wall Nanotubes (SWNTs. They have typical diameters of 1.4 nm, lengths up to tenths of microns and they are arranged together in bundles containing several SWNTs. Those samples are observed and analyzed using Scanning Electron Microscopy (SEM and Transmission Electron Microscopy (TEM techniques.

A graphite foam reinforced by graphite particles

Energy Technology Data Exchange (ETDEWEB)

Zhu, J.J.; Wang, X.Y.; Guo, L.F.; Wang, Y.M.; Wang, Y.P.; Yu, M.F.; Lau, K.T.T. [DongHua University, Shanghai (China). College of Material Science and Engineering

2007-11-15

Graphite foam was obtained after carbonization and graphitization of a pitch foam formed by the pyrolysis of coal tar based mesophase pitch mixed with graphite particles in a high pressure and temperature chamber. The graphite foam possessed high mechanical strength and exceptional thermal conductivity after adding the graphite particles. Experimental results showed that the thermal conductivity of modified graphite foam reached 110W/m K, and its compressive strength increased from 3.7 MPa to 12.5 MPa with the addition of 5 wt% graphite particles. Through the microscopic observation, it was also found that fewer micro-cracks were formed in the cell wall of the modified foam as compared with pure graphite foam. The graphitization degree of modified foam reached 84.9% and the ligament of graphite foam exhibited high alignment after carbonization at 1200{sup o}C for 3 h and graphitization at 3000{sup o}C for 10 min.

Graphite

Science.gov (United States)

Robinson, Gilpin R.; Hammarstrom, Jane M.; Olson, Donald W.; Schulz, Klaus J.; DeYoung,, John H.; Seal, Robert R.; Bradley, Dwight C.

2017-12-19

Graphite is a form of pure carbon that normally occurs as black crystal flakes and masses. It has important properties, such as chemical inertness, thermal stability, high electrical conductivity, and lubricity (slipperiness) that make it suitable for many industrial applications, including electronics, lubricants, metallurgy, and steelmaking. For some of these uses, no suitable substitutes are available. Steelmaking and refractory applications in metallurgy use the largest amount of produced graphite; however, emerging technology uses in large-scale fuel cell, battery, and lightweight high-strength composite applications could substantially increase world demand for graphite.Graphite ores are classified as “amorphous” (microcrystalline), and “crystalline” (“flake” or “lump or chip”) based on the ore’s crystallinity, grain-size, and morphology. All graphite deposits mined today formed from metamorphism of carbonaceous sedimentary rocks, and the ore type is determined by the geologic setting. Thermally metamorphosed coal is the usual source of amorphous graphite. Disseminated crystalline flake graphite is mined from carbonaceous metamorphic rocks, and lump or chip graphite is mined from veins in high-grade metamorphic regions. Because graphite is chemically inert and nontoxic, the main environmental concerns associated with graphite mining are inhalation of fine-grained dusts, including silicate and sulfide mineral particles, and hydrocarbon vapors produced during the mining and processing of ore. Synthetic graphite is manufactured from hydrocarbon sources using high-temperature heat treatment, and it is more expensive to produce than natural graphite.Production of natural graphite is dominated by China, India, and Brazil, which export graphite worldwide. China provides approximately 67 percent of worldwide output of natural graphite, and, as the dominant exporter, has the ability to set world prices. China has significant graphite reserves, and

Crystalline and quasicrystalline allotropes of Pb formed on the fivefold surface of icosahedral Ag-In-Yb

Energy Technology Data Exchange (ETDEWEB)

Sharma, H. R., E-mail: H.R.Sharma@liv.ac.uk; Smerdon, J. A.; Nugent, P. J.; Ribeiro, A.; McGrath, R. [Surface Science Research Centre and Department of Physics, The University of Liverpool, Liverpool L69 3BX (United Kingdom); McLeod, I.; Dhanak, V. R. [Department of Physics and the Stephenson Institute for Renewable Energy, The University of Liverpool, Liverpool L69 3BX (United Kingdom); Shimoda, M. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Tsai, A. P. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

2014-05-07

Crystalline and quasicrystalline allotropes of Pb are formed by evaporation on the fivefold surface of the icosahedral (i) Ag-In-Yb quasicrystal under ultra-high vacuum. Lead grows in three dimensional quasicrystalline order and subsequently forms fivefold-twinned islands with the fcc(111) surface orientation atop of the quasicrystalline Pb. The islands exhibit specific heights (magic heights), possibly due to the confinement of electrons in the islands. We also study the adsorption behavior of C{sub 60} on the two allotropes of Pb. Scanning tunneling microcopy reveals that a high corrugation of the quasicrystalline Pb limits the diffusion of the C{sub 60} molecules and thus produces a disordered film, similar to adsorption behavior of the same molecules on the clean substrate surface. However, the sticking coefficient of C{sub 60} molecules atop the Pb islands approaches zero, regardless of the overall C{sub 60} coverage.

New carbon materials. Recent advances in the synthesis of fullerenes and carbon nanotubes; Shin tanso zairyo. Furaren, kabon nanochubu no gosei no saikin no shinpo

Energy Technology Data Exchange (ETDEWEB)

Yumura, M [National Inst. of Materials and Chemical Research, Tsukuba (Japan)

1996-01-01

Arc synthesis method, which is now the center for the synthesis of new carbon compounds such as carbon nanocapsules and carbon nanotubes, is introduced together with its current status. Many new carbon compounds are synthesized by DC arc discharge heating method (arc discharge method) in which a graphite bar is used as the electrode. C70 and higher order fullerenes having larger carbon numbers are found one after another in the soot produced by the arc discharge method, and the structures of C76, C78, C84, C90, C94, and others have been clarified. It is considered in the arc discharge method that the processes of a large amount of carbon evaporation by high temperature and the succeeding quenching cause to produce various kinds of new carbon compounds. In connection with other synthesis methods, synthesis of fullerenes by incomplete combustion, synthesis of nanotubes by the vapor phase thermal decomposition method, and the synthesis of nanotubes using casting molds are discussed. 24 refs., 6 figs.

The study of dielectric properties of the endohedral fullerenes

Science.gov (United States)

Bhusal, Shusil

Dielectric response of the metal nitride fullerenes is studied using the density functional theory at the all-electron level using generalized gradient approximation. The dielectric response is studied by computing the static dipole polarizabilities using the finite field method, i.e. by numerically differentiating the dipole moments with respect to electric field. The endohedral fullerenes studied in this work are Sc3N C68(6140), Sc3N C68(6146), Sc3N C70(7854), Sc3N C70(7960), Sc3N C76(17490), Sc3N C78(22010), Sc3N C80(31923), Sc3N C80(31924), Sc3N C82(39663), Sc3N C90(43), Sc3N C90(44), Sc3N C92(85), Sc3N C94(121), Sc3N C96(186), Sc3N C98(166). Using the Voronoi and Hirschfield approaches as implemented in our NRLMOL code, we determine the atomic contributions to the total polarizability. The site-specific contributions to the polarizability of endohedral fullerenes allowed us to determine the polarizability of two subsystems: the fullerene shell and the encapsulated Sc3N unit. Our results showed that the contributions to the total polarizability from the encapsulated Sc3N units are vanishingly small. Thus, the total polarizability of the endohedral fullerene is almost entirely due to the outer fullerene shell. These fullerenes are excellent molecular models of a Faraday cage.

Preparation and characterization of stable aqueous higher-order fullerenes

International Nuclear Information System (INIS)

Aich, Nirupam; Flora, Joseph R V; Saleh, Navid B

2012-01-01

Stable aqueous suspensions of nC 60 and individual higher fullerenes, i.e. C 70 , C 76 and C 84 , are prepared by a calorimetric modification of a commonly used liquid–liquid extraction technique. The energy requirement for synthesis of higher fullerenes has been guided by molecular-scale interaction energy calculations. Solubilized fullerenes show crystalline behavior by exhibiting lattice fringes in high resolution transmission electron microscopy images. The fullerene colloidal suspensions thus prepared are stable with a narrow distribution of cluster radii (42.7 ± 0.8 nm, 46.0 ± 14.0 nm, 60 ± 3.2 nm and 56.3 ± 1.1 nm for nC 60 , nC 70 , nC 76 and nC 84 , respectively) as measured by time-resolved dynamic light scattering. The ζ-potential values for all fullerene samples showed negative surface potentials with similar magnitude ( − 38.6 ± 5.8 mV, − 39.1 ± 4.2 mV, − 38.9 ± 5.8 mV and − 41.7 ± 5.1 mV for nC 60 , nC 70 , nC 76 and nC 84 , respectively), which provide electrostatic stability to the colloidal clusters. This energy-based modified solubilization technique to produce stable aqueous fullerenes will likely aid in future studies focusing on better applicability, determination of colloidal properties, and understanding of environmental fate, transport and toxicity of higher-order fullerenes. (paper)

Nanoencapsulation of Fullerenes in Organic Structures with Nonpolar Cavities

International Nuclear Information System (INIS)

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 C 60 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 C 60 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 C 60 fullerene. This was confirmed from fluorescence energy transfer studies. UV-Vis studies further supported this observation that it is possible to selectively remove the C 60 fullerene from the nonpolar cavity. This behavior has potential in biomedical applications

Detection of fullerenes (C60 and C70) in commercial cosmetics

International Nuclear Information System (INIS)

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 C 60 and C 70 from interfering cosmetic substances (e.g., castor oil). A cosmetic formulation was characterized with transmission electron microscopy, which confirmed that polyvinylpyrrolidone encapsulated C 60 . Liquid-liquid extraction of fullerenes from control samples approached 100% while solid-phase and sonication in toluene extractions yielded recoveries of 27-42%. C 60 was detected in four commercial cosmetics ranging from 0.04 to 1.1 μg/g, and C 70 was qualitatively detected in two samples. A single-use quantity of cosmetic (0.5 g) may contain up to 0.6 μg of C 60 , 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.

Continuum simulations of water flow past fullerene molecules

DEFF Research Database (Denmark)

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

2015-01-01

We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... 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...

Oscillation of nested fullerenes (carbon onions) in carbon nanotubes

International Nuclear Information System (INIS)

Thamwattana, Ngamta; Hill, James M.

2008-01-01

Nested spherical fullerenes, which are sometimes referred to as carbon onions, of I h symmetries which have N(n) carbon atoms in the nth shell given by N(n) = 60n 2 are studied in this paper. The continuum approximation together with the Lennard-Jones potential is utilized to determine the resultant potential energy. High frequency nanoscale oscillators or gigahertz oscillators created from fullerenes and both single- and multi-walled carbon nanotubes have attracted much attention for a number of proposed applications, such as ultra-fast optical filters and ultra-sensitive nano-antennae that might impact on the development of computing and signalling nano-devices. Further, it is only at the nanoscale where such gigahertz frequencies can be achieved. This paper focuses on the interaction of nested fullerenes and the mechanics of such molecules oscillating in carbon nanotubes. Here we investigate such issues as the acceptance condition for nested fullerenes into carbon nanotubes, the total force and energy of the nested fullerenes, and the velocity and gigahertz frequency of the oscillating molecule. In particular, optimum nanotube radii are determined for which nested fullerenes oscillate at maximum velocity and frequency, which will be of considerable benefit for the design of future nano-oscillating devices

Broadband electroluminescence in fullerene crystals

International Nuclear Information System (INIS)

Werner, A.T.; Anders, J.; Byrne, H.J.; Maser, W.K.; Kaiser, M.; Mittelbach, A.; Roth, S.

1993-01-01

The observation of electroluminescence from crystalline fullerenes is described. A broad band emission spectrum, extending from 400nm to 1100nm is observed. The spectrum has a primary maximum at 920nm and a weaker feature centered on 420nm. The spectral characteristics are independent of the applied field and the longer wavelength region is identical to that measured in the high excitation density photoluminescence spectrum. In addition, the electroluminescence intensity increases with the cube of the injection current, strengthening the association to the nonlinear phenomena observed in the highly excited state of fullerenes. (orig.)

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

2016-06-08

[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. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Changing Ideas about the Periodic Table of Elements and Students' Alternative Concepts of Isotopes and Allotropes.

Science.gov (United States)

Schmidt, Hans-Jurgen; Baumgartner, Tim; Eybe, Holger

2003-01-01

Investigates secondary school students' concepts of isotopes and allotropes and how the concepts are linked to the Periodic Table of Elements (PTE). Questions senior high school students with multiple choice items and interviews. Shows that students actively tried to make sense of what they had experienced. (KHR)

Ability of Fullerene to Accumulate Hydrogen

Directory of Open Access Journals (Sweden)

Bubenchikov Mikhail A

2016-01-01

Full Text Available In the present paper, using a modification of the LJ-potential and the continuum approach, we define С60-H2 (He potentials, as well as interaction energy of two fullerene particles. The proposed approach allows to calculate interactions between carbon structures of any character (wavy graphenes, nanotubes, etc.. The obtained results allowed to localize global sorption zones both inside the particle and on the outer surface of the fullerene.

Suppression on allotropic transformation of Sn planar anode with enhanced electrochemical performance

Science.gov (United States)

Wang, Peng; Hu, Junhua; Cao, Guoqin; Zhang, Shilin; Zhang, Peng; Liang, Changhao; Wang, Zhuo; Shao, Guosheng

2018-03-01

Different configurations of Sn and C films were deposited and used as a planar anode for Li ion battery. The interplay of carbon layer with Sn as supporting and buffering, respectively, was revealed. The suppression on the allotropic transformation to α phase by a carbon layer results in a significantly improved capacity retention rate, which also avoids the crack of Sn film. As expected, a conductive carbon layer improves rating performance. However, a supporting carbon layer (SC) just contributes to the charge transfer process. A DFT approach was used to assess the allotropic transformation process. An additional barrier (∼0.86 eV) exits on the α-β diagram, which is responsible for the irreversibility of α phase back to β phase. An enhanced persistence of β phase in Sn/C anode contributes to cycling performance. A Li rich condition contributes to the stabilization of β-Sn, which is thermodynamically favored. A nano buffering carbon (BC) layer can evidently alleviate the side reaction on Sn surface, which in turn promotes the diffusion of Li ions in electrode and generates a Li rich condition. The direct contact of Sn with electrolyte leads to serious accumulation of α-Sn during cycling and results in a poor cycling performance. By the synergistic effect of BC and SC, a sandwich C/Sn/C structure demonstrates an enchantment in electrochemical behavior.

Fundamental studies of graphene/graphite and graphene-based Schottky photovoltaic devices

Science.gov (United States)

Miao, Xiaochang

In the carbon allotropes family, graphene is one of the most versatile members and has been extensively studied since 2004. The goal of this dissertation is not only to investigate the novel fundamental science of graphene and its three-dimensional sibling, graphite, but also to explore graphene's promising potential in modern electronic and optoelectronic devices. The first two chapters provide a concise introduction to the fundamental solid state physics of graphene (as well as graphite) and the physics at the metal/semiconductor interfaces. In the third chapter, we demonstrate the formation of Schottky junctions at the interfaces of graphene (semimetal) and various inorganic semiconductors that play dominating roles in today's semiconductor technology, such as Si, SiC, GaAs and GaN. As shown from their current-voltage (I -V) and capacitance-voltage (C-V) characteristics, the interface physics can be well described within the framework of the Schottky-Mott model. The results are also well consist with that from our previous studies on graphite based Schottky diodes. In the fourth chapter, as an extension of graphene based Schottky work, we investigate the photovoltaic (PV) effect of graphene/Si junctions after chemically doped with an organic polymer (TFSA). The power conversion efficiency of the solar cell improves from 1.9% to 8.6% after TFSA doping, which is the record in all graphene based PVs. The I -V, C-V and external quantum efficiency measurements suggest 12 that such a significant enhancement in the device performance can be attributed to a doping-induced decrease in the series resistance and a simultaneous increase in the built-in potential. In the fifth chapter, we investigate for the first time the effect of uniaxial strains on magneto-transport properties of graphene. We find that low-temperature weak localization effect in monolayer graphene is gradually suppressed under increasing strains, which is due to a strain-induced decreased intervalley

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.

Conjugation-promoted reaction of open-cage fullerene: A density functional theory study

KAUST Repository

Guo, Yong

2012-01-20

Density functional theory calculations are performed to study the addition mechanism of e-rich moieties such as triethyl phosphite to a carbonyl group on the rim of a fullerene orifice. Three possible reaction channels have been investigated. The obtained results show that the reaction of a carbonyl group on a fullerene orifice with triethyl phosphite most likely proceeds along the classical Abramov reaction; however, the classical product is not stable and is converted into the experimental product. An attack on a fullerene carbonyl carbon will trigger a rearrangement of the phosphate group to the carbonyl oxygen as the conversion transition state is stabilized by fullerene conjugation. This work provides a new insight on the reactivity of open-cage fullerenes, which may prove helpful in designing new switchable fullerene systems. Not that classical: The reaction of a carbonyl group on the fullerene orifice with triethyl phosphite most likely proceeds following the Abramov reaction to firstly form a classical product. However, this product is not stable and turns into an experimental product as the conversion transition state is stabilized by fullerene conjugation (see picture). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stable Au–C bonds to the substrate for fullerene-based nanostructures

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Taras Chutora

2017-05-01

Full Text Available We report on the formation of fullerene-derived nanostructures on Au(111 at room temperature and under UHV conditions. After low-energy ion sputtering of fullerene films deposited on Au(111, bright spots appear at the herringbone corner sites when measured using a scanning tunneling microscope. These features are stable at room temperature against diffusion on the surface. We carry out DFT calculations of fullerene molecules having one missing carbon atom to simulate the vacancies in the molecules resulting from the sputtering process. These modified fullerenes have an adsorption energy on the Au(111 surface that is 1.6 eV higher than that of C60 molecules. This increased binding energy arises from the saturation by the Au surface of the bonds around the molecular vacancy defect. We therefore interpret the observed features as adsorbed fullerene-derived molecules with C vacancies. This provides a pathway for the formation of fullerene-based nanostructures on Au at room temperature.

Fullerene-rare gas mixed plasmas in an electron cyclotron resonance ion source

Energy Technology Data Exchange (ETDEWEB)

Asaji, T., E-mail: asaji@oshima-k.ac.jp; Ohba, T. [Oshima National College of Maritime Technology, 1091-1 Komatsu, Suo-oshima, Oshima, Yamaguchi 742-2193 (Japan); Uchida, T.; Yoshida, Y. [Bio-Nano Electronics Research Centre, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan); Minezaki, H.; Ishihara, S. [Graduate School of Engineering, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan); Racz, R.; Biri, S. [Institute of Nuclear Research (ATOMKI), H-4026 Debrecen, Bem Tér 18/c (Hungary); Muramatsu, M.; Kitagawa, A. [National Institute of Radiological Sciences (NIRS), 4-9-1 Anagawa, Inage-ku, Chiba 263-8555 (Japan); Kato, Y. [Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan)

2014-02-15

A synthesis technology of endohedral fullerenes such as Fe@C{sub 60} has developed with an electron cyclotron resonance (ECR) ion source. The production of N@C{sub 60} 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.

Search for fullerenes in stone meteorites

Science.gov (United States)

Oester, M. Y.; Kuechl, D.; Sipiera, P. P.; Welch, C. J.

1994-07-01

The possibility of identifying fullerenes in stony meteorites became apparent from a paper given by Radicati de Brozolo. In this paper it was reported that fullerenes were present in the debris resulting from a collision between a micrometeoroid and an orbiting satellite. This fact generated sufficient curiosity to initiate a search for the presence of fullerenes in various stone meteorites. In the present study seven ordinary chondrites (al-Ghanim L6 (find), Dimmitt H4 (find), Lazbuddie LL5 (find), New Concord H5 (fall), Silverton H4 (find), Springlake L6 (find), and Umbarger L3/6 (find)). Four carbonaceous chondrites (ALH 83100 C2 (find), ALH 83108 C30 (find), Allende CV3 (fall), and Murchison CM2 (fall), and one achondrite (Monticello How (find)) were analyzed for the presence of fullerenes. The analytical procedure employed was as follows: 100 mg of meteorite was ground up with a mortar and pestle; 10 mL of toluene was then added and the mixture was refluxed for 90 min; this mixture was then filtered through a short column of silica; a 50 microliter sample was then analyzed by high pressure liquid chromatography (HPLC) using a Buckyclutcher I column with a mobile phase consisting of equal volumes of toluene and hexane at a flow rate of 1.00 mg per minute, with detection at 330 and 600 nm. Three of the meteorites, Allende, Murchison, and al-Ghanim, gave HPLC traces containing peaks with similar retention times to the HPLC trace of an authentic fullerene C60. However, further analysis using an HPLC instrument equipped with a diode-array detector failed to confirm any of the substances detected in the three meteorites as C60. Additional analyses will be conducted to identify what the HPLC traces actually represent.

Electronic structure of C and Si fullerenes and fullerides

International Nuclear Information System (INIS)

Saito, S.

1996-01-01

Fullerenes, i.e., cage-structure clusters are now studied intensively as a building unit for a new class of materials. The electronic structure of C 60 and Si 20 fullerenes and their fullerides obtained in the framework of the density-functional theory is discussed with emphasis on the electronic as well as the geometrical hierarchy in superconducting fullerides. In both C 60 and Si 20 fullerides, the charge transfer from alkali atoms to fullerenes and the hybridization between alkaline-earth states and fullerene states are observed. Also A 3 C 60 and (Ba 3 Si 3 Na rate at Si 20 ) 2 superconductors are found to have high Fermi-level density of states, although the mechanism giving it is different in two materials. Interesting materials to be produced in the future are also discussed. (orig.)

The Influence of Solvent Additive on Polymer Solar Cells Employing Fullerene and Non-Fullerene Acceptors

KAUST Repository

Song, Xin

2017-11-27

Small-molecule-based non-fullerene acceptors (NFAs) are emerging as a new field in organic photovoltaics, due to their structural versatility, the tunability of their energy levels, and their ease of synthesis. High-efficiency polymer donors have been tested with these non-fullerene acceptors in order to further boost the efficiency of organic solar cells. Most of the polymer:fullerene systems are optimized with solvent additives for high efficiency, while little attention has been paid to NFA-based solar cells so far. In this report, the effect of the most common additive, 1,8-diiodooctane (DIO), on PTB7-Th:PC71BM solar cells is investigated and it is compared with non-fullerene acceptor 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno-[1,2-b:5,6b′]di-thiophene (ITIC) devices. It is interesting that the high boiling solvent additive does have a negative impact on the power conversion efficiency when PTB7-Th is blended with ITIC acceptor. The solar cell devices are studied in terms of their optical, photophysical, and morphological properties and find out that PTB7-Th:ITIC devices with DIO results in coarser domains, reduced absorption strength, and slightly lower mobility, while DIO improves the absorption strength of the PTB7-Th:PC71BM blend film and increase the aggregation of PC71BM in the blend, resulting in higher fill factor and Jsc.

The Influence of Solvent Additive on Polymer Solar Cells Employing Fullerene and Non-Fullerene Acceptors

KAUST Repository

Song, Xin; Gasparini, Nicola; Baran, Derya

2017-01-01

Small-molecule-based non-fullerene acceptors (NFAs) are emerging as a new field in organic photovoltaics, due to their structural versatility, the tunability of their energy levels, and their ease of synthesis. High-efficiency polymer donors have been tested with these non-fullerene acceptors in order to further boost the efficiency of organic solar cells. Most of the polymer:fullerene systems are optimized with solvent additives for high efficiency, while little attention has been paid to NFA-based solar cells so far. In this report, the effect of the most common additive, 1,8-diiodooctane (DIO), on PTB7-Th:PC71BM solar cells is investigated and it is compared with non-fullerene acceptor 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno-[1,2-b:5,6b′]di-thiophene (ITIC) devices. It is interesting that the high boiling solvent additive does have a negative impact on the power conversion efficiency when PTB7-Th is blended with ITIC acceptor. The solar cell devices are studied in terms of their optical, photophysical, and morphological properties and find out that PTB7-Th:ITIC devices with DIO results in coarser domains, reduced absorption strength, and slightly lower mobility, while DIO improves the absorption strength of the PTB7-Th:PC71BM blend film and increase the aggregation of PC71BM in the blend, resulting in higher fill factor and Jsc.

In-Silico Study Of Water Soluble C60-Fullerene Derivatives And Different Drug Targets

Directory of Open Access Journals (Sweden)

Mohammad Teimouri

2015-08-01

Full Text Available Fullerene C60 is a unique carbon molecule that adopts a sphere shape. It has been proved that fullerene and some of its derivatives several disease targets. Fullerene itself is insoluble in water. So fullerene application is hindered in medical field. In this study a literature search was performed and all derivatives were collected. The fullerene binding protein previously reported in literature were also retrieved from protein databank. The docking study were performed with fullerene derivatives and its binding proteins. The selected proteins include Voltage-Gated Potassium Channel estrogenic 17beta-hydroxysteroid dehydrogenase and monoclonal anti-progesterone antibody. The binding affinity and binding free energy were computed for these proteins and fullerene derivatives complexes. The binding affinity and binding free energy calculation of the co-crystal ligands were also carried out. The results show the good fitting of fullerene derivatives in the active site of different proteins. The binding affinities and binding free energies of fullerene derivatives are better. The present study gives a detail information about the binding mode of C60 derivatives. The finding will be helpful in fullerene-based drug discovery and facilitate the efforts of fighting many diseases.

Molecular understanding of the open-circuit voltage of polymer: Fullerene solar cells

Energy Technology Data Exchange (ETDEWEB)

Yamamoto, Shunsuke; Orimo, Akiko; Benten, Hiroaki; Ito, Shinzaburo [Department of Polymer Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nishikyo, Kyoto (Japan); Ohkita, Hideo [Japan Science and Technology Agency (JST), PRESTO, Saitama (Japan); Department of Polymer Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nishikyo, Kyoto (Japan)

2012-02-15

The origin of open-circuit voltage (V{sub OC}) was studied for polymer solar cells based on a blend of poly(3-hexylthiophene) (P3HT) and seven fullerene derivatives with different LUMO energy levels and side chains. The temperature dependence of J-V characteristics was analyzed by an equivalent circuit model. As a result, V{sub OC} increased with the decrease in the saturation current density J{sub 0} of the device. Furthermore, J{sub 0} was dependent on the activation energy E{sub A} for J{sub 0}, which is related to the HOMO-LUMO energy gap between P3HT and fullerene. Interestingly, the pre-exponential term J{sub 00} for J{sub 0} was larger for pristine fullerenes than for substituted fullerene derivatives, suggesting that the electronic coupling between molecules also has substantial impact on V{sub OC}. This is probably because the recombination is non-diffusion-limited reaction depending on electron transfer at the P3HT/fullerene interface. In summary, the origin of V{sub OC} is ascribed not only to the relative HOMO-LUMO energy gap but also to the electronic couplings between fullerene/fullerene and polymer/fullerene. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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.

Conjugation-promoted reaction of open-cage fullerene: a density functional theory study.

Science.gov (United States)

Guo, Yong; Yan, Jingjing; Khashab, Niveen M

2012-02-01

Density functional theory calculations are performed to study the addition mechanism of e-rich moieties such as triethyl phosphite to a carbonyl group on the rim of a fullerene orifice. Three possible reaction channels have been investigated. The obtained results show that the reaction of a carbonyl group on a fullerene orifice with triethyl phosphite most likely proceeds along the classical Abramov reaction; however, the classical product is not stable and is converted into the experimental product. An attack on a fullerene carbonyl carbon will trigger a rearrangement of the phosphate group to the carbonyl oxygen as the conversion transition state is stabilized by fullerene conjugation. This work provides a new insight on the reactivity of open-cage fullerenes, which may prove helpful in designing new switchable fullerene systems. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The interactions of high-energy, highly-charged ions with fullerenes

International Nuclear Information System (INIS)

Ali, R.; Berry, H.G.; Cheng, S.

1996-01-01

In 1985, Robert Curl and Richard Smalley discovered a new form of carbon, the fullerene, C 60 , which consists of 60 carbon atoms in a closed cage resembling a soccer ball. In 1990, Kritschmer et al. were able to make macroscopic quantities of fullerenes. This has generated intense activity to study the properties of fullerenes. One area of research involves collisions between fullerenes and atoms, ions or electrons. In this paper we describe experiments involving interactions between fullerenes and highly charged ions in which the center-of-mass energies exceed those used in other work by several orders of magnitude. The high values of projectile velocity and charge state result in excitation and decay processes differing significantly from those seen in studies 3 at lower energies. Our results are discussed in terms of theoretical models analogous to those used in nuclear physics and this provides an interesting demonstration of the unity of physics

Present day state of knowledge of α/β allotropic transformation of uranium

International Nuclear Information System (INIS)

Englander, M.

1960-01-01

The technological conditions of the problem of α/β allotropic transformation of uranium are presented first. Then, the author explains the qualitative reasons why in non-allied uranium: 1) the new phase germination follows a consistent process; 2) the new phase growth, at the expense of the mother phase, proceeds either by martensitic-type shear or by thermal diffusion if the temperature and impurities amount are high enough. Reprint of a paper published in La Mettalurgia Italiana, vol. LI, no. 11, p. 497-504, 1959 [fr

Automatic production of fullerenes by a JxB arc jet discharge

International Nuclear Information System (INIS)

Mieno, Tetsu

1995-01-01

Effective production of many kinds of fullerenes including higher fullerenes and endohedral metallo-fullerenes are necessary to advance fullerene science and technology. Currently, the DC arc discharge method is the most effective method to produce fullerenes. However, carbon atoms evaporated from the anode tend to deposit on the cathode, which grow towards the anode, and obstruct the control of the arc discharge. Furthermore, deposited carbon should be removed to maintain continuous fullerene production. Here, to reduce the deposition of carbon on the cathode, a new discharge method is introduced and the experiment performed. When steady magnetic field is applied perpendicular to the DC current of the arc, ions and electrons are accelerated by JxB force as a plasma jet in the vertical direction. This plasma flow also accelerates helium convection due to the viscosity effect. Therefore, the carbon atoms and carbon neutrals are both blown up by the arc jet before arriving at the cathode. The arc flame in the experiment is actually observed to extend upwards, which dearly indicates the effect of the JxB force

Electronic structure of single- and multiple-shell carbon fullerenes

International Nuclear Information System (INIS)

Lin, Y.; Nori, F.

1994-01-01

We study the electronic states of giant single-shell and the recently discovered nested multiple-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on symmetry, to obtain the π-state energy spectra of large fullerene cages: C 240 , C 540 , C 960 , C 1500 , C 2160 , and C 2940 . Our iteration technique reduces the size of the problem by more than one order of magnitude (factors of ∼12 and 20), while the symmetry-based approach reduces it by a factor of 10. We also find formulas for the highest occupied and lowest unoccupied molecular orbital energies of C 60n 2 fullerenes as a function of n, demonstrating a tendency towards a metallic regime for increasing n. For multiple-shell fullerenes, we analytically obtain the eigenvalues of the intershell interaction

Carbon Nano-Allotrope/Magnetic Nanoparticle Hybrid Nanomaterials as T2 Contrast Agents for Magnetic Resonance Imaging Applications

Directory of Open Access Journals (Sweden)

Yunxiang Gao

2018-02-01

Full Text Available Magnetic resonance imaging (MRI is the most powerful tool for deep penetration and high-quality 3D imaging of tissues with anatomical details. However, the sensitivity of the MRI technique is not as good as that of the radioactive or optical imaging methods. Carbon-based nanomaterials have attracted significant attention in biomaterial research in recent decades due to their unique physical properties, versatile functionalization chemistry, as well as excellent biological compatibility. Researchers have employed various carbon nano-allotropes to develop hybrid MRI contrast agents for improved sensitivity. This review summarizes the new research progresses in carbon-based hybrid MRI contrast agents, especially those reported in the past five years. The review will only focus on T2-weighted MRI agents and will be categorized by the different carbon allotrope types and magnetic components. Considering the strong trend in recent bio-nanotechnology research towards multifunctional diagnosis and therapy, carbon-based MRI contrast agents integrated with other imaging modalities or therapeutic functions are also covered.

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

KAUST Repository

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

2014-01-01

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) 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

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

The role of fullerene shell upon stuffed atom polarization potential

OpenAIRE

Amusia, M. Ya.; Chernysheva, L. V.

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 pol...

Comparative computational study of interaction of C60-fullerene and tris-malonyl-C60-fullerene isomers with lipid bilayer: relation to their antioxidant effect.

Directory of Open Access Journals (Sweden)

Marine E Bozdaganyan

Full Text Available Oxidative stress induced by excessive production of reactive oxygen species (ROS has been implicated in the etiology of many human diseases. It has been reported that fullerenes and some of their derivatives-carboxyfullerenes-exhibits a strong free radical scavenging capacity. The permeation of C60-fullerene and its amphiphilic derivatives-C3-tris-malonic-C60-fullerene (C3 and D3-tris-malonyl-C60-fullerene (D3-through a lipid bilayer mimicking the eukaryotic cell membrane was studied using molecular dynamics (MD simulations. The free energy profiles along the normal to the bilayer composed of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC for C60, C3 and D3 were calculated. We found that C60 molecules alone or in clusters spontaneously translocate to the hydrophobic core of the membrane and stay inside the bilayer during the whole period of simulation time. The incorporation of cluster of fullerenes inside the bilayer changes properties of the bilayer and leads to its deformation. In simulations of the tris-malonic fullerenes we discovered that both isomers, C3 and D3, adsorb at the surface of the bilayer but only C3 tends to be buried in the area of the lipid headgroups forming hydrophobic contacts with the lipid tails. We hypothesize that such position has implications for ROS scavenging mechanism in the specific cell compartments.

Fullerene C[sub 60

Energy Technology Data Exchange (ETDEWEB)

Koruga, D; Hameroff, S; Sundareshan, M [Univ. of Arizona, Tucson, AZ (United States); Withers, J; Loutfy, R [MER Corp., Tucson, AZ (United States)

1993-01-01

This book, one of the first to be published in the exciting field of fullerenes, includes a short history of scientific discovery, as well as one possible answer to the question: for what purposes can C[sub 60] be utilized. The book opens with a review of the life of Buckminster Fuller. Modern history of fivefold symmetry and the icosahedron began between 1984 and 1985, when Shechtman and his research team opened a new branch in crystallography (fivefold symmetry) and when the Kroto/Smalley research team discovered the C[sub 60] molecule (truncated icosahedron). Production of solid C[sub 60] by the Huffman/Kraeschner research team in 1990 provided a new stimulus for research by producing C[sub 60] in macroscopic amounts for use by the scientific and technological community. This achievement led to developments such as Koruga's August 1992 creation of the dimer C[sub 116] using scanning tunneling engineering and Loutfy's hydrogenation of C[sub 60] and construction of the first Ni/C[sub 60] rechargeable batteries in December 1992. New inventions based on C[sub 60] will continue to be forthcoming, particularly in the areas of superconductivity, quantum devices, and molecular electronic devices. Discovery of the C[sub 60] molecule (Kroto/Smalley), production of solid C[sub 60] (Huffman/Kraeschmer) and technological inventions such as C[sub 116] (Koruga) have been chance discoveries. A short history of these discoveries is detailed in the book along with the results of the authors' Fullerene research efforts, including atomic resolution images of Fullerene C[sub 60], Ni/C[sub 60] batteries, nanotechnology of C[sub 60], comparison of C[sub 60] with biological systems, and others. As Fullerene C[sub 60] will require control engineering, an overview of control systems, in particular, general and optimal control of the Schroedinger equation, is contained. Some experimental and theoretical work of other researchers are also presented. 140 figs., 4 tabs., 342 refs.

Iron-fullerene mixture plasma

International Nuclear Information System (INIS)

Biri, S.; Fekete, E.

2004-01-01

Complete text of publication follows. In many laboratories new materials useful for nanotechnology and medical applications are searched and studied. In the ECR labo- ratory one of our future goals is to produce endohedral fullerene molecules (e.g Fe C 60 ) in large quantity. If this comes true, it will be possible to make building blocks for nanoparts, an ultra-contrast medium of MRI, and a magnetic nano-particle for treatment of cancer. For this experiment some modifications were carried out on the ATOMKI-ECRIS [1]. The waveguide of the 14.5 GHz microwave generator was divided in order to couple very low powers (1 watt or less) into the plasma. The C 60 component of the plasma was produced by using a simple oven. Among known methods (oven, sputtering, electron bombardment, compounds containing Fe), we have chosen the evaporation of ferrocene [Fe(C 5 H 5 ) 2 ] powder to introduce Fe atoms into the plasma. The ferrocene chamber was connected to one of the two gas feeding lines and the evaporation rate was controlled by needle valve. The extraction voltage had to be kept as low as 600V, because of the low mass-energy product of our bending magnet. First we developed independently the rough working conditions for single-charged dense iron and fullerene plasmas. Then a clean fullerene plasma was made. The temperature of the oven was about 450 deg C. The bending magnet was set to the C 60 peak (M=720) and about 50-100 nA intensity of single-charged fullerene peak was obtained. Then the magnet was set to the position of the searched Fe C 60 or FeC 60 peak (M=776) and the ferrocene valve was opened. A very difficult and long tuning followed. Finally we found a new large peak with higher mass than C 60 . In Figure 1 the centre of the new big peak on the right side is located at M=776 which corresponds to FeC 60 and/or Fe C 60 molecules. The peak is wide and shows some structure. We think it may contain impurities attached to the C 58 , C 59 , C 60 and FeC 60 molecules. We

Polymer solar cells with novel fullerene-based acceptor

International Nuclear Information System (INIS)

Riedel, I.; Martin, N.; Giacalone, F.; Segura, J.L.; Chirvase, D.; Parisi, J.; Dyakonov, V.

2004-01-01

Alternative acceptor materials are possible candidates to improve the optical absorption and/or the open circuit voltage of polymer-fullerene solar cells. We studied a novel fullerene-type acceptor, DPM-12, for application in polymer-fullerene bulk heterojunction photovoltaic devices. Though DPM-12 has the identical redox potentials as methanofullerene PCBM, surprisingly high open circuit voltages in the range V OC =0.95 V were measured for OC 1 C 10 -PPV:DPM-12-based samples. The potential for photovoltaic application was studied by means of photovoltaic characterization of solar cells including current-voltage measurements and external quantum yield spectroscopy. Further studies were carried out by profiling the solar cell parameters vs. temperature and white light intensity

Research on Lessening of Bonding Effects Between the Metallic and Non-Metallic Surfaces Through the Graphite Films Deposited with Pulsed Electrical Discharges Process

Science.gov (United States)

Marin, L.; Topala, P.

2017-06-01

The paper presents the results of experimental research on the physics of natural graphite film formation, the establishment of chemical composition and functional properties of the graphite films, formed on metal surfaces, as a result of the action of plasma in the air environment, at a normal pressure, under the electrical discharge in impulse conditions (EDI). The researchings were performed in the frame of doctoral thesis “Research on lessening of the bonding effects between the metallic and nonmetallic surfaces through the graphite films” and aimed to identify the phenomena that occur at the interface metal/ film of graphite, and to identify also the technological applications that it may have the surface treatment for submitting the films of graphite on metallic surfaces achieved through an innovative process of electrical pulsed discharges. After the research works from the PhD theme above mentioned, a number of interesting properties of graphite pellicle have been identified ie reducing of metal surface polarity. This led to drastic decreases for the values of adhesion when bonding of metal surfaces was performed using a structural polyurethane adhesive designed by ICECHIM. Following the thermo-gravimetric analysis, performed of the graphite film obtained by process of electrical pulsed discharges, have been also discovered other interesting properties for this, ie reversible mass additions at specific values of the working temperature Chemical and scanning electron microscopy analysis have revealed that on the metallic surface subjected to electrical pulsed discharges process, outside the graphite film, it is also obtained a series of spatial formation composed of carbon atoms fullerenes type which are responsible for the phenomenon of addition of mass.

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.

Special graphites

International Nuclear Information System (INIS)

Leveque, P.

1964-01-01

A large fraction of the work undertaken jointly by the Commissariat a l'Energie Atomique (CEA) and the Pechiney Company has been the improvement of the properties of nuclear pile graphite and the opening up of new fields of graphite application. New processes for the manufacture of carbons and special graphites have been developed: forged graphite, pyro-carbons, high density graphite agglomeration of graphite powders by cracking of natural gas, impervious graphites. The physical properties of these products and their reaction with various oxidising gases are described. The first irradiation results are also given. (authors) [fr

Photophysics of fullerenes: Thermionic emission

International Nuclear Information System (INIS)

Compton, R.N.; Tuinman, A.A.; Huang, J.

1996-01-01

Multiphoton ionization of fullerenes using long-pulse length lasers occurs mainly through vibrational autoionization. In many cases the laser ionization can be described as thermionic in analogy to the boiling off of electrons from a filament. Thermionic emission manifests itself as a delayed emission of electrons following pulsed laser excitation. Klots has employed quasiequilibrium theory to calculate rate constants for thermionic emission from fullerenes which seem to quantitatively account for the observed delayed emission times and the measured electron energy distributions. The theory of Klots also accounts for the thermionic emission of C 60 excited by a low power CW Argon Ion laser. Recently Klots and Compton have reviewed the evidence for thermionic emission from small aggregates where mention was also made of experiments designed to determine the effects of externally applied electric fields on thermionic emission rates. The authors have measured the fullerene ion intensity as a function of the applied electric field and normalized this signal to that produced by single photon ionization of an atom in order to correct for all collection efficiency artifacts. The increase in fullerene ion signal relative to that of Cs + is attributed to field enhanced thermionic emission. From the slope of the Schottky plot they obtain a temperature of approximately 1,000 K. This temperature is comparable to but smaller than that estimated from measurements of the electron kinetic energies. This result for field enhanced thermionic emission is discussed further by Klots and Compton. Thermionic emission from neutral clusters has long been known for autodetachment from highly excited negative ions. Similarly, electron attachment to C 60 in the energy range from 8 to 12 eV results in C 60 anions with lifetimes in the range of microseconds. Quasiequilibrium theory (QET) calculations are in reasonable accord with these measurements

Photophysics of fullerenes: Thermionic emission

Energy Technology Data Exchange (ETDEWEB)

Compton, R.N. [Univ. of Tennessee, Knoxville, TN (United States)]|[Oak Ridge National Lab., TN (United States); Tuinman, A.A. [Univ. of Tennessee, Knoxville, TN (United States); Huang, J. [Ames Lab., IA (United States)

1996-09-01

Multiphoton ionization of fullerenes using long-pulse length lasers occurs mainly through vibrational autoionization. In many cases the laser ionization can be described as thermionic in analogy to the boiling off of electrons from a filament. Thermionic emission manifests itself as a delayed emission of electrons following pulsed laser excitation. Klots has employed quasiequilibrium theory to calculate rate constants for thermionic emission from fullerenes which seem to quantitatively account for the observed delayed emission times and the measured electron energy distributions. The theory of Klots also accounts for the thermionic emission of C{sub 60} excited by a low power CW Argon Ion laser. Recently Klots and Compton have reviewed the evidence for thermionic emission from small aggregates where mention was also made of experiments designed to determine the effects of externally applied electric fields on thermionic emission rates. The authors have measured the fullerene ion intensity as a function of the applied electric field and normalized this signal to that produced by single photon ionization of an atom in order to correct for all collection efficiency artifacts. The increase in fullerene ion signal relative to that of Cs{sup +} is attributed to field enhanced thermionic emission. From the slope of the Schottky plot they obtain a temperature of approximately 1,000 K. This temperature is comparable to but smaller than that estimated from measurements of the electron kinetic energies. This result for field enhanced thermionic emission is discussed further by Klots and Compton. Thermionic emission from neutral clusters has long been known for autodetachment from highly excited negative ions. Similarly, electron attachment to C{sub 60} in the energy range from 8 to 12 eV results in C{sub 60} anions with lifetimes in the range of microseconds. Quasiequilibrium theory (QET) calculations are in reasonable accord with these measurements.

Carbon Nanotropes: A Contemporary Paradigm in Drug Delivery

Directory of Open Access Journals (Sweden)

Avinash C. Tripathi

2015-05-01

Full Text Available Discovery of fullerenes and other nanosized carbon allotropes has opened a vast new field of possibilities in nanotechnology and has become one of the most promising research areas. Carbon nanomaterials have drawn interest as carriers of biologically pertinent molecules due to their distinctive physical, chemical and physiological properties. We have assigned the nomenclature “Carbon Nanotropes” to the nanosized carbon allotropes. Carbon nanotropes such as fullerenes, carbon nanotubes (CNTs and graphenes, have exhibited wide applicability in drug delivery, owing to their small size and biological activity. The nanotherapeutics/diagnostics will allow a deeper understanding of human ills including cancer, neurodegenerative diseases, genetic disorders and various other complications. Recently, nanomaterials with multiple functions, such as drug carrier, MRI, optical imaging, photothermal therapy, etc., have become more and more popular in the domain of cancer and other areas of research. This review is an endeavor to bring together the usefulness of the carbon nanomaterials in the field of drug delivery. The last section of the review encompasses the recent patents granted on carbon nanotropes at United State Patent Trademark Office (USPTO in the related field.

Fullerene films and fullerene-dodecylamine adduct monolayers at air-water interfaces studied by neutron and x-ray reflection

DEFF Research Database (Denmark)

Wang, J.Y.; Vaknin, D.; Uphaus, R.A.

1994-01-01

Neutron and X-ray reflection measurements and surface pressure isotherms of spread films of the fullerene-dodecylamine adduct C60-[NH2(CH2)11CH3]x all indicate that this material may form monomolecular layers on water surfaces. The reflection data sets (neutron on both H2O and D2O) can be accounted...... for by a single model structure defined in terms of the dimensions of an average cell and its chemical composition. This model ascribes a total thickness of about 29 angstrom to the molecular interface layer with the following internal structure. The fullerenes (with several alkyl chains attached) form a central...... stratum and the remainder alkyl tails are located close to both the air and the water interfaces. The alkyl moieties close to the aqueous substrate are hydrated. The reflection experiments and the isotherms suggest that on average 8 +/- 3 dodecylamine molecules are present per fullerene, consistent within...

Method for producing dustless graphite spheres from waste graphite fines

Science.gov (United States)

Pappano, Peter J [Oak Ridge, TN; Rogers, Michael R [Clinton, TN

2012-05-08

A method for producing graphite spheres from graphite fines by charging a quantity of spherical media into a rotatable cylindrical overcoater, charging a quantity of graphite fines into the overcoater thereby forming a first mixture of spherical media and graphite fines, rotating the overcoater at a speed such that the first mixture climbs the wall of the overcoater before rolling back down to the bottom thereby forming a second mixture of spherical media, graphite fines, and graphite spheres, removing the second mixture from the overcoater, sieving the second mixture to separate graphite spheres, charging the first mixture back into the overcoater, charging an additional quantity of graphite fines into the overcoater, adjusting processing parameters like overcoater dimensions, graphite fines charge, overcoater rotation speed, overcoater angle of rotation, and overcoater time of rotation, before repeating the steps until graphite fines are converted to graphite spheres.

Study of the effect of magnesium concentration on the deposit of allotropic forms of calcium carbonate and related carbon steel interface behavior

International Nuclear Information System (INIS)

Ben Amor, Y.; Bousselmi, L.; Tribollet, B.; Triki, E.

2010-01-01

Different allotropic forms of calcium carbonate scales were electrochemically deposited on a carbon steel surface in artificial underground Tunisian water at -0.95 V SCE and various Mg 2+ concentrations. Because of the importance of the diffusion process, the rotating disk electrode was used. The deposition kinetics were analyzed by chronoamperometry measurements and the calcareous layers were characterized by electrochemical impedance spectroscopy (EIS) and scanning electron microscopy (SEM). The physical model proposed by Gabrielli was used to analyze the EIS measurements. Independent of the deposited allotropic form of calcium carbonate, the measurements showed that the oxygen reduction occurs in the pores formed between the CaCO 3 crystals and the metallic surface.

Allotropic Carbon Nanoforms as Advanced Metal-Free Catalysts or as Supports

Directory of Open Access Journals (Sweden)

Hermenegildo Garcia

2014-01-01

Full Text Available This perspective paper summarizes the use of three nanostructured carbon allotropes as metal-free catalysts (“carbocatalysts” or as supports of metal nanoparticles. After an introductory section commenting the interest of developing metal-free catalysts and main features of carbon nanoforms, the main body of this paper is focused on exemplifying the opportunities that carbon nanotubes, graphene, and diamond nanoparticles offer to develop advanced catalysts having active sites based on carbon in the absence of transition metals or as large area supports with special morphology and unique properties. The final section provides my personal view on future developments in this field.

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

Science.gov (United States)

Lee, Jae Kwan; Kim, Jonggi; Yang, Changduk

2011-12-01

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.

Structural disorder of graphite and implications for graphite thermometry

Science.gov (United States)

Kirilova, Martina; Toy, Virginia; Rooney, Jeremy S.; Giorgetti, Carolina; Gordon, Keith C.; Collettini, Cristiano; Takeshita, Toru

2018-02-01

Graphitization, or the progressive maturation of carbonaceous material, is considered an irreversible process. Thus, the degree of graphite crystallinity, or its structural order, has been calibrated as an indicator of the peak metamorphic temperatures experienced by the host rocks. However, discrepancies between temperatures indicated by graphite crystallinity versus other thermometers have been documented in deformed rocks. To examine the possibility of mechanical modifications of graphite structure and the potential impacts on graphite thermometry, we performed laboratory deformation experiments. We sheared highly crystalline graphite powder at normal stresses of 5 and 25 megapascal (MPa) and aseismic velocities of 1, 10 and 100 µm s-1. The degree of structural order both in the starting and resulting materials was analyzed by Raman microspectroscopy. Our results demonstrate structural disorder of graphite, manifested as changes in the Raman spectra. Microstructural observations show that brittle processes caused the documented mechanical modifications of the aggregate graphite crystallinity. We conclude that the calibrated graphite thermometer is ambiguous in active tectonic settings.

Asymptomatic Intracorneal Graphite Deposits following Graphite Pencil Injury

OpenAIRE

Philip, Swetha Sara; John, Deepa; John, Sheeja Susan

2012-01-01

Reports of graphite pencil lead injuries to the eye are rare. Although graphite is considered to remain inert in the eye, it has been known to cause severe inflammation and damage to ocular structures. We report a case of a 12-year-old girl with intracorneal graphite foreign bodies following a graphite pencil injury.

Self-organization processes in polysiloxane block copolymers, initiated by modifying fullerene additives

Science.gov (United States)

Voznyakovskii, A. P.; Kudoyarova, V. Kh.; Kudoyarov, M. F.; Patrova, M. Ya.

2017-08-01

Thin films of a polyblock polysiloxane copolymer and their composites with a modifying fullerene C60 additive are studied by atomic force microscopy, Rutherford backscattering, and neutron scattering. The data of atomic force microscopy show that with the addition of fullerene to the bulk of the polymer matrix, the initial relief of the film surface is leveled more, the larger the additive. This trend is associated with the processes of self-organization of rigid block sequences, which are initiated by the field effect of the surface of fullerene aggregates and lead to an increase in the number of their domains in the bulk of the polymer matrix. The data of Rutherford backscattering and neutron scattering indicate the formation of additional structures with a radius of 60 nm only in films containing fullerene, and their fraction increases with increasing fullerene concentration. A comparative analysis of the data of these methods has shown that such structures are, namely, the domains of a rigid block and are not formed by individual fullerene aggregates. The interrelation of the structure and mechanical properties of polymer films is considered.

Damaging process of graphite - new model and its impact on degradation of materials performance

International Nuclear Information System (INIS)

Tanabe, T.; Muto, S.

1999-01-01

The most widely accepted model for development of defect structure in neutron irradiated graphite has been such that following the first production of a pair of an interstitial and vacancy, di-interstitials and vacancies are formed and their subsequent growth would result in the production of an interstitial plane or loop in-between the basal planes and vacancy clusters, respectively, which could cause the loss of thermal conductivity and dimensional change. Recently we have claimed that the formation of vacancy clusters and growth of the interstitial planes are not necessarily a unique interpretation of the damaging process. Instead, the damaging process is described by orientational disordering within the basal planes, i.e. fragmentation into small crystallites and rotation of their crystalline axes, change of stacking order and elongation of the interplanar spacing. The orientational disordering within the basal planes proceeds coordinately over a few layers with their layered correlation maintained. This process accompanies changes in bonding nature producing 5 member- and 7 member-atomic rings as appeared in fullerenes. This is so to speak ''self-restoring or reconstruction'' to maintain resonance bonds as strict as possible without the formation of dangling bonds. This paper reviews irradiation effects in graphite such as increase of hydrogen retention, loss of thermal conductivity and dimensional change on the bases of our new model, taking account of the changes of the bonding nature in irradiated graphite. (orig.)

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

Growth of single-wall carbon nanotubes by chemical vapor deposition for electrical devices

OpenAIRE

Furer, Jürg

2006-01-01

Carbon emerges in di®erent forms. Diamond and graphite have been well known mate- rials for centuries. Moreover fullerenes and nanotubes were discovered only a few years ago. H. W. Kroto et al. depicted the fullerenes in 1985 [1]. A few years later, in 1991, S. Iijima described carbon nanotubes (CNTs) for the ¯rst time [2] (Figure 1.1). CNTs have a close relation to graphite, since a single-wall carbon nanotube is like a rolled-up graphite mono layer. However a nanotube has wi...

Fullerenes: prospects of using in medicine, biology and ecology

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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.

Table of periodic properties of fullerenes based on structural parameters.

Science.gov (United States)

Torrens, Francisco

2004-01-01

The periodic table (PT) of the elements suggests that hydrogen could be the origin of everything else. The construction principle is an evolutionary process that is formally similar to those of Darwin and Oparin. The Kekulé structure count and permanence of the adjacency matrix of fullerenes are related to structural parameters involving the presence of contiguous pentagons p, q and r. Let p be the number of edges common to two pentagons, q the number of vertices common to three pentagons, and r the number of pairs of nonadjacent pentagon edges shared between two other pentagons. Principal component analysis (PCA) of the structural parameters and cluster analysis (CA) of the fullerenes permit classifying them and agree. A PT of the fullerenes is built based on the structural parameters, PCA and CA. The periodic law does not have the rank of the laws of physics. (1) The properties of the fullerenes are not repeated; only, and perhaps, their chemical character. (2) The order relationships are repeated, although with exceptions. The proposed statement is the following: The relationships that any fullerene p has with its neighbor p + 1 are approximately repeated for each period.

Procedure of identification of fullerenes isolated from iron-carbon alloys

International Nuclear Information System (INIS)

Zakirnichnaya, M.M.

2001-01-01

A method of fullerenes isolation from the structure of iron-carbon alloys and their identification using physical methods which provide determination of the different parameters of nanoobjects is developed. Qualitative (mass-spectrometry of positive and negative ions, small angle X-ray scattering) and quantitative (IR-spectrometry, liquid chromatography) evaluation of fullerenes in the samples obtained from iron-carbon alloys and their visual observation using scanning tunnel microscopy are performed. It is found that the method provides isolation and identification of fullerenes present in the structure of steels and irons [ru

Continuum Navier-Stokes modelling of water ow past fullerene molecules

DEFF Research Database (Denmark)

Walther, J. H.; Popadic, A.; Koumoutsakos, P.

We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently...

Continuum Navier-Stokes modelling of water flow past fullerene molecules

DEFF Research Database (Denmark)

Walther, J. H.; Popadic, A.; Koumoutsakos, P.

We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently...

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

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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.

Carboxylated fullerene at the oil/water interface

OpenAIRE

Li, R; Chai, Y; Jiang, Y; Ashby, PD; Toor, A; Russell, TP

2017-01-01

© 2017 American Chemical Society. The self-assembly of carboxylated fullerene with poly(styrene-b-2-vinylpyridine) (PS-b-P2VP) with different molecular weights, poly-2-vinylpyridine, and amine-terminated polystyrene, at the interface between toluene and water was investigated. For all values of the pH, the functionalized fullerene interacted with the polymers at the water/toluene interface, forming a nanoparticle network, reducing the interfacial tension. At pH values of 4.84 and 7.8, robust,...

The Promoting Role of Different Carbon Allotropes Cocatalysts for Semiconductors in Photocatalytic Energy Generation and Pollutants Degradation

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Weiwei Han

2017-10-01

Full Text Available Semiconductor based photocatalytic process is of great potential for solving the fossil fuels depletion and environmental pollution. Loading cocatalysts for the modification of semiconductors could increase the separation efficiency of the photogenerated hole-electron pairs, enhance the light absorption ability of semiconductors, and thus obtain new composite photocatalysts with high activities. Kinds of carbon allotropes, such as activated carbon, carbon nanotubes, graphene, and carbon quantum dots have been used as effective cocatalysts to enhance the photocatalytic activities of semiconductors, making them widely used for photocatalytic energy generation, and pollutants degradation. This review focuses on the loading of different carbon allotropes as cocatalysts in photocatalysis, and summarizes the recent progress of carbon materials based photocatalysts, including their synthesis methods, the typical applications, and the activity enhancement mechanism. Moreover, the cocatalytic effect among these carbon cocatalysts is also compared for different applications. We believe that our work can provide enriched information to harvest the excellent special properties of carbon materials as a platform to develop more efficient photocatalysts for solar energy utilization.

Structural disorder of graphite and implications for graphite thermometry

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M. Kirilova

2018-02-01

Full Text Available Graphitization, or the progressive maturation of carbonaceous material, is considered an irreversible process. Thus, the degree of graphite crystallinity, or its structural order, has been calibrated as an indicator of the peak metamorphic temperatures experienced by the host rocks. However, discrepancies between temperatures indicated by graphite crystallinity versus other thermometers have been documented in deformed rocks. To examine the possibility of mechanical modifications of graphite structure and the potential impacts on graphite thermometry, we performed laboratory deformation experiments. We sheared highly crystalline graphite powder at normal stresses of 5 and 25  megapascal (MPa and aseismic velocities of 1, 10 and 100 µm s−1. The degree of structural order both in the starting and resulting materials was analyzed by Raman microspectroscopy. Our results demonstrate structural disorder of graphite, manifested as changes in the Raman spectra. Microstructural observations show that brittle processes caused the documented mechanical modifications of the aggregate graphite crystallinity. We conclude that the calibrated graphite thermometer is ambiguous in active tectonic settings.

Vibrational Spectra of Tetrahedral Fullerenes.

Science.gov (United States)

Cheng; Li; Tang

1999-01-01

From the topological structures of the following classes of tetrahedral fullerenes-(1) Cn(h, h; -i, i), Cn(h, 0; -i, 2i), Cn(2h + i, -h + i; i, i), Cn(h - i, h + 2i; -i, 2i), and Cn(h, i; 0, i) for Td symmetry; (2) Cn(h, k; k, h), Cn(h, k; -h - k, k), and Cn(h, k; -h, h + k) for Th symmetry; (3) Cn(h, k; i, j) for T symmetry-we have obtained theoretically the formulas for the numbers of their IR and Raman active modes for all of the tetrahedral fullerenes through the decomposition of their nuclear motions into irreducible representations by means of group theory. Copyright 1999 Academic Press.

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 i...

Porphyrin and fullerene-based artificial photosynthetic materials for photovoltaics

International Nuclear Information System (INIS)

Imahori, Hiroshi; Kashiwagi, Yukiyasu; Hasobe, Taku; Kimura, Makoto; Hanada, Takeshi; Nishimura, Yoshinobu; Yamazaki, Iwao; Araki, Yasuyuki; Ito, Osamu; Fukuzumi, Shunichi

2004-01-01

We have developed artificial photosynthetic systems in which porphyrins and fullerenes are self-assembled as building blocks into nanostructured molecular light-harvesting materials and photovoltaic devices. Multistep electron transfer strategy has been combined with our finding that porphyrin and fullerene systems have small reorganization energies, which are suitable for the construction of light energy conversion systems as well as artificial photosynthetic models. Highly efficient photosynthetic electron transfer reactions have been realized at ITO electrodes modified with self-assembled monolayers of porphyrin oligomers as well as porphyrin-fullerene linked systems. Porphyrin-modified gold nanoclusters have been found to have potential as artificial photosynthetic materials. These results provide basic information for the development of nanostructured artificial photosynthetic systems

Theoretical studies of zirconium and carbon clusters with molecular dynamics simulations

International Nuclear Information System (INIS)

Zhang, B.

1993-08-01

In this dissertation, we will present a systematic study of structures of fullerenes ranging from C 20 to C 100 by introducing a novel scheme. Using our new scheme, we not only reproduce all known fullerene structures but also successfully predicted several other fullerene structures which were confirmed by experiments. By utilizing the tight-binding molecular-dynamic (TBMD) simulation, we also studied the dynamical behavior of fullerenes: Vibrations, thermal disintegration of individual clusters as well as collisions between fullerenes. If the beauty of carbon fullerene is not enough, people found that carbon can also form tubules and even speculated that they can form three-dimensional graphite-like networks. By extending our fullerene structure searching scheme, we performed a search for the ground-state structure of three dimensional carbon network. We found the most stable structure people ever proposed for simple cubic based networks. From the difference of this new form of carbon and graphite in the electronic and vibrational properties, we propose an experimental probe to identify these novel three-dimensional carbon networks

GTC/CanariCam Mid-IR Imaging of the Fullerene-rich Planetary Nebula IC 418: Searching for the Spatial Distribution of Fullerene-like Molecules

Science.gov (United States)

Díaz-Luis, J. J.; García-Hernández, D. A.; Manchado, A.; García-Lario, P.; Villaver, E.; García-Segura, G.

2018-03-01

We present seeing-limited narrow-band mid-IR GTC/CanariCam images of the spatially extended fullerene-containing planetary nebula (PN) IC 418. The narrow-band images cover the C60 fullerene band at 17.4 μm, the polycyclic aromatic hydrocarbon like (PAH-like) feature at 11.3 μm, the broad 9–13 μm feature, and their adjacent continua at 9.8 and 20.5 μm. We study the relative spatial distribution of these complex species, all detected in the Spitzer and Infrared Space Observatory spectra of IC 418, with the aim of getting observational constraints to the formation process of fullerenes in H-rich circumstellar environments. A similar ring-like extended structure is seen in all narrow-band filters, except in the dust continuum emission at 9.8 μm, which peaks closer to the central star. The continuum-subtracted images display a clear ring-like extended structure for the carrier of the broad 9–13 μm emission, while the spatial distribution of the (PAH-like) 11.3 μm emission is not so well defined. Interestingly, a residual C60 17.4 μm emission (at about 4σ from the sky background) is seen when subtracting the dust continuum emission at 20.5 μm. This residual C60 emission, if real, might have several interpretations, the most exciting being perhaps that other fullerene-based species like hydrogenated fullerenes with very low H-content may contribute to the observed 17.4 μm emission. We conclude that higher sensitivity mid-IR images and spatially resolved spectroscopic observations (especially in the Q-band) are necessary to get some clues about fullerene formation in PNe.

Electronic transport properties aspects and structure of polymer-fullerene based organic semiconductors for photovoltaic devices

International Nuclear Information System (INIS)

Adamopoulos, G.; Heiser, T.; Giovanella, U.; Ould-Saad, S.; Wetering, K.I. van de; Brochon, C.; Zorba, T.; Paraskevopoulos, K.M.; Hadziioannou, G.

2006-01-01

A series of polystyrene (PS) and fullerene (C 60 ) based thin films containing from 23 to 60 wt.% in fullerene were investigated. Initially, the films were characterised by Fourier Transform Infrared Spectroscopy (FTIR) spectroscopy where the characteristic absorption bands of both the fullerene and the polystyrene were revealed. The additional characteristic absorption bands due the grafted fullerene to polystyrene were revealed as well. The relative peak intensities provided with qualitative information of the films stoichiometry in terms of the fullerene's amount that was grafted to polystyrene. The optical properties of the films were investigated by spectroscopic ellipsometry (SE). It was found that the increase of the fullerene's amount that was grafted to polystyrene results in an increase of the absorption coefficient α, refractive index n, extinction coefficient k as well as in the dielectric constant ε ∝ within the range between 2.4 and 2.8 for the lower and higher fullerene content, respectively. The films' J-V characteristics, of the space charge limited current (SCLC) behaviour, showed increased currents with increasing the fullerene's content. The electron mobility was extracted and found to increase with increasing the fullerene amount, from 4 x 10 -9 cm 2 /V s to 2 x 10 -7 cm 2 /V s

Rigid rod spaced fullerene as building block for nanoclusters

Indian Academy of Sciences (India)

By using phenylacetylene based rigid-rod linkers (PhA), we have successfully synthesized two fullerene derivatives, C60-PhA and C60-PhA-C60. The absorption spectral features of C60, as well as that of the phenylacetylene moiety are retained in the monomeric forms of these fullerene derivatives, ruling out the possibility ...

Ultra-low friction and excellent elastic recovery of fullerene-like ...

Indian Academy of Sciences (India)

Multilayer fullerene-like hydrogenated carbon (FL-C:H) films were synthesized by using the chemical vapourdeposition technique with a different flow rate of methane. The typical fullerene-like structure of as-prepared films wasinvestigated by using transmission electron microscopy and Raman spectra. The prepared ...

On the Evaporation Kinetics of [60] Fullerene in Aromatic Organic Solvents

KAUST Repository

Amer, Maher S.; Wang, Wenhu; Kollins, Kaitlin N; Altalebi, Hasanain; Schwingenschlö gl, Udo

2018-01-01

We investigate the effect of C60 fullerene nanospheres on the evaporation kinetics of a number of aromatic solvents with different levels of molecular association, namely, benzene, toluene, and chlorobenzene. The dependence of the evaporation rate on the fullerene concentration is not monotonic but rather exhibits maxima and minima. The results strongly support the notion of molecular structuring within the liquid solvent controlled by the nature of fullerene/solvent interaction and the level of molecular association within the solvent itself.

Centrosymmetric Graphs And A Lower Bound For Graph Energy Of Fullerenes

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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.

On the Evaporation Kinetics of [60] Fullerene in Aromatic Organic Solvents

KAUST Repository

Amer, Maher S.

2018-04-03

We investigate the effect of C60 fullerene nanospheres on the evaporation kinetics of a number of aromatic solvents with different levels of molecular association, namely, benzene, toluene, and chlorobenzene. The dependence of the evaporation rate on the fullerene concentration is not monotonic but rather exhibits maxima and minima. The results strongly support the notion of molecular structuring within the liquid solvent controlled by the nature of fullerene/solvent interaction and the level of molecular association within the solvent itself.

Simulating fullerene ball bearings of ultra-low friction

International Nuclear Information System (INIS)

Li Xiaoyan; Yang Wei

2007-01-01

We report the direct molecular dynamics simulations for molecular ball bearings composed of fullerene molecules (C 60 and C 20 ) and multi-walled carbon nanotubes. The comparison of friction levels indicates that fullerene ball bearings have extremely low friction (with minimal frictional forces of 5.283 x 10 -7 and 6.768 x 10 -7 nN/atom for C 60 and C 20 bearings) and energy dissipation (lowest dissipation per cycle of 0.013 and 0.016 meV/atom for C 60 and C 20 bearings). A single fullerene inside the ball bearings exhibits various motion statuses of mixed translation and rotation. The influences of the shaft's distortion on the long-ranged potential energy and normal force are discussed. The phonic dissipation mechanism leads to a non-monotonic function between the friction and the load rate for the molecular bearings

Experimental and computational studies of Si-doped fullerenes

Energy Technology Data Exchange (ETDEWEB)

Billas, I.M.L.; Tast, F.; Branz, W.; Malinowski, N.; Heinebrodt, M.; Martin, T.P.; Boero, M.; Massobrio, C.; Parrinello, M. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

1999-12-01

Silicon in-cage doped fullerenes result from laser-induced photofragmentation of mixed clusters of composition C{sub 60}Si{sub x}. These parent clusters are produced in a low pressure condensation cell, through the mixing of silicon vapor with a vapor containing the preformed C{sub 60} molecules. The geometric and the electronic structures of fullerenes substitutionally doped with one and two silicon atoms are studied by ab-initio calculations within density functional theory. (orig.)

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

Preparation of fullerene/glass composites

Science.gov (United States)

Mattes, Benjamin R.; McBranch, Duncan W.; Robinson, Jeanne M.; Koskelo, Aaron C.; Love, Steven P.

1995-01-01

Synthesis of fullerene/glass composites. A direct method for preparing solid solutions of C.sub.60 in silicon dioxide (SiO.sub.2) glass matrices by means of sol-gel chemistry is described. In order to produce highly concentrated fullerene-sol-gel-composites it is necessary to increase the solubility of these "guests" in a delivery solvent which is compatible with the starter sol (receiving solvent). Sonication results in aggregate disruption by treatment with high frequency sound waves, thereby accelerating the rate of hydrolysis of the alkoxide precursor, and the solution process for the C.sub.60. Depending upon the preparative procedure, C.sub.60 dispersed within the glass matrix as microcrystalline domains, or dispersed as true molecular solutions of C.sub.60 in a solid glass matrix, is generated by the present method.

Inflammogenic effect of well-characterized fullerenes in inhalation and intratracheal instillation studies

Directory of Open Access Journals (Sweden)

Yamamoto Kazuhiro

2010-03-01

Full Text Available Abstract Background We used fullerenes, whose dispersion at the nano-level was stabilized by grinding in nitrogen gas in an agitation mill, to conduct an intratracheal instillation study and an inhalation exposure study. Fullerenes were individually dispersed in distilled water including 0.1% Tween 80, and the diameter of the fullerenes was 33 nm. These suspensions were directly injected as a solution in the intratracheal instillation study. The reference material was nickel oxide in distilled water. Wistar male rats intratracheally received a dose of 0.1 mg, 0.2 mg, or 1 mg of fullerenes and were sacrificed after 3 days, 1 week, 1 month, 3 months, and 6 months. In the inhalation study, Wistar rats were exposed to fullerene agglomerates (diameter: 96 ± 5 nm; 0.12 ± 0.03 mg/m3; 6 hours/days for 5 days/week for 4 weeks and were sacrificed at 3 days, 1 month, and 3 months after the end of exposure. The inflammatory responses and gene expression of cytokine-induced neutrophil chemoattractants (CINCs were examined in rat lungs in both studies. Results In the intratracheal instillation study, both the 0.1 mg and 0.2 mg fullerene groups did not show a significant increase of the total cell and neutrophil count in BALF or in the expression of CINC-1,-2αβ and-3 in the lung, while the high-dose, 1 mg group only showed a transient significant increase of neutrophils and expression of CINC-1,-2αβ and -3. In the inhalation study, there were no increases of total cell and neutrophil count in BALF, CINC-1,-2αβ and-3 in the fullerene group. Conclusion These data in intratracheal instillation and inhalation studies suggested that well-dispersed fullerenes do not have strong potential of neutrophil inflammation.

Pinning of fullerene lowest unoccupied molecular orbital edge at the interface with standing up copper phthalocyanine

International Nuclear Information System (INIS)

Wang, Chenggong; Irfan, Irfan; Turinske, Alexander J.; Gao, Yongli

2012-01-01

The electronic structure evolution of interfaces of fullerene (C 60 ) with copper phthalocyanine (CuPc) on highly oriented pyrolitic graphite (HOPG) and on native silicon oxide has been investigated with ultra-violet photoemission spectroscopy and inverse photoemission spectroscopy. The lowest unoccupied molecular orbital edge of C 60 was found to be pinned at the interface with CuPc on SiO 2 . A substantial difference in the electron affinity of CuPc on the two substrates was observed as the orientation of CuPc is lying flat on HOPG and standing up on SiO 2 . The ionization potential and electron affinity of C 60 were not affected by the orientation of CuPc due to the spherical symmetry of C 60 molecules. We observed band bending in C 60 on the standing-up orientation of CuPc molecules, while the energy levels of C 60 on the flat lying orientation of CuPc molecules were observed to be flat. - Highlights: ► Orientation of copper phthalocyanine (CuPc) on ordered graphite and silicon oxide. ► Pinning of lowest unoccupied molecular orbital edge of C60 to the Fermi level on CuPc. ► No C60 pinning or band bending was observed on flat laying CuPc. ► Results are useful for organic photovoltaic and organic light emitting diode research.

Adsorption of alanine with heteroatom substituted fullerene for solar cell application: A DFT study.

Science.gov (United States)

Dheivamalar, S; Sugi, L; Ravichandran, K; Sriram, S

2018-05-14

C 20 is the most important fullerene cage and alanine is the simplest representation of a backbone unit of the protein. The absorption feasibility of alanine molecule in the Si-doped C 20 and B-doped C 20 fullerenes has been studied based on calculated electronic properties of fullerenes using density functional theory (DFT). In this work, we explore the ability of Si-doped C 20 , B-doped C 20 fullerene to interact with alanine at the DFT-B3LYP/6-31G, RHF level of theory. We find that noticeable structural change takes place in C 20 when one of its carbon is substituted with Si or B. The molecular geometry, electronic properties and vibrational analysis have also been performed on the title compounds. The NMR study reveals the aromaticity of the pure and doped fullerene compounds. Stability of the doped fullerene - alanine compound arises from hyper conjugative interactions. It leads to one of the major property of bioactivity, charge transfer and delocalization of charge and this properties has been analyzed using Natural Bond Orbital (NBO) analysis. The energy gap of the doped fullerene reveals that there is a decrease in the size of energy gap significantly, making them more reactive as compared to C 20 fullerene. Theoretical studies of the electronic spectra by using time - dependent density functional theory (TD-DFT) method were helpful to interpret the observed electronic transition state. We aim to optimize the performance of the solar cells by altering the frontier orbital energy gaps. Considering all studied properties, it may be inferred that the applicability of C 20 fullerene as the non-linear optical (NLO) material and its NLO property would increase on doping fullerene with Si and B atom. Specifically C 19 Si would be better among them. Copyright © 2018. Published by Elsevier B.V.

Nuclear reactions and radionuclides in the study of fullerenes

International Nuclear Information System (INIS)

Nakahara, H.; Sueki, K.; Sato, W.; Akiyama, K.

2000-01-01

Radiochemical techniques have been applied in various ways to the study of fullerenes and metallofullerenes for the past several years, and they have provided invaluable information pertaining to the stability, structures, and formation of the novel carbon material. This paper reviews those experimental results that have fully shown the usefullness and uniqueness of radionuclides demonstrated in the field of fullerene science. (author)

Fullerene Soot in Eastern China Air: Results from Soot Particle-Aerosol Mass Spectrometer

Science.gov (United States)

Wang, J.; Ge, X.; Chen, M.; Zhang, Q.; Yu, H.; Sun, Y.; Worsnop, D. R.; Collier, S.

2015-12-01

In this work, we present for the first time, the observation and quantification of fullerenes in ambient airborne particulate using an Aerodyne Soot Particle - Aerosol Mass Spectrometer (SP-AMS) deployed during 2015 winter in suburban Nanjing, a megacity in eastern China. The laser desorption and electron impact ionization techniques employed by the SP-AMS allow us to differentiate various fullerenes from other aerosol components. Mass spectrum of the identified fullerene soot is consisted by a series of high molecular weight carbon clusters (up to m/z of 2000 in this study), almost identical to the spectral features of commercially available fullerene soot, both with C70 and C60 clusters as the first and second most abundant species. This type of soot was observed throughout the entire study period, with an average mass loading of 0.18 μg/m3, accounting for 6.4% of the black carbon mass, 1.2% of the total organic mass. Temporal variation and diurnal pattern of fullerene soot are overall similar to those of black carbon, but are clearly different in some periods. Combining the positive matrix factorization, back-trajectory and analyses of the meteorological parameters, we identified the petrochemical industrial plants situating upwind from the sampling site, as the major source of fullerene soot. In this regard, our findings imply the ubiquitous presence of fullerene soot in ambient air of industry-influenced area, especially the oil and gas production regions. This study also offers new insights into the characterization of fullerenes from other environmental samples via the advanced SP-AMS technique.

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.

Electronic transport properties aspects and structure of polymer-fullerene based organic semiconductors for photovoltaic devices

Energy Technology Data Exchange (ETDEWEB)

Adamopoulos, G. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France)]. E-mail: geo_adamo@yahoo.fr; Heiser, T. [Institut d' Electronique du Solide et des Systemes (IN.E.S.S.), CNRS/ULP, 23 Rue du Loess, BP 20, 67037 Strasbourg Cedex 02 (France); Giovanella, U. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France); Ould-Saad, S. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France); Wetering, K.I. van de [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France); Brochon, C. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France); Zorba, T. [Physics Department, Solid State Physics Section, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece); Paraskevopoulos, K.M. [Physics Department, Solid State Physics Section, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece); Hadziioannou, G. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France)

2006-07-26

A series of polystyrene (PS) and fullerene (C{sub 60}) based thin films containing from 23 to 60 wt.% in fullerene were investigated. Initially, the films were characterised by Fourier Transform Infrared Spectroscopy (FTIR) spectroscopy where the characteristic absorption bands of both the fullerene and the polystyrene were revealed. The additional characteristic absorption bands due the grafted fullerene to polystyrene were revealed as well. The relative peak intensities provided with qualitative information of the films stoichiometry in terms of the fullerene's amount that was grafted to polystyrene. The optical properties of the films were investigated by spectroscopic ellipsometry (SE). It was found that the increase of the fullerene's amount that was grafted to polystyrene results in an increase of the absorption coefficient {alpha}, refractive index n, extinction coefficient k as well as in the dielectric constant {epsilon} {sub {proportional_to}} within the range between 2.4 and 2.8 for the lower and higher fullerene content, respectively. The films' J-V characteristics, of the space charge limited current (SCLC) behaviour, showed increased currents with increasing the fullerene's content. The electron mobility was extracted and found to increase with increasing the fullerene amount, from 4 x 10{sup -9} cm{sup 2}/V s to 2 x 10{sup -7} cm{sup 2}/V s.

Superconducting Fullerene Nanowhiskers

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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 (K_xC₆₀NWs, while the superconducting volume fractions changed with x. The highest shielding fraction of a full shielding volume was observed in the material of K_3.3C₆₀NW 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 K_xC₆₀NWs in comparison to those of K_xC₆₀ crystals, which show superconductivity at 19 K in K₃C₆₀. The lattice structures are also discussed, based on the x-ray diffraction (XRD analyses.

Investigation of the electronic, magnetic and optical properties of newest carbon allotrope

Science.gov (United States)

Kazemi, Samira; Moradian, Rostam

2018-05-01

We investigate triple properties of monolayer pentagon graphene that include electronic, magnetic and optical properties based on density functional theory (DFT). Our results show that in the electronic and magnetic properties this structure with a direct energy gap of about 2.2 eV along Γ - Γ direction and total magnetic moment of 0.0013 μB per unit cell is almost a non-magnetic semiconductor. Also, its optical properties show that if this allotrope used in solar cell technology, its efficiency in the low energy will be better, because, in the range of energy, its loss energy function and reflectivity will be minimum.

Fullerene C70 decorated TiO2 nanowires for visible-light-responsive photocatalyst

International Nuclear Information System (INIS)

Cho, Er-Chieh; Ciou, Jing-Hao; Zheng, Jia-Huei; Pan, Job; Hsiao, Yu-Sheng; Lee, Kuen-Chan; Huang, Jen-Hsien

2015-01-01

Graphical abstract: - Highlights: • TiO 2 nanowire decorated with C 60 and C 70 derivatives has been synthesized. • The fullerenes impede the charge recombination due to its high electron affinity. • The fullerenes expand the utilization of solar light from UV to visible light. • The modified-TiO 2 has great biocompatibility. - Abstract: In this study, we have synthesized C 60 and C 70 -modified TiO 2 nanowire (NW) through interfacial chemical bonding. The results indicate that the fullerenes (C 60 and C 70 derivatives) can act as sinks for photogenerated electrons in TiO 2 , while the fullerene/TiO 2 is illuminated under ultraviolet (UV) light. Therefore, in comparison to the pure TiO 2 NWs, the modified TiO 2 NWs display a higher photocatalytic activity under UV irradiation. Moreover, the fullerenes also can function as a sensitizer to TiO 2 which expand the utilization of solar light from UV to visible light. The results reveal that the C 70 /TiO 2 NWs show a significant photocatalytic activity for degradation of methylene blue (MB) in visible light region. To better understand the mechanism responsible for the effect of fullerenes on the photocatalytic properties of TiO 2 , the electron only devices and photoelectrochemical cells based on fullerenes/TiO 2 are also fabricated and evaluated.

Elemental and Microscopic Analysis of Naturally Occurring C-O-Si Hetero-Fullerene-Like Structures.

Science.gov (United States)

Hullavarad, Nilima V; Hullavarad, Shiva S; Fochesatto, Javier

2015-03-01

Carbon exhibits an ability to form a wide range of structures in nature. Under favorable conditions, carbon condenses to form hollow, spheroid fullerenes in an inert atmosphere. Using high resolution FESEM, we have concealed the existence of giant hetero-fullerene like structures in the natural form. Clear, distinct features of connected hexagons and pentagons were observed. Energy dispersive X-ray analysis depth-profile of natural fullerene structures indicates that Russian-doll-like configurations composed of C, 0, and Si rings exist in nature. The analysis is based on an outstanding molecular feature found in the size fraction of aerosols having diameters 150 nm to 1.0 µm. The fullerene like structures, which are ~ 150 nm in diameter, are observed in large numbers. To the best of our knowledge, this is the first direct detailed observation of natural fullerene-like structures. This article reports inadvertent observation of naturally occurring hetero-fullerene-like structures in the Arctic.

Geochemie fullerenů

Czech Academy of Sciences Publication Activity Database

Frank, Otakar; Jehlička, J.; Vítek, P.; Juha, Libor; Hamplová, Věra; Pokorná, Zdeňka

2010-01-01

Roč. 104, č. 8 (2010), s. 762-769 ISSN 0009-2770 R&D Projects: GA ČR GA205/07/0772; GA MŠk LC510; GA MŠk(CZ) LC528 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z10100520 Keywords : geochemistry * fullerene s * geological materials Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.620, year: 2010

Comparative Analysis of Carbon Plasma in Arc and RF Reactors

International Nuclear Information System (INIS)

Todorovic-Markovic, B.; Markovic, Z.; Mohai, I.; Szepvolgyi, J.

2004-01-01

Results on studies of molecular spectra emitted in the initial stages of fullerene formation during the processing of graphite powder in induction RF reactor and evaporation of graphite electrodes in arc reactor are presented in this paper. It was found that C2 radicals were dominant molecular species in both plasmas. C2 radicals have an important role in the process of fullerene synthesis. The rotational-vibrational temperatures of C2 and CN species were calculated by fitting the experimental spectra to the simulated ones. The results of optical emission study of C2 radicals generated in carbon arc plasma have shown that rotational temperature of C2 species depends on carbon concentration and current intensity significantly. The optical emission study of induction RF plasma and SEM analysis of graphite powder before and after plasma treatment have shown that evaporation of the processed graphite powder depends on feed rate and composition of gas phase significantly. Based on the obtained results, it was concluded that in the plasma region CN radicals could be formed by the reaction of C2 species with atomic nitrogen at smaller loads. At larger feed rate of graphite powder, CN species were produced by surface reaction of the hot carbon particles with nitrogen atoms. The presence of nitrogen in induction RF plasma reduces the fullerene yield significantly. The fullerene yield obtained in two different reactors was: 13% in arc reactor and 4.1% in induction RF reactor. However, the fullerene production rate was higher in induction RF reactor-6.4 g/h versus 1.7 g/h in arc reactor

The birth of C60: buckminsterfullerene

International Nuclear Information System (INIS)

Kroto, H.

1993-01-01

Almost exactly five years after C 60 : Buckminsterfullerene (fullerene-60) was discovered serendipitously during a series of graphite laser vaporization experiments which were designed to simulate the chemistry in a red giant carbon star, the molecule has been isolated in macroscopic amounts. This breakthrough has triggered an explosion of research into its chemical and physical properties. The molecule has already exhibited a wide range of novel phenomena which promise exciting applications. Whether or not applications arise Buckminsterfullerene has a beauty and elegance that has excited the imaginations of scientists and laymen alike. It seems almost impossible to comprehend how the existence of the third well-characterised allotropic form of carbon could have evaded discovery until almost the end of the twentieth century. New fields of chemistry, physics and materials scince have been born and the articles contained in this volume cover some of the fascinating properties that have been uncovered and which pressage exciting implications for the future. This article surveys some of the key events which led to the birth of these new field and serves as an introduction to this volume. (orig.)

Modelling of energetic molecule-surface interactions

International Nuclear Information System (INIS)

Kerford, M.

2000-09-01

This thesis contains the results of molecular dynamics simulations of molecule-surface interactions, looking particularly at fullerene molecules and carbon surfaces. Energetic impacts of fullerene molecules on graphite create defect craters. The relationship between the parameters of the impacting molecule and the parameters of the crater axe examined and found to be a function of the energy and velocity of the impacting molecule. Less energetic fullerene molecules can be scattered from a graphite surface and the partitioning of energy after a scattering event is investigated. It is found that a large fraction of the kinetic energy retained after impact is translational energy, with a small fraction of rotational energy and a number of vibrational modes. At impact energies where the surface is not broken and at normal incidence, surface waves axe seen to occur. These waves axe used to develop a method of desorbing molecules from a graphite surface without damage to either the surface or the molecules being desorbed. A number of fullerene molecules are investigated and ways to increase the desorption yield are examined. It is found that this is a successful technique for desorbing large numbers of intact molecules from graphite. This technique could be used for desorbing intact molecules into a gas phase for mass spectrometric analysis. (author)

Glycofullerenes: Sweet fullerenes vanquish viruses

Science.gov (United States)

Vidal, Sébastien

2016-01-01

Fullerene-based dendritic structures coated with 120 sugars can be made in high yields in a relatively short sequence of reactions. The mannosylated compound is shown to inhibit Ebola infection in cells more efficiently than monofullerene-based glycoclusters.

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

International Nuclear Information System (INIS)

McCune, Mathew A; De, Ruma; Chakraborty, Himadri S; Madjet, Mohamed E; Manson, Steven T

2011-01-01

Considering the photoionization of a two-layer fullerene-onion system, C 60 -C 240 , 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)

Photodiodes based on fullerene semiconductor

International Nuclear Information System (INIS)

Voz, C.; Puigdollers, J.; Cheylan, S.; Fonrodona, M.; Stella, M.; Andreu, J.; Alcubilla, R.

2007-01-01

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

Laser controlled magnetism in hydrogenated fullerene films

International Nuclear Information System (INIS)

Makarova, Tatiana L.; Shelankov, Andrei L.; Kvyatkovskii, Oleg E.; Zakharova, Irina B.; Buga, Sergei G.; Volkov, Aleksandr P.

2011-01-01

Room temperature ferromagnetic-like behavior in fullerene photopolymerized films treated with monatomic hydrogen is reported. The hydrogen treatment controllably varies the paramagnetic spin concentration and laser induced polymerization transforms the paramagnetic phase to a ferromagnetic-like one. Excess laser irradiation destroys magnetic ordering, presumably due to structural changes, which was continuously monitored by Raman spectroscopy. We suggest an interpretation of the data based on first-principles density-functional spin-unrestricted calculations which show that the excess spin from mono-atomic hydrogen is delocalized within the host fullerene and the laser-induced polymerization promotes spin exchange interaction and spin alignment in the polymerized phase.

Polythiophenes and fullerene derivatives based donor-acceptor system: topography by atomic force microscopy

International Nuclear Information System (INIS)

Marcakova, M. L.; Repovsky, D.; Cik, G.; Velic, D.

2017-01-01

The goal of this work is to examine the surface of a polythiophene/fullerene film in order to understand the structure. In this work polythiophene is used as electron donor and fullerene-derivative is used as electron acceptor. Atomic force microscopy (AFM), is an ideal method to study surfaces and nanostructures. Surfaces of fullerene C60 , fullerene-derivates PCBM, polythiophene P12 and a mixture of P12 and PCBM are characterized. In all samples, the average roughness, the arithmetical value of divergence from the high of the surface, is determined concluding that P12 and PCBM mix together well and form a film with specific topography. (authors)

Structural and phase changes in copper-fullerene films by ion implantation and annealing

International Nuclear Information System (INIS)

Shpilevsky, E.M.; Baran, L.V.; Okatova, G.P.; Jakimovich, A.V.

2001-01-01

The structural and phase changes and the electrical properties of copper - fullerene (Cu-C 60 ) films by the ion implantation(B + , E=80 keV, D 5·10 21 m -2 ) and the thermal annealing are described. We found the copper-fullerene solid supersaturated solution formed in process of the two-component films obtaining. The result of the thermal annealing is the phase segregation of fullerene. It has been established the ion implantation adduces to the partial fragmentation of fullerene, to the destruction of the C 60 molecules and to the formation of the CuB 24 , B 25 C and B 4 C phases

Atomic nitrogen encapsulated in fullerenes: realization of a chemical Faraday cage

International Nuclear Information System (INIS)

Lips, K.

2000-01-01

Fullerenes, C 60 and C 70 , are ideal containers for atomic nitrogen. We will show by electron paramagnetic resonance (EPR) experiments that nitrogen in C 60 keeps its atomic ground state configuration and resides in the center of the cage. This is the first time that atomic nitrogen is stabilized at ambient conditions. The inert shell of the fullerene protects the highly reactive nitrogen from undergoing chemical reactions with the surroundings. The fullerene cage is the chemical analogue of the Faraday cage in case of electrical fields, i.e. it shields off the chemical reactivity. As for the free nitrogen atom, the spins of the three p-electrons of nitrogen in C 60 are parallel (S = 3/2) and the atom has spherical symmetry. Due to the center position of nitrogen in C 60 , extremely sharp EPR lines are observed. This reflects the absence of a strong host-guest interaction and shows that the individuality of nitrogen in the fullerenes is preserved. Further evidence for the almost interaction-free suspension of nitrogen in the fullerene cages is provided by g-factor measurements. These investigations show that magnetic shielding of the host molecules can account for the observed differences between N rate at C 60 and N rate at C 70 . The fullerene cage can be chemically modified without destroying the endohedral complex. The chemical modifications change the symmetry of the molecule which is observed through an additional fine structure in the EPR spectrum. Influences of the modifications on the stability of N rate at C 60 will be discussed. (orig.)

Polymer solar cells based on poly(3-hexylthiophene) and fullerene: Pyrene acceptor systems

Energy Technology Data Exchange (ETDEWEB)

Cominetti, Alessandra; Pellegrino, Andrea; Longo, Luca [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Po, Riccardo, E-mail: riccardo.po@eni.com [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Tacca, Alessandra; Carbonera, Chiara; Salvalaggio, Mario [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Baldrighi, Michele; Meille, Stefano Valdo [Dipartimento di Chimica, Materiali e Ingegneria Chimica “G. Natta”, Politecnico di Milano, via Mancinelli 7, IT-20131 Milano (Italy)

2015-06-01

The replacement of widely used fullerene derivatives, e.g. [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), with unfunctionalized C60 and C70 is an effective approach to reduce the costs of organic photovoltaics. However, solubility issues of these compounds have always represented an obstacle to their use. In this study, bulk-heterojunction solar cells made of poly(3-hexylthiophene) donor polymer, C60 or C70 acceptors and a pyrene derivative (1-pyrenebutiric acid butyl ester) are reported. Butyl 1-pyrenebutirate limits the aggregation of fullerenes and improves the active layer morphology, plausibly due to the formation of pyrene-fullerene complexes which, in the case of pyrene-C70, were also obtained in a crystalline form. Maximum power conversion efficiencies of 1.54% and 2.50% have been obtained using, respectively, C60 or C70 as acceptor. Quantum mechanical modeling provides additional insight into the formation of plausible supermolecular structures via π-π interactions and on the redox behaviour of pyrene-fullerene systems. - Highlights: • Pyrene derivatives favour the dispersion of unfunctionalized fullerenes. • Polymer solar cells with pyrene: C60 adduct as acceptor have efficiencies of 1.54%. • When C60 is substituted with C70 the efficiency is increased to 2.50%. • DFT calculations support the plausibility of the formation of pyrene: fullerene adducts. • The use of unfunctionalized fullerenes may decrease the costs of polymer solar cells.

Interaction between fullerene halves C_n (n ≤ 40) and single wall carbon nanotube

International Nuclear Information System (INIS)

Sharma, Amrish; Kaur, Sandeep; Mudahar, Isha

2016-01-01

We have investigated the structural and electronic properties of carbon nanotube with small fullerene halves C_n (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.

Production of metal fullerene surface layer from various media in the process of steel carbonization

Directory of Open Access Journals (Sweden)

KUZEEV Iskander Rustemovich

2018-04-01

Full Text Available Studies devoted to production of metal fullerene layer in steels when introducing carbon from organic and inorganic media were performed. Barium carbonate was used as an inorganic medium and petroleum pitch was used as an organic medium. In order to generate the required amount of fullerenes in the process of steel samples carbonization, optimal temperature mode was found. The higher temperature, absorption and cohesive effects become less important and polymeric carbon structures destruction processes become more important. On the bottom the temperature is limited by petroleum pitch softening temperature and its transition to low-viscous state in order to enhance molecular mobility and improve the possibility of their diffusion to metal surface. Identification of fullerenes in the surface modified layer was carried out following the methods of IR-Fourier spectrometry and high-performance liquid chromatography. It was found out that nanocarbon structures, formed during carbonization in barium carbonate and petroleum pitch mediums, possess different morphology. In the process of metal carbonization from carbonates medium, the main role in fullerenes synthesis is belonged to catalytic effect of surface with generation of endohedral derivatives in the surface layer; but in the process of carbonization from pitch medium fullerenes are formed during crystallization of the latter and crystallization centers are of fullerene type. Based on theoretical data and dataof spectral and chromatographic analysis, optimal conditions of metal fullerene layer formation in barium carbonate and petroleum pitch mediums were determined. Low cohesion of layer, modified in barium carbonate medium, with metal basis was discovered. That was caused by limited carbon diffusion in the volume of α-Fe. According to the detected mechanism of fullerenes formation on steel surface in gaseous medium, fullerenes are formed on catalytic centers – ferrum atoms, forming thin metal

Molecular design of novel fullerene-based acceptors for enhancing the open circuit voltage in polymer solar cells

Science.gov (United States)

Tajbakhsh, Mahmood; Kariminasab, Mohaddeseh; Ganji, Masoud Darvish; Alinezhad, Heshmatollah

2017-12-01

Organic solar cells, especially bulk hetero-junction polymer solar cells (PSCs), are the most successful structures for applications in renewable energy. The dramatic improvement in the performance of PSCs has increased demand for new conjugated polymer donors and fullerene derivative acceptors. In the present study, quantum chemical calculations were performed for several representative fullerene derivatives in order to determine their frontier orbital energy levels and electronic structures, thereby helping to enhance their performance in PSC devices. We found correlations between the theoretical lowest unoccupied molecular orbital levels and electrophilicity index of various fullerenes with the experimental open circuit voltage of photovoltaic devices according to the poly(3-hexylthiophene) (P3HT):fullerene blend. The correlations between the structure and descriptors may facilitate screening of the best fullerene acceptor for the P3HT donor. Thus, we considered fullerenes with new functional groups and we predicted the output factors for the corresponding P3HT:fullerene blend devices. The results showed that fullerene derivatives based on thieno-o-quinodimethane-C60 with a methoxy group will have enhanced photovoltaic properties. Our results may facilitate the design of new fullerenes and the development of favorable acceptors for use in photovoltaic applications.

Preparation of fluorescent mesoporous hollow silica-fullerene nanoparticles via selective etching for combined chemotherapy and photodynamic therapy

Science.gov (United States)

Yang, Yannan; Yu, Meihua; Song, Hao; Wang, Yue; Yu, Chengzhong

2015-07-01

Well-dispersed mesoporous hollow silica-fullerene nanoparticles with particle sizes of ~50 nm have been successfully prepared by incorporating fullerene molecules into the silica framework followed by a selective etching method. The fabricated fluorescent silica-fullerene composite with high porosity demonstrates excellent performance in combined chemo/photodynamic therapy.Well-dispersed mesoporous hollow silica-fullerene nanoparticles with particle sizes of ~50 nm have been successfully prepared by incorporating fullerene molecules into the silica framework followed by a selective etching method. The fabricated fluorescent silica-fullerene composite with high porosity demonstrates excellent performance in combined chemo/photodynamic therapy. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02769a

Co-Exposure with Fullerene May Strengthen Health Effects of Organic Industrial Chemicals

DEFF Research Database (Denmark)

Lehto, M.; Karilainen, T.; Rog, T.

2014-01-01

In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C-60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene...... which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C-60 and organic chemicals represent different...... co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C-60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C-60 that is more...

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.

Lateral translation of covalently bound fullerenes

International Nuclear Information System (INIS)

Humphry, M J; Beton, P H; Keeling, D L; Fawcett, R H J; Moriarty, P; Butcher, M J; Birkett, P R; Walton, D R M; Taylor, R; Kroto, H W

2006-01-01

Lateral manipulation of fullerenes on clean silicon surfaces may be induced by either an attractive or repulsive interaction between adsorbed molecules and the tip of a scanning probe microscope, and can result in a complex response arising from molecular rolling. The model for rolling is supported by new results which show that manipulation is suppressed for adsorbed functionalized fullerenes due to the presence of phenyl sidegroups. The influence of varying the dwell time of the tip during manipulation is also reported. By reducing this time to a value which is less than the response time of the feedback control loop it is possible to induce manipulation in a quasi-constant height mode which is accompanied by large increases/decreases in current

Voronoi-Tessellated Graphite Produced by Low-Temperature Catalytic Graphitization from Renewable Resources.

Science.gov (United States)

Zhao, Leyi; Zhao, Xiuyun; Burke, Luke T; Bennett, J Craig; Dunlap, Richard A; Obrovac, Mark N

2017-09-11

A highly crystalline graphite powder was prepared from the low temperature (800-1000 °C) graphitization of renewable hard carbon precursors using a magnesium catalyst. The resulting graphite particles are composed of Voronoi-tessellated regions comprising irregular sheets; each Voronoi-tessellated region having a small "seed" particle located near their centroid on the surface. This suggests nucleated outward growth of graphitic carbon, which has not been previously observed. Each seed particle consists of a spheroidal graphite shell on the inside of which hexagonal graphite platelets are perpendicularly affixed. This results in a unique high surface area graphite with a high degree of graphitization that is made with renewable feedstocks at temperatures far below that conventionally used for artificial graphites. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

APPLICATION FULLERENE FOR IDENTIFICATION OF MEAT PRODUCTS CONTAINING KLENBUTEROL

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G. V. Popov

2014-01-01

Full Text Available Summary. In modern conditions the majority of developing livestock complexes, various chemical additives, apply to cattle feeding. One of such preparations is clenbuterol. Clenbuterol is β-2-adrenostimulyator belonging to group β-agonist who stimulate growth of muscular weight and regulate a ratio of fatty and muscular tissue at cultivation of agricultural animals and birds. In Russia results of researches in which it is recommended to apply clenbuterol as a growth factor at cattle cultivation are published. Thus the risk of influences of the residual maintenance of a preparation in animal husbandry production on health of consumers wasn't estimated. We conducted researches in the field of studying of properties fullerene and clenbuterol and their opportunities interaction among themselves. For identification clenbuterol in meat raw materials the synthesis of Prato based on a functionalization fullerene by C60 and C70 consisting in its transformation in fullerene on reactions of a 1,3-dipolar cycloaddition of azomethine ylide on multiple communications of C=C of a fulleren kernel was moved. Reaction took place with allocation of a deposit of the dark color which analysis proved that is a product of interaction of substances investigated by us. This experiment gives the chance to identify clenbuterolfullerene.

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.

Tuning the Properties of Polymer Bulk Heterojunction Solar Cells by Adjusting Fullerene Size to Control Intercalation

KAUST Repository

Cates, Nichole C.; Gysel, Roman; Beiley, Zach; Miller, Chad E.; Toney, Michael F.; Heeney, Martin; McCulloch, Iain; McGehee, Michael D.

2009-01-01

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.

Non-fullerene acceptors for organic solar cells

Science.gov (United States)

Yan, Cenqi; Barlow, Stephen; Wang, Zhaohui; Yan, He; Jen, Alex K.-Y.; Marder, Seth R.; Zhan, Xiaowei

2018-03-01

Non-fullerene acceptors (NFAs) are currently a major focus of research in the development of bulk-heterojunction organic solar cells (OSCs). In contrast to the widely used fullerene acceptors (FAs), the optical properties and electronic energy levels of NFAs can be readily tuned. NFA-based OSCs can also achieve greater thermal stability and photochemical stability, as well as longer device lifetimes, than their FA-based counterparts. Historically, the performance of NFA OSCs has lagged behind that of fullerene devices. However, recent developments have led to a rapid increase in power conversion efficiencies for NFA OSCs, with values now exceeding 13%, demonstrating the viability of using NFAs to replace FAs in next-generation high-performance OSCs. This Review discusses the important work that has led to this remarkable progress, focusing on the two most promising NFA classes to date: rylene diimide-based materials and materials based on fused aromatic cores with strong electron-accepting end groups. The key structure-property relationships, donor-acceptor matching criteria and aspects of device physics are discussed. Finally, we consider the remaining challenges and promising future directions for the NFA OSCs field.

Packing and Disorder in Substituted Fullerenes

KAUST Repository

Tummala, Naga Rajesh; Elroby, Shaaban Ali Kamel; Aziz, Saadullah G.; Risko, Chad; Coropceanu, Veaceslav; Bredas, Jean-Luc

2016-01-01

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

Stereodivergent-at-metal synthesis of [60]fullerene hybrids

Energy Technology Data Exchange (ETDEWEB)

Marco-Martinez, Juan; Vidal, Sara; Fernandez, Israel; Filippone, Salvatore [Departamento de Quimica Organica I, Facultad de Ciencias Quimicas, Universidad Complutense de Madrid (Spain); Martin, Nazario [Departamento de Quimica Organica I, Facultad de Ciencias Quimicas, Universidad Complutense de Madrid (Spain); IMDEA-Nanociencia, C/Faraday, Universidad Autonoma de Madrid (Spain)

2017-02-13

Chiral fullerene-metal hybrids with complete control over the four stereogenic centers, including the absolute configuration of the metal atom, have been synthesized for the first time. The stereochemistry of the four chiral centers formed during [60]fullerene functionalization is the result of both the chiral catalysts employed and the diastereoselective addition of the metal complexes used (iridium, rhodium, or ruthenium). DFT calculations underpin the observed configurational stability at the metal center, which does not undergo an epimerization process. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Affine Fullerene C60 in a GS-Quasigroup

Directory of Open Access Journals (Sweden)

Vladimir Volenec

2014-01-01

Full Text Available It will be shown that the affine fullerene C60, which is defined as an affine image of buckminsterfullerene C60, can be obtained only by means of the golden section. The concept of the affine fullerene C60 will be constructed in a general GS-quasigroup using the statements about the relationships between affine regular pentagons and affine regular hexagons. The geometrical interpretation of all discovered relations in a general GS-quasigroup will be given in the GS-quasigroup C(1/2(1+5.

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...

Fullerene C60 and graphene photosensibiles for photodynamic virus inactivation

Science.gov (United States)

Belousova, I.; Hvorostovsky, A.; Kiselev, V.; Zarubaev, V.; Kiselev, O.; Piotrovsky, L.; Anfimov, P.; Krisko, T.; Muraviova, T.; Rylkov, V.; Starodubzev, A.; Sirotkin, A.; Grishkanich, A.; Kudashev, I.; Kancer, A.; Kustikova, M.; Bykovskaya, E.; Mayurova, A.; Stupnikov, A.; Ruzankina, J.; Afanasyev, M.; Lukyanov, N.; Redka, D.; Paklinov, N.

2018-02-01

A solid-phase photosensitizer based on aggregated C60 fullerene and graphene oxide for photodynamic inactivation of pathogens in biological fluids was studied. The most promising technologies of inactivation include the photodynamic effect, which consists in the inactivation of infectious agents by active oxygen forms (including singlet oxygen), formed when light is activated by the photosensitizer introduced into the plasma. Research shows features of solid-phase systems based on graphene and fullerene C60 oxide, which is a combination of an effective inactivating pathogens (for example, influenza viruses) reactive oxygen species formed upon irradiation of the photosensitizer in aqueous and biological fluids, a high photostability fullerene coatings and the possibility of full recovery photosensitizer from the biological environment after the photodynamic action.

Process for purifying graphite

International Nuclear Information System (INIS)

Clausius, R.A.

1985-01-01

A process for purifying graphite comprising: comminuting graphite containing mineral matter to liberate at least a portion of the graphite particles from the mineral matter; mixing the comminuted graphite particles containing mineral matter with water and hydrocarbon oil to form a fluid slurry; separating a water phase containing mineral matter and a hydrocarbon oil phase containing grahite particles; and separating the graphite particles from the hydrocarbon oil to obtain graphite particles reduced in mineral matter. Depending upon the purity of the graphite desired, steps of the process can be repeated one or more times to provide a progressively purer graphite

Fullerene-doped conducting polymers: effects of enhanced photoconductivity and quenched photoluminescence

International Nuclear Information System (INIS)

Yoshino, K.; Yin, X.H.; Muro, K.; Kiyomatsu, S.; Morita, S.; Zakhidov, A.A.; Noguchi, T.; Ohnishi, T.

1993-01-01

It is found that fullerenes (C 60 , C 70 ), due to their strong electron accepting abilities can be hole generators in conducting polymers sensitizing photoinduced charge transfer. Here we report that photoconductivity of poly(2,5-dialkoxy-p-phenylene-vinylene) OO-PPV is found to be remarkably enhanced by several orders of magnitude upon introduction of several mol % of C 60 . Positive polarons (P + ) photogenerated with increased efficiency due to autoionization of excitons and/or photopumping from fullerene are considered to be responsible for enhanced photoconductivity. Photoluminescence of polymer is strongly quenched upon C 60 doping due to dissociation of excitons accompanied by electron transfer to fullerene. (orig.)

Purification and preparation of graphite oxide from natural graphite

Energy Technology Data Exchange (ETDEWEB)

Panatarani, C., E-mail: c.panatarani@phys.unpad.ac.id; Muthahhari, N.; Joni, I. Made [Instrumentation Systems and Functional Material Processing Laboratory, Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Padjadjaran, Padjadjaran University, Jl. Raya Bandung-Sumedang KM 21, Jatinangor, 45363, Jawa Barat (Indonesia); Rianto, Anton [Grafindo Nusantara Ltd., Belagio Mall Lantai 2, Unit 0 L3-19, Kawasan Mega Kuningan, Kav. B4 No.3, Jakarta Selatan (Indonesia)

2016-03-11

Graphite oxide has attracted much interest as a possible route for preparation of natural graphite in the large-scale production and manipulation of graphene as a material with extraordinary electronic properties. Graphite oxide was prepared by modified Hummers method from purified natural graphite sample from West Kalimantan. We demonstrated that natural graphite is well-purified by acid leaching method. The purified graphite was proceed for intercalating process by modifying Hummers method. The modification is on the reaction time and temperature of the intercalation process. The materials used in the intercalating process are H{sub 2}SO{sub 4} and KMNO{sub 4}. The purified natural graphite is analyzed by carbon content based on Loss on Ignition test. The thermo gravimetricanalysis and the Fouriertransform infrared spectroscopy are performed to investigate the oxidation results of the obtained GO which is indicated by the existence of functional groups. In addition, the X-ray diffraction and energy dispersive X-ray spectroscopy are also applied to characterize respectively for the crystal structure and elemental analysis. The results confirmed that natural graphite samples with 68% carbon content was purified into 97.68 % carbon content. While the intercalation process formed a formation of functional groups in the obtained GO. The results show that the temperature and reaction times have improved the efficiency of the oxidation process. It is concluded that these method could be considered as an important route for large-scale production of graphene.

Potentiometric urea biosensor based on an immobilised fullerene-urease bio-conjugate.

Science.gov (United States)

Saeedfar, Kasra; Heng, Lee Yook; Ling, Tan Ling; Rezayi, Majid

2013-12-06

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 ionophore. This pH-selective membrane is intended to function as a potentiometric urea biosensor with the deposition of C60-urease on the PnBA membrane. Various parameters for fullerene modification and urease immobilization were investigated. The optimal pH and concentration of the phosphate buffer for the urea biosensor were 7.0 and 0.5 mM, respectively. The linear response range of the biosensor was from 2.31 × 10-3 M to 8.28 × 10-5 M. The biosensor's sensitivity was 59.67 ± 0.91 mV/decade, which is close to the theoretical value. Common cations such as Na+, K+, Ca2+, Mg2+ and NH4+ showed no obvious interference with the urea biosensor's response. The use of a fullerene-urease bio-conjugate and an acrylic membrane with good adhesion prevented the leaching of urease enzyme and thus increased the stability of the urea biosensor for up to 140 days.

Transformation of methano[60]fullerenes in dihydrofullerofuranes induced by electron transfer

International Nuclear Information System (INIS)

Yanilkin, V.V.; Toropchina, A.V.; Morozov, V.I.; Nastapova, N.V.; Gubskaya, V.P.; Sibgatullina, F.G.; Azancheev, N.M.; Efremov, Yu.Ya.; Nuretdinov, I.A.

2004-01-01

The electrochemical reduction of methano[60]fullerenes (61-acetyl-61-(diethoxyphosphoryl)methano-60-fullerene 1, 61-acetyl-61-(diisopropoxyphosphoryl)methano-60-fullerene 2, 61-(2,2-diethoxyacetyl)-61-(diethoxy-phosphoryl)methano-60-fullerene 3, 61-phenyl-61-(1,2-dioxo-3,3-dimethyl-buthyl)methano-60-fullerene 4) in o-dichlorobenzene-DMF (3:1 v/v)/0.1 M Bu 4 NBF 4 on a glass-carbon electrode proceeds in a few steps. The reversible transfer of the first electron results in the formation of radical anions registered by ESR method. The subsequent reduction proceeds differently because of the various stability of anionic intermediates. The radical anions of the methanofullerenes 3 and 4 are less stable than the radical anions of compounds 1 and 2 and less stable than the radical anions of methanofullerenes, which contain an ester and/or a phosphonate group. The opening of a cyclopropane ring occurs during the stage of the formation of radical trianions of methanofullerenes 1, 2. The same process for compounds 3, 4 proceeds slowly in radical anions and fast in dianions. The opening of cyclopropane ring for all compounds is not accompanied by the elimination of methanogroup and results in the formation of dihydrofullerenofurane derivatives. The transformation of methanofullerene 3 induced by single electron transfer proceeds via a chain reaction mechanism

Electronic Structure of Single- and Multiple-shell Carbon Fullerenes

OpenAIRE

Lin, Yeong-Lieh; Nori, Franco

1993-01-01

We study the electronic states of giant single-shell and the recently discovered nested multi-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on symmetry, to obtain the $\\pi$-state energy spectra of large fullerene cages: $C_{240}$, $C_{540}$, $C_{960}$, $C_{1500}$, $C_{2160}$ and $C_{2940}$. Our iteration technique reduces the dimensionality of the problem by more than one order of magnitude (factors of $\\...

The co-application effects of fullerene and ascorbic acid on UV-B irradiated mouse skin

International Nuclear Information System (INIS)

Ito, Shinobu; Itoga, Kazuyoshi; Yamato, Masayuki; Akamatsu, Hirohiko; Okano, Teruo

2010-01-01

The role of fullerene as a pro-oxidant or anti-oxidant in Ultraviolet B ray (UV-B)-induced disorders in mouse skin was investigated. Fullerene gave no photo-toxic effect to UV-B-irradiated mouse skin. Since erythema was concentrated at the pore circumference in a UV-B irradiation experiment in mouse skin, the sebaceous gland pairs was strongly implicated as a site for the generation of reactive oxygen species (ROS). In a histological evaluation of the skin stained with CH 3 MDFDA (ROS index) and YO-Pro-1 (apoptosis index), the fluorescence intensity of a sebaceous gland significantly increased with UV-B irradiation. With the application of fullerene to UV-irradiated mouse skin, no toxicity was recognized in comparison with the control, and erythema, the ROS index, and the apoptosis index decrease with the application of fullerene. Ascorbyl radical (AA·) increased with the application of ascorbate (AA) to UV-B-irradiated mouse skin, and AA· decreased with the application of fullerene. The co-application of AA and fullerene, which suppressed AA· in vitro, significantly suppressed erythema, and also suppressed both the ROS index and apoptosis index in mouse skin after UV-B irradiation. In both mouse skin at 48 h after UV-B irradiation and in an attempt to reproduce this phenomenon artificially in vitro, a similar high AA· peak (AA·/H· > 4) was observed in electron spin resonance (ESR) charts. The binding of fullerene with AA impairs the Fenton reaction between AA and Fe-protein based on the observation of ascorbate-specific UV absorption and a linear equation for the calibration curve. Therefore, fullerene may impair the intercalation of AA to a heme pocket by binding with AA. These results suggest that the co-application of AA and fullerene is effective against oxidative skin damage caused by UV-B irradiation, and the development of an AA· inhibitor such as fullerene should be useful for reducing organ damage associated with Fe-protein oxidation.

Melting of Pb clusters encapsulated in large fullerenes

International Nuclear Information System (INIS)

Delogu, Francesco

2011-01-01

Graphical abstract: Encapsulation significantly increases the melting point of nanometer-sized Pb particles with respect to the corresponding unsupported ones. Highlights: → Nanometer-sized Pb particles are encapsulated in fullerene cages. → Their thermal behavior is studied by molecular dynamics simulations. → Encapsulated particles undergo a pressure rise as temperature increases. → Encapsulated particles melt at temperatures higher than unsupported ones. - Abstract: Molecular dynamics simulations have been employed to explore the melting behavior of nanometer-sized Pb particles encapsulated in spherical and polyhedral fullerene cages of suitable size. The encapsulated particles, as well as the corresponding unsupported ones for comparison, were submitted to a gradual temperature rise. Encapsulation is shown to severely affect the thermodynamic behavior of Pb particles due to the different thermal expansion coefficients of particles and cages. This determines a volume constraint that induces a rise of pressure inside the fullerene cages, which operate for particles as rigid confinement systems. The result is that surface pre-melting and melting processes occur in encapsulated particles at temperatures higher than in unsupported ones.

Optimizing Conditions for Ultrasound Extraction of Fullerenes from Coal Matrices

Czech Academy of Sciences Publication Activity Database

Vítek, P.; Jehlička, J.; Frank, Otakar; Hamplová, Věra; Pokorná, Zdeňka; Juha, Libor; Boháček, J.

2009-01-01

Roč. 17, č. 2 (2009), s. 109-122 ISSN 1536-383X R&D Projects: GA ČR GA205/07/0772; GA ČR GA205/03/1468 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z10100520 Keywords : fullerene C60 * Ultrasound -assisted extraction * Extraction yield * Fullerene decomposition Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.710, year: 2009

Superhydrophilic graphite surfaces and water-dispersible graphite colloids by electrochemical exfoliation

Energy Technology Data Exchange (ETDEWEB)

Li, Yueh-Feng [Department of Chemical and Materials Engineering, National Central University, Jhongli, 320 Taiwan (China); Chen, Shih-Ming; Lai, Wei-Hao [Materials and Chemical Research Laboratories, Industrial Technology Research Institute, Chutung, Hsinchu, 31040 Taiwan (China); Sheng, Yu-Jane [Department of Chemical Engineering, National Taiwan University, Taipei, 106 Taiwan (China); Tsao, Heng-Kwong [Department of Chemical and Materials Engineering, Department of Physics, National Central University, Jhongli, 320 Taiwan (China)

2013-08-14

Superhydrophilic graphite surfaces and water-dispersible graphite colloids are obtained by electrochemical exfoliation with hydrophobic graphite electrodes. Such counterintuitive characteristics are caused by partial oxidation and investigated by examining both graphite electrodes and exfoliated particles after electrolysis. The extent of surface oxidation can be explored through contact angle measurement, scanning electron microscope, electrical sheet resistance, x-ray photoelectron spectroscopy, zeta-potential analyzer, thermogravimetric analysis, UV-visible, and Raman spectroscopy. The degree of wettability of the graphite anode can be altered by the electrolytic current and time. The water contact angle declines generally with increasing the electrolytic current or time. After a sufficient time, the graphite anode becomes superhydrophilic and its hydrophobicity can be recovered by peeling with adhesive tape. This consequence reveals that the anodic graphite is oxidized by oxygen bubbles but the oxidation just occurs at the outer layers of the graphite sheet. Moreover, the characteristics of oxidation revealed by UV peak shift, peak ratio between D and G bands, and negative zeta-potential indicate the presence of graphite oxide on the outer shell of the exfoliated colloids. However, thermogravimetric analysis for the extent of decomposition of oxygen functional groups verifies that the amount of oxygen groups is significantly less than that of graphite oxide prepared via Hummer method. The structure of this partially oxidized graphite may consist of a graphite core covered with an oxidized shell. The properties of the exfoliated colloids are also influenced by pH of the electrolytic solution. As pH is increased, the extent of oxidation descends and the thickness of oxidized shell decreases. Those results reveal that the degree of oxidation of exfoliated nanoparticles can be manipulated simply by controlling pH.

Synthesis and Photophysical Properties of Novel Fullerene Derivatives as Model Compounds for Bulk-Heterojunction PV Cells

NARCIS (Netherlands)

Hal, P.A. van; Langeveld-Voss, B.M.W.; Peeters, E.; Janssen, R.A.J.; Knol, J.; Hummelen, J.C.

2000-01-01

Covalent and well-defined oligomer-fullerene donor-acceptor molecular structures can serve as important model systems for plastic PV cells, based on interpenetrating networks of conjugated polymers and fullerene derivatives. Two series of [60]fullerene-oligomer dyads and triads were prepared and

Interaction between fullerene halves C{sub n} (n ≤ 40) and single wall carbon nanotube

Energy Technology Data Exchange (ETDEWEB)

Sharma, Amrish, E-mail: amrish99@gmail.com; Kaur, Sandeep, E-mail: sipusukhn@gmail.com [Department of Physics, Punjabi University, Patiala (India); Mudahar, Isha, E-mail: isha@pbi.ac.in [Department of Basic and Applied Sciences, Punjabi University, Patiala (India)

2016-05-06

We have investigated the structural and electronic properties of carbon nanotube with small fullerene halves C{sub n} (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.

Current Analysis and Modeling of Fullerene Single-Electron Transistor at Room Temperature

Science.gov (United States)

Khadem Hosseini, Vahideh; Ahmadi, Mohammad Taghi; Afrang, Saeid; Ismail, Razali

2017-07-01

Single-electron transistors (SETs) are interesting electronic devices that have become key elements in modern nanoelectronic systems. SETs operate quickly because they use individual electrons, with the number transferred playing a key role in their switching behavior. However, rapid transmission of electrons can cause their accumulation at the island, affecting the I- V characteristic. Selection of fullerene as a nanoscale zero-dimensional material with high stability, and controllable size in the fabrication process, can overcome this charge accumulation issue and improve the reliability of SETs. Herein, the current in a fullerene SET is modeled and compared with experimental data for a silicon SET. Furthermore, a weaker Coulomb staircase and improved reliability are reported. Moreover, the applied gate voltage and fullerene diameter are found to be directly associated with the I- V curve, enabling the desired current to be achieved by controlling the fullerene diameter.

Contrasting behavior of covalent and molecular carbon allotropes exposed to extreme ultraviolet and soft x-ray free-electron laser radiation

Science.gov (United States)

Toufarová, M.; Hájková, V.; Chalupský, J.; Burian, T.; Vacík, J.; Vorlíček, V.; Vyšín, L.; Gaudin, J.; Medvedev, N.; Ziaja, B.; Nagasono, M.; Yabashi, M.; Sobierajski, R.; Krzywinski, J.; Sinn, H.; Störmer, M.; Koláček, K.; Tiedtke, K.; Toleikis, S.; Juha, L.

2017-12-01

All carbon materials, e.g., amorphous carbon (a-C) coatings and C60 fullerene thin films, play an important role in short-wavelength free-electron laser (FEL) research motivated by FEL optics development and prospective nanotechnology applications. Responses of a-C and C60 layers to the extreme ultraviolet (SPring-8 Compact SASE Source in Japan) and soft x-ray (free-electron laser in Hamburg) free-electron laser radiation are investigated by Raman spectroscopy, differential interference contrast, and atomic force microscopy. A remarkable difference in the behavior of covalent (a-C) and molecular (C60) carbonaceous solids is demonstrated under these irradiation conditions. Low thresholds for ablation of a fullerene crystal (estimated to be around 0.15 eV/atom for C60 vs 0.9 eV/atom for a-C in terms of the absorbed dose) are caused by a low cohesive energy of fullerene crystals. An efficient mechanism of the removal of intact C60 molecules from the irradiated crystal due to Coulomb repulsion of fullerene-cage cation radicals formed by the ionizing radiation is revealed by a detailed modeling.

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.

Thermally exfoliated graphite oxide

Science.gov (United States)

Prud'Homme, Robert K. (Inventor); Aksay, Ilhan A. (Inventor); Abdala, Ahmed (Inventor)

2011-01-01

A modified graphite oxide material contains a thermally exfoliated graphite oxide with a surface area of from about 300 sq m/g to 2600 sq m/g, wherein the thermally exfoliated graphite oxide displays no signature of the original graphite and/or graphite oxide, as determined by X-ray diffraction.

Pyrrolidinium fullerene induces apoptosis by activation of procaspase-9 via suppression of Akt in primary effusion lymphoma

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Tadashi [Department of Cell Biology, Kyoto Pharmaceutical University, Misasagi-Shichonocho 1, Yamashinaku, Kyoto 607-8412 (Japan); Nakamura, Shigeo [Department of Chemistry, Nippon Medical School, 1-7-1 Kyonan-cho, Musashino, Tokyo 180-0023 (Japan); Ono, Toshiya; Ui, Sadaharu [Department of Biotechnology, Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, Kofu 400-8511 (Japan); Yagi, Syota; Kagawa, Hiroki [Department of Cell Biology, Kyoto Pharmaceutical University, Misasagi-Shichonocho 1, Yamashinaku, Kyoto 607-8412 (Japan); Watanabe, Hisami [Center of Molecular Biosciences, Tropical Biosphere Research Center, University of the Ryukyus, 1 Senbaru, Nishihara-cho, Okinawa 903-0213 (Japan); Ohe, Tomoyuki; Mashino, Tadahiko [Department of Pharmaceutical Sciences, Faculty of Pharmacy, Keio University, 1-5-30 Shibakoen, Minato-ku, Tokyo 105-8512 (Japan); Fujimuro, Masahiro, E-mail: fuji2@mb.kyoto-phu.ac.jp [Department of Cell Biology, Kyoto Pharmaceutical University, Misasagi-Shichonocho 1, Yamashinaku, Kyoto 607-8412 (Japan)

2014-08-15

Highlights: • Seven fullerenes were evaluated in terms of their cytotoxic effects on B-lymphomas. • Pyrrolidinium fullerene induced apoptosis of KSHV-infected B-lymphoma PEL cells. • The activation of Akt is essential for PEL cell survival. • Pyrrolidinium fullerene activated caspase-9 by inactivating Akt in PEL cells. • Pyrrolidinium fullerene have potential as novel drugs for the treatment of PEL. - Abstract: Primary effusion lymphoma (PEL) is a subtype of non-Hodgkin’s B-cell lymphoma and is an aggressive neoplasm caused by Kaposi’s sarcoma-associated herpesvirus (KSHV) in immunosuppressed patients. In general, PEL cells are derived from post-germinal center B-cells and are infected with KSHV. To evaluate potential novel anti-tumor compounds against KSHV-associated PEL, seven water-soluble fullerene derivatives were evaluated as potential drug candidates for the treatment of PEL. Herein, we discovered a pyrrolidinium fullerene derivative, 1,1,1′,1′-tetramethyl [60]fullerenodipyrrolidinium diiodide, which induced apoptosis of PEL cells via a novel mechanism, the caspase-9 activation by suppressing the caspase-9 phosphorylation, causing caspase-9 inactivation. Pyrrolidinium fullerene treatment reduced significantly the viability of PEL cells compared with KSHV-uninfected lymphoma cells, and induced the apoptosis of PEL cells by activating caspase-9 via procaspase-9 cleavage. Pyrrolidinium fullerene additionally reduced the Ser473 phosphorylation of Akt and Ser196 of procaspase-9. Ser473-phosphorylated Akt (i.e., activated Akt) phosphorylates Ser196 in procaspase-9, causing inactivation of procaspase-9. We also demonstrated that Akt inhibitors suppressed the proliferation of PEL cells compared with KSHV-uninfected cells. Our data therefore suggest that Akt activation is essential for cell survival in PEL and a pyrrolidinium fullerene derivative induced apoptosis by activating caspase-9 via suppression of Akt in PEL cells. In addition, we evaluated

Pyrrolidinium fullerene induces apoptosis by activation of procaspase-9 via suppression of Akt in primary effusion lymphoma

International Nuclear Information System (INIS)

Watanabe, Tadashi; Nakamura, Shigeo; Ono, Toshiya; Ui, Sadaharu; Yagi, Syota; Kagawa, Hiroki; Watanabe, Hisami; Ohe, Tomoyuki; Mashino, Tadahiko; Fujimuro, Masahiro

2014-01-01

Highlights: • Seven fullerenes were evaluated in terms of their cytotoxic effects on B-lymphomas. • Pyrrolidinium fullerene induced apoptosis of KSHV-infected B-lymphoma PEL cells. • The activation of Akt is essential for PEL cell survival. • Pyrrolidinium fullerene activated caspase-9 by inactivating Akt in PEL cells. • Pyrrolidinium fullerene have potential as novel drugs for the treatment of PEL. - Abstract: Primary effusion lymphoma (PEL) is a subtype of non-Hodgkin’s B-cell lymphoma and is an aggressive neoplasm caused by Kaposi’s sarcoma-associated herpesvirus (KSHV) in immunosuppressed patients. In general, PEL cells are derived from post-germinal center B-cells and are infected with KSHV. To evaluate potential novel anti-tumor compounds against KSHV-associated PEL, seven water-soluble fullerene derivatives were evaluated as potential drug candidates for the treatment of PEL. Herein, we discovered a pyrrolidinium fullerene derivative, 1,1,1′,1′-tetramethyl [60]fullerenodipyrrolidinium diiodide, which induced apoptosis of PEL cells via a novel mechanism, the caspase-9 activation by suppressing the caspase-9 phosphorylation, causing caspase-9 inactivation. Pyrrolidinium fullerene treatment reduced significantly the viability of PEL cells compared with KSHV-uninfected lymphoma cells, and induced the apoptosis of PEL cells by activating caspase-9 via procaspase-9 cleavage. Pyrrolidinium fullerene additionally reduced the Ser473 phosphorylation of Akt and Ser196 of procaspase-9. Ser473-phosphorylated Akt (i.e., activated Akt) phosphorylates Ser196 in procaspase-9, causing inactivation of procaspase-9. We also demonstrated that Akt inhibitors suppressed the proliferation of PEL cells compared with KSHV-uninfected cells. Our data therefore suggest that Akt activation is essential for cell survival in PEL and a pyrrolidinium fullerene derivative induced apoptosis by activating caspase-9 via suppression of Akt in PEL cells. In addition, we evaluated

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...

Electrochemical oxidation of sulfites by DWCNTs, MWCNTs, higher fullerenes and manganese

Science.gov (United States)

Uzun, Dzhamal; Pchelarov, George; Dimitrov, Ognian; Vassilev, Sasho; Obretenov, Willi; Petrov, Konstantin

2018-03-01

Different electrocatalysts were tested for oxidation of sulfites to sulfates, namely, manganese thin films deposited on fullerenes and carbon nanotubes. The results presented clearly show that electrodes containing HFs (higher fullerenes), DWCNTs (double-wall carbon nanotubes) and manganese acetate are effective catalysts in S/O2 fuel cells. HFs and DWCNTs have high catalytic activity and can be employed as standalone catalysts. Manganese was deposited on DWCNTs, HFs and fullerenes C60/C70 by a thermal process. The electrocatalysts were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The electrochemical testing was carried out by plotting the E/V polarization curve. The polarization curves of the electrodes composed of pristine DWCNTs showed the lowest overpotentials.

Single-size thermometric measurements on a size distribution of neutral fullerenes.

Science.gov (United States)

Cauchy, C; Bakker, J M; Huismans, Y; Rouzée, A; Redlich, B; van der Meer, A F G; Bordas, C; Vrakking, M J J; Lépine, F

2013-05-10

We present measurements of the velocity distribution of electrons emitted from mass-selected neutral fullerenes, performed at the intracavity free electron laser FELICE. We make use of mass-specific vibrational resonances in the infrared domain to selectively heat up one out of a distribution of several fullerene species. Efficient energy redistribution leads to decay via thermionic emission. Time-resolved electron kinetic energy distributions measured give information on the decay rate of the selected fullerene. This method is generally applicable to all neutral species that exhibit thermionic emission and provides a unique tool to study the stability of mass-selected neutral clusters and molecules that are only available as part of a size distribution.

Investigation of the possibility of functionalization of C20 fullerene by benzene via Diels-Alder reaction

Science.gov (United States)

Siadati, Seyyed Amir; Nami, Navabeh

2016-10-01

C20 fullerene, this novel species with all its pentagonal faces has displayed some unique operations in making fast pericyclic reactions. As an example, the high dienophile character of the C20 fullerene and the ability of this species in making an ultra-fast Diels-Alder reaction with 1,3-butadiene, has been recently reported. Moreover, new experimental reports claim that the C60 fullerene, one of the fullerene family, could make a Diels-Alder reaction with the central ring of anthracene and make the ring non-aromatic. These reports may encourage researchers to do more studies on the properties of this small carbon cage. To address this question, the present research has discussed all the reaction channels of the Diels-Alder cycloaddition of benzene molecule as a 1,3-diene with the C20 fullerene in order to answer this question: ;Is C20fullerene able to make a Diels-Alder reaction with this molecule?;.

C(60 fullerene prevents genotoxic effects of doxorubicin in human lymphocytes in vitro

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K. S. Afanasieva

2015-02-01

Full Text Available The self-ordering of C60 fullerene, doxorubicin and their mixture precipitated from aqueous solutions was investigated using atomic-force microscopy. The results suggest the complexation between the two compounds. The genotoxicity of doxorubicin in complex with C60 fullerene (С60+Dox was evaluated in vitro with comet assay using human lymphocytes. The obtained results show that the C60 fullerene prevents the toxic effect of Dox in normal cells and, thus, С60+Dox complex might be proposed for biomedical application.

Potentiometric Urea Biosensor Based on an Immobilised Fullerene-Urease Bio-Conjugate

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Kasra Saeedfar

2013-12-01

Full Text Available 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 ionophore. This pH-selective membrane is intended to function as a potentiometric urea biosensor with the deposition of C60-urease on the PnBA membrane. Various parameters for fullerene modification and urease immobilization were investigated. The optimal pH and concentration of the phosphate buffer for the urea biosensor were 7.0 and 0.5 mM, respectively. The linear response range of the biosensor was from 2.31 × 10−3 M to 8.28 × 10−5 M. The biosensor’s sensitivity was 59.67 ± 0.91 mV/decade, which is close to the theoretical value. Common cations such as Na+, K+, Ca2+, Mg2+ and NH4+ showed no obvious interference with the urea biosensor’s response. The use of a fullerene-urease bio-conjugate and an acrylic membrane with good adhesion prevented the leaching of urease enzyme and thus increased the stability of the urea biosensor for up to 140 days.

Thiamakrocykly pro komplexaci fullerenů

Czech Academy of Sciences Publication Activity Database

Holý, Petr; Buchta, Michal; Rybáček, Jiří; Závada, Jiří

2009-01-01

Roč. 5, č. 9 (2009), s. 186-187 ISSN 1336-7242. [Zjazd chemikov /61./. 07.09.2009-11.09.2009, Tatranské Matliare] R&D Projects: GA AV ČR IAA400550704 Institutional research plan: CEZ:AV0Z40550506 Keywords : makrocycles * alkylation * fullerene s Subject RIV: CC - Organic Chemistry

Boron hydride analogues of the fullerenes

International Nuclear Information System (INIS)

Quong, A.A.; Pederson, M.R.; Broughton, J.Q.

1994-01-01

The BH moiety is isoelectronic with C. We have studied the stability of the (BH) 60 analogue of the C 60 fullerene as well as the dual-structure (BH) 32 icosahedron, both of them being putative structures, by performing local-density-functional electronic calculations. To aid in our analysis, we have also studied other homologues of these systems. We find that the latter, i.e., the dual structure, is the more stable although the former is as stable as one of the latter's lower homologues. Boron hydrides, it seems, naturally form the dual structures used in algorithmic optimization of complex fullerene systems. Fully relaxed geometries are reported as well as electron affinities and effective Hubbard U parameters. These systems form very stable anions and we conclude that a search for BH analogues of the C 60 alkali-metal supeconductors might prove very fruitful

Fulereno[C60]: química e aplicações Fullerene C60: chemistry and applications

Directory of Open Access Journals (Sweden)

Leandro José dos Santos

2010-01-01

Full Text Available Fullerene chemistry has become a very active research field in the two last decades, largely because of the exceptional properties of the C60 molecule and the variety of fullerene derivatives that appear to be possible. In this review, a general analysis of fullerene C60 reactivity is performed. The principal methods for the covalent modification of this fascinating carbon cage are presented. The prospects of using fullerene derivatives as medicinal drugs and photoactive materials in light converting devices are demonstrated.

Characterizing the Polymer:Fullerene Intermolecular Interactions

KAUST Repository

Sweetnam, Sean; Vandewal, Koen; Cho, Eunkyung; Risko, Chad; Coropceanu, Veaceslav; Salleo, Alberto; Bredas, Jean-Luc; McGehee, Michael D.

2016-01-01

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

Environmentally benign graphite intercalation compound composition for exfoliated graphite, flexible graphite, and nano-scaled graphene platelets

Science.gov (United States)

Zhamu, Aruna; Jang, Bor Z.

2014-06-17

A carboxylic-intercalated graphite compound composition for the production of exfoliated graphite, flexible graphite, or nano-scaled graphene platelets. The composition comprises a layered graphite with interlayer spaces or interstices and a carboxylic acid residing in at least one of the interstices, wherein the composition is prepared by a chemical oxidation reaction which uses a combination of a carboxylic acid and hydrogen peroxide as an intercalate source. Alternatively, the composition may be prepared by an electrochemical reaction, which uses a carboxylic acid as both an electrolyte and an intercalate source. Exfoliation of the invented composition does not release undesirable chemical contaminants into air or drainage.

Effect of linear alcohol molecular size on the self-assembly of fullerene whiskers

International Nuclear Information System (INIS)

Amer, Maher S.; Todd, T. Kyle; Busbee, John D.

2011-01-01

Highlights: → The longer the alcohol molecule, the shorter the length of the assembled whisker. → Interaction between alcohol and fullerene solvent is the key factor. → The stronger the alcohol/solvent interaction, the longer the whisker. - Abstract: The recent development of self-assembled fullerene whiskers and wires has created an enormous potential and resolved a serious challenge for utilizing such unique class of carbon material in advanced nano-scale, molecular-based electronic, optical, and thermal devices. In this paper we investigate, the self-assembly of C 60 molecules into one-dimensional whiskers using a series of linear alcohols H(CH 2 ) n OH, with n changing from 1 (methanol) to 3 (isopropyl alcohol), to elucidate the effect of alcohol molecular size on the size distribution of the self-assemble fullerene whiskers. Our results show that the length of the produced fullerene whiskers is affected by the molecular size of the alcohol used in the process. The crucial role played by solvent/alcohol interaction in the assembly process is discussed. In addition, Raman spectroscopy measurements support the notion that the self-assembled whiskers are primarily held by depletion forces and no evidence of fullerene polymerization was observed.

Synthesis and characterization of electrochemically-reduced graphene

Indian Academy of Sciences (India)

Graphene has superior electrical conductivity than graphite and other allotropes of carbon because of its high surface area and chemical tolerance. Electrochemically processed graphene sheets were obtained through the reduction of graphene oxide from hydrazine hydrate. The prepared samples were heated to different ...

Effect of Peierls transition in armchair carbon nanotube on dynamical behaviour of encapsulated fullerene

Directory of Open Access Journals (Sweden)

Hieu Nguyen

2011-01-01

Full Text Available Abstract The changes of dynamical behaviour of a single fullerene molecule inside an armchair carbon nanotube caused by the structural Peierls transition in the nanotube are considered. The structures of the smallest C20 and Fe@C20 fullerenes are computed using the spin-polarized density functional theory. Significant changes of the barriers for motion along the nanotube axis and rotation of these fullerenes inside the (8,8 nanotube are found at the Peierls transition. It is shown that the coefficients of translational and rotational diffusions of these fullerenes inside the nanotube change by several orders of magnitude. The possibility of inverse orientational melting, i.e. with a decrease of temperature, for the systems under consideration is predicted.

Electron transport in doped fullerene molecular junctions

Science.gov (United States)

Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

The effect of doping on the electron transport of molecular junctions is analyzed in this paper. The doped fullerene molecules are stringed to two semi-infinite gold electrodes and analyzed at equilibrium and nonequilibrium conditions of these device configurations. The contemplation is done using nonequilibrium Green’s function (NEGF)-density functional theory (DFT) to evaluate its density of states (DOS), transmission coefficient, molecular orbitals, electron density, charge transfer, current, and conductance. We conclude from the elucidated results that Au-C16Li4-Au and Au-C16Ne4-Au devices behave as an ordinary p-n junction diode and a Zener diode, respectively. Moreover, these doped fullerene molecules do not lose their metallic nature when sandwiched between the pair of gold electrodes.

Changes in Agglomeration of Fullerenes During Ingestion and Excretion in Thamnocephalus Platyurus

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 (termed aqu/C60 and aqu/C70) for approximately 100 d. Th...

Production of nuclear graphite in France; Production de graphite nucleaire en France

Energy Technology Data Exchange (ETDEWEB)

Legendre, P; Mondet, L [Societe Pechiney, 74 - Chedde (France); Arragon, Ph; Cornuault, P; Gueron, J; Hering, H [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1955-07-01

The graphite intended for the construction of the reactors is obtained by the usual process: confection of a cake from coke of oil and tar, cooked (in a electric oven) then the product of cook is graphitized, also by electric heating. The use of the air transportation and the control of conditions cooking and graphitization have permitted to increase the nuclear graphite production as well as to better control their physical and mechanical properties and to reduce to the minimum the unwanted stains. (M.B.) [French] Le graphite destine a la construction des reacteurs est obtenu par le procede usuel: confection d'une pate a partir de coke de petrole et de brai, cuisson de cette pate (au four electrique) puis graphitation du produit cuit, egalement par chauffage electrique. L'usage du transport pneumatique et le controle des conditions cuisson et de graphitation ont permit d'augmenter la production de graphite nucleaire ainsi que de mieux controler ses proprietes physiques et mecaniques et de reduire au minimum les souillures accidentelles. (M.B.)

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.

Co-exposure with fullerene may strengthen health effects of organic industrial chemicals.

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Maili Lehto

Full Text Available In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C60 and organic chemicals represent different co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C60 that is more cytotoxic than benzaldehyde alone, and for a filtered mixture of m-cresol and C60 that is slightly less cytotoxic than m-cresol. Hydrophobicity of chemicals correlates with co-effects when secretion of pro-inflammatory cytokines IL-1β and TNF-α is considered. Complementary atomistic molecular dynamics simulations reveal that C60 co-aggregates with all chemicals in aqueous environment. Stable aggregates have a fullerene-rich core and a chemical-rich surface layer, and while essentially all C60 molecules aggregate together, a portion of organic molecules remains in water.

Fullerene C{sub 70} decorated TiO{sub 2} nanowires for visible-light-responsive photocatalyst

Energy Technology Data Exchange (ETDEWEB)

Cho, Er-Chieh [Department of Clinical Pharmacy, School of Pharmacy, College of Pharmacy, Taipei Medical University, Taipei 110, Taiwan (China); Ciou, Jing-Hao [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, Kaohsiung 80708, Taiwan (China); Zheng, Jia-Huei; Pan, Job [Department of Clinical Pharmacy, School of Pharmacy, College of Pharmacy, Taipei Medical University, Taipei 110, Taiwan (China); Hsiao, Yu-Sheng, E-mail: yshsiao@mail.mcut.edu.tw [Department of Materials Engineering, Ming Chi University of Technology, New Taipei City 24301, Taiwan (China); Lee, Kuen-Chan, E-mail: kclee@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, Kaohsiung 80708, Taiwan (China); Huang, Jen-Hsien, E-mail: 295604@cpc.com.tw [Department of Green Material Technology, Green Technology Research Institute, CPC Corporation, Kaohsiung 30010, Taiwan (China)

2015-11-15

Graphical abstract: - Highlights: • TiO{sub 2} nanowire decorated with C{sub 60} and C{sub 70} derivatives has been synthesized. • The fullerenes impede the charge recombination due to its high electron affinity. • The fullerenes expand the utilization of solar light from UV to visible light. • The modified-TiO{sub 2} has great biocompatibility. - Abstract: In this study, we have synthesized C{sub 60} and C{sub 70}-modified TiO{sub 2} nanowire (NW) through interfacial chemical bonding. The results indicate that the fullerenes (C{sub 60} and C{sub 70} derivatives) can act as sinks for photogenerated electrons in TiO{sub 2}, while the fullerene/TiO{sub 2} is illuminated under ultraviolet (UV) light. Therefore, in comparison to the pure TiO{sub 2} NWs, the modified TiO{sub 2} NWs display a higher photocatalytic activity under UV irradiation. Moreover, the fullerenes also can function as a sensitizer to TiO{sub 2} which expand the utilization of solar light from UV to visible light. The results reveal that the C{sub 70}/TiO{sub 2} NWs show a significant photocatalytic activity for degradation of methylene blue (MB) in visible light region. To better understand the mechanism responsible for the effect of fullerenes on the photocatalytic properties of TiO{sub 2}, the electron only devices and photoelectrochemical cells based on fullerenes/TiO{sub 2} are also fabricated and evaluated.

Aggregation behavior of fullerenes in aqueous solutions: a capillary electrophoresis and asymmetric flow field-flow fractionation study

NARCIS (Netherlands)

Astefanei, A.; Núñez, O.; Galceran, M.T.; Kok, W.Th.; Schoenmakers, P.J.

2015-01-01

In this work, the electrophoretic behavior of hydrophobic fullerenes [buckminsterfullerene (C-60), C-70, and N-methyl-fulleropyrrolidine (C-60-pyrr)] and water-soluble fullerenes [fullerol (C-60(OH)(24)); polyhydroxy small gap fullerene, hydrated (C-120(OH)(30)); C-60 pyrrolidine tris acid

Growth and Potential Damage of Human Bone-Derived Cells on Fresh and Aged Fullerene C60 Films

Directory of Open Access Journals (Sweden)

Jiri Vacik

2013-04-01

Full Text Available Fullerenes are nanoparticles composed of carbon atoms arranged in a spherical hollow cage-like structure. Numerous studies have evaluated the therapeutic potential of fullerene derivates against oxidative stress-associated conditions, including the prevention or treatment of arthritis. On the other hand, fullerenes are not only able to quench, but also to generate harmful reactive oxygen species. The reactivity of fullerenes may change in time due to the oxidation and polymerization of fullerenes in an air atmosphere. In this study, we therefore tested the dependence between the age of fullerene films (from one week to one year and the proliferation, viability and metabolic activity of human osteosarcoma cells (lines MG-63 and U-2 OS. We also monitored potential membrane and DNA damage and morphological changes of the cells. After seven days of cultivation, we did not observe any cytotoxic morphological changes, such as enlarged cells or cytosolic vacuole formation. Furthermore, there was no increased level of DNA damage. The increasing age of the fullerene films did not cause enhancement of cytotoxicity. On the contrary, it resulted in an improvement in the properties of these materials, which are more suitable for cell cultivation. Therefore, fullerene films could be considered as a promising material with potential use as a bioactive coating of cell carriers for bone tissue engineering.

Growth and potential damage of human bone-derived cells on fresh and aged fullerene c60 films.

Science.gov (United States)

Kopova, Ivana; Bacakova, Lucie; Lavrentiev, Vasily; Vacik, Jiri

2013-04-26

Fullerenes are nanoparticles composed of carbon atoms arranged in a spherical hollow cage-like structure. Numerous studies have evaluated the therapeutic potential of fullerene derivates against oxidative stress-associated conditions, including the prevention or treatment of arthritis. On the other hand, fullerenes are not only able to quench, but also to generate harmful reactive oxygen species. The reactivity of fullerenes may change in time due to the oxidation and polymerization of fullerenes in an air atmosphere. In this study, we therefore tested the dependence between the age of fullerene films (from one week to one year) and the proliferation, viability and metabolic activity of human osteosarcoma cells (lines MG-63 and U-2 OS). We also monitored potential membrane and DNA damage and morphological changes of the cells. After seven days of cultivation, we did not observe any cytotoxic morphological changes, such as enlarged cells or cytosolic vacuole formation. Furthermore, there was no increased level of DNA damage. The increasing age of the fullerene films did not cause enhancement of cytotoxicity. On the contrary, it resulted in an improvement in the properties of these materials, which are more suitable for cell cultivation. Therefore, fullerene films could be considered as a promising material with potential use as a bioactive coating of cell carriers for bone tissue engineering.

Machine Phase Fullerene Nanotechnology: 1996

Science.gov (United States)

Globus, Al; Chancellor, Marisa K. (Technical Monitor)

1997-01-01

NASA has used exotic materials for spacecraft and experimental aircraft to good effect for many decades. In spite of many advances, transportation to space still costs about $10,000 per pound. Drexler has proposed a hypothetical nanotechnology based on diamond and investigated the properties of such molecular systems. These studies and others suggest enormous potential for aerospace systems. Unfortunately, methods to realize diamonoid nanotechnology are at best highly speculative. Recent computational efforts at NASA Ames Research Center and computation and experiment elsewhere suggest that a nanotechnology of machine phase functionalized fullerenes may be synthetically relatively accessible and of great aerospace interest. Machine phase materials are (hypothetical) materials consisting entirely or in large part of microscopic machines. In a sense, most living matter fits this definition. To begin investigation of fullerene nanotechnology, we used molecular dynamics to study the properties of carbon nanotube based gears and gear/shaft configurations. Experiments on C60 and quantum calculations suggest that benzyne may react with carbon nanotubes to form gear teeth. Han has computationally demonstrated that molecular gears fashioned from (14,0) single-walled carbon nanotubes and benzyne teeth should operate well at 50-100 gigahertz. Results suggest that rotation can be converted to rotating or linear motion, and linear motion may be converted into rotation. Preliminary results suggest that these mechanical systems can be cooled by a helium atmosphere. Furthermore, Deepak has successfully simulated using helical electric fields generated by a laser to power fullerene gears once a positive and negative charge have been added to form a dipole. Even with mechanical motion, cooling, and power; creating a viable nanotechnology requires support structures, computer control, a system architecture, a variety of components, and some approach to manufacture. Additional

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

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 changed a little by C60. In our study Try and Tyr were hardly adsorbed by C60 and FNWs. These amino 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.

2D-QSAR study of fullerene nanostructure derivatives as potent HIV-1 protease inhibitors

Science.gov (United States)

Barzegar, Abolfazl; Jafari Mousavi, Somaye; Hamidi, Hossein; Sadeghi, Mehdi

2017-09-01

The protease of human immunodeficiency virus1 (HIV-PR) is an essential enzyme for antiviral treatments. Carbon nanostructures of fullerene derivatives, have nanoscale dimension with a diameter comparable to the diameter of the active site of HIV-PR which would in turn inhibit HIV. In this research, two dimensional quantitative structure-activity relationships (2D-QSAR) of fullerene derivatives against HIV-PR activity were employed as a powerful tool for elucidation the relationships between structure and experimental observations. QSAR study of 49 fullerene derivatives was performed by employing stepwise-MLR, GAPLS-MLR, and PCA-MLR models for variable (descriptor) selection and model construction. QSAR models were obtained with higher ability to predict the activity of the fullerene derivatives against HIV-PR by a correlation coefficient (R2training) of 0.942, 0.89, and 0.87 as well as R2test values of 0.791, 0.67and 0.674 for stepwise-MLR, GAPLS-MLR, and PCA -MLR models, respectively. Leave-one-out cross-validated correlation coefficient (R2CV) and Y-randomization methods confirmed the models robustness. The descriptors indicated that the HIV-PR inhibition depends on the van der Waals volumes, polarizability, bond order between two atoms and electronegativities of fullerenes derivatives. 2D-QSAR simulation without needing receptor's active site geometry, resulted in useful descriptors mainly denoting ;C60 backbone-functional groups; and ;C60 functional groups; properties. Both properties in fullerene refer to the ligand fitness and improvement van der Waals interactions with HIV-PR active site. Therefore, the QSAR models can be used in the search for novel HIV-PR inhibitors based on fullerene derivatives.

On the continuous spectrum electromagnetic radiation in electron-fullerene collision

International Nuclear Information System (INIS)

Amusia, M.Y.

1995-01-01

It is demonstrated that the electromagnetic radiation spectrum in electron-fullerene collisions is dominated by a huge maximum of multielectron nature, similar to that already predicted and observed in photoabsorption. Due to coherence, the intensity of this radiation is much stronger than the sum of the intensities of isolated atoms. Experimental detection of such radiation would be of great importance for understanding the mechanism of its formation and for investigating fullerene structures. A paper describing these results was published

Excimer-laser-induced permanent electrical conductivity in solid C60 films

International Nuclear Information System (INIS)

Ning, D.; Lou, Q.H.; Dong, J.X.; Wei, Y.R.

1996-01-01

After being irradiated in air by a XeCl (308 nm) excimer laser, the electrical conductivity of solid thin-film C 60 has been improved by more than six orders of magnitudes. The products resulting from laser irradiation of C 60 films have been investigated by Raman scattering and the onset of conductivity can be attributed to laser-induced oxygenation and disintegration of the fullerene. Irradiated by ∼40 ns laser pulses with different fluence, products with different microstructure were observed. At lower fluence, the Raman features of microcrystalline graphite and fullerene polymer were observed. At a fluence just below the ablation threshold (36 mJ/cm 2 ), the fullerene molecules in the film were disintegrated completely and transformed to amorphous graphite. (orig.). With 5 figs

Analysis of Co-Tunneling Current in Fullerene Single-Electron Transistor

Science.gov (United States)

KhademHosseini, Vahideh; Dideban, Daryoosh; Ahmadi, MohammadTaghi; Ismail, Razali

2018-05-01

Single-electron transistors (SETs) are nano devices which can be used in low-power electronic systems. They operate based on coulomb blockade effect. This phenomenon controls single-electron tunneling and it switches the current in SET. On the other hand, co-tunneling process increases leakage current, so it reduces main current and reliability of SET. Due to co-tunneling phenomenon, main characteristics of fullerene SET with multiple islands are modelled in this research. Its performance is compared with silicon SET and consequently, research result reports that fullerene SET has lower leakage current and higher reliability than silicon counterpart. Based on the presented model, lower co-tunneling current is achieved by selection of fullerene as SET island material which leads to smaller value of the leakage current. Moreover, island length and the number of islands can affect on co-tunneling and then they tune the current flow in SET.

Oxidation Resistant Graphite Studies

Energy Technology Data Exchange (ETDEWEB)

W. Windes; R. Smith

2014-07-01

The Very High Temperature Reactor (VHTR) Graphite Research and Development Program is investigating doped nuclear graphite grades exhibiting oxidation resistance. During a oxygen ingress accident the oxidation rates of the high temperature graphite core region would be extremely high resulting in significant structural damage to the core. Reducing the oxidation rate of the graphite core material would reduce the structural effects and keep the core integrity intact during any air-ingress accident. Oxidation testing of graphite doped with oxidation resistant material is being conducted to determine the extent of oxidation rate reduction. Nuclear grade graphite doped with varying levels of Boron-Carbide (B4C) was oxidized in air at nominal 740°C at 10/90% (air/He) and 100% air. The oxidation rates of the boronated and unboronated graphite grade were compared. With increasing boron-carbide content (up to 6 vol%) the oxidation rate was observed to have a 20 fold reduction from unboronated graphite. Visual inspection and uniformity of oxidation across the surface of the specimens were conducted. Future work to determine the remaining mechanical strength as well as graphite grades with SiC doped material are discussed.

Polymer-fullerene bulk heterojunction solar cells

NARCIS (Netherlands)

Janssen, RAJ; Hummelen, JC; Saricifti, NS

Nanostructured phase-separated blends, or bulk heterojunctions, of conjugated Polymers and fullerene derivatives form a very attractive approach to large-area, solid-state organic solar cells.The key feature of these cells is that they combine easy, processing from solution on a variety of

Fullerenes and nanostructured plastic solar cells

NARCIS (Netherlands)

Knol, Joop; Hummelen, Jan C.; Kuzmany, H; Fink, J; Mehring, M; Roth, S

1998-01-01

We report on the present on the present status of the plastic solar cell and on the design of fullerene derivatives and pi-conjugated donor molecules that can function as acceptor-donor pairs and (supra-) molecular building blocks in organized, nanostructured interpenetrating networks, forming a

Electronic stopping in ion-fullerene collisions

NARCIS (Netherlands)

Schlathölter, T.A.; Hadjar, O.; Hoekstra, R.A.; Morgenstern, R.W.H.

The electronic friction experienced by a multiply charged ion interacting with the valence electrons of a single fullerene is an important aspect of the collision dynamics. It manifests itself in a considerable loss of projectile kinetic energy transferred to the target, resulting in excitation. The

Photophysical and photochemical investigations of fullerene presence in amorphous hydrogenated carbon films

Science.gov (United States)

Chen, J. Q.; Meeker, D. L.; Barashkov, N. N.

1997-07-01

The plasma-enhanced chemical vapor deposition system was used to grow amorphous hydrogenated carbon films deposited on silicon substrates. Extracts of the films were obtained by treatment with boiling cyclohexane solvent. The absorption spectra of these extracts showed the existence of small quantities of fullerenes. Using the molar extinction coefficient of C60 in cyclohexane, the mass of fullerenes in the films was estimated to be about 0.019 mg. C60 induced fluorescence quenching of anthracene was also observed. Additional evidence for the presence of fullerenes was based on their capability to accelerate the photo-oxidation of anthracene through the generation of singlet oxygen with a high quantum yield under ultraviolet irradiation.

EEL Calculations and Measurements of Graphite and Graphitic-CNx Core-Losses

International Nuclear Information System (INIS)

Seepujak, A; Bangert, U; Harvey, A J; Blank, V D; Kulnitskiy, B A; Batov, D V

2006-01-01

Core EEL spectra of MWCNTs (multi-wall carbon nanotubes) grown in a nitrogen atmosphere were acquired utilising a dedicated STEM equipped with a Gatan Enfina system. Splitting of the carbon K-edge π* resonance into two peaks provided evidence of two nondegenerate carbon bonding states. In order to confirm the presence of a CN x bonding state, a full-potential linearised augmented plane-wave method was utilised to simulate core EEL spectra of graphite and graphitic-CN x compounds. The simulations confirmed splitting of the carbon K-edge π* resonance in graphitic-CN x materials, with the pristine graphite π* resonance remaining unsplit. The simulations also confirmed the increasing degree of amorphicity with higher concentrations (25%) of substitutional nitrogen in graphite

Chironomus riparius exposure to fullerene-contaminated sediment results in oxidative stress and may impact life cycle parameters

International Nuclear Information System (INIS)

Waissi, G.C.; Bold, S.; Pakarinen, K.; Akkanen, J.; Leppänen, M.T.; Petersen, E.J.; Kukkonen, J.V.K.

2017-01-01

Highlights: • FullerenesC_6_0 were tested to C. riparius with acute and chronic exposures. • The rapid uptake of fullerenes by C. riparius observed after an acute experiment. • Oxidative stress was localized in tissues under microvilli layer. - Abstract: A key component of understanding the potential environmental risks of fullerenes (C_6_0) is their potential effects on benthic invertebrates. Using the sediment dwelling invertebrate Chironomus riparius we explored the effects of acute (12 h and 24 h) and chronic (10 d, 15 d, and 28 d) exposures of sediment associated fullerenes. The aims of this study were to assess the impact of exposure to C_6_0 in the sediment top layer ((0.025, 0.18 and 0.48) C_6_0 mg/cm"2) on larval growth, oxidative stress and emergence rates and to quantify larval body burdens in similarly exposed organisms. Oxidative stress localization was observed in the tissues next to the microvilli and exoskeleton through a method for identifying oxidative stress reactions generated by reactive oxygen species. Rapid intake of fullerenes was shown in acute experiments, whereas body residues decreased after chronic exposure. Transmission electron microscopy analysis revealed oxidative damage and structural changes in cells located between the lipid droplets and next to the microvilli layer in fullerene exposed samples. Fullerene associated sediments also caused changes in the emergence rate of males and females, suggesting that the cellular interactions described above or other effects from the fullerenes may influence reproduction rates.

Synthesis of Polythiophene–Fullerene Hybrid Additives as Potential Compatibilizers of BHJ Active Layers

Directory of Open Access Journals (Sweden)

Sofia Kakogianni

2016-12-01

Full Text Available Perfluorophenyl functionalities have been introduced as side chain substituents onto regioregular poly(3-hexyl thiophene (rr-P3HT, under various percentages. These functional groups were then converted to azides which were used to create polymeric hybrid materials with fullerene species, either C60 or C70. The P3HT–fullerene hybrids thus formed were thereafter evaluated as potential compatibilizers of BHJ active layers comprising P3HT and fullerene based acceptors. Therefore, a systematic investigation of the optical and morphological properties of the purified polymer–fullerene hybrid materials was performed, via different complementary techniques. Additionally, P3HT:PC70BM blends containing various percentages of the herein synthesized hybrid material comprising rr-P3HT and C70 were investigated via Transmission Electron Microscopy (TEM in an effort to understand the effect of the hybrids as additives on the morphology and nanophase separation of this typically used active layer blend for OPVs.

Nuclear graphite ageing and turnaround

International Nuclear Information System (INIS)

Marsden, B.J.; Hall, G.N.; Smart, J.

2001-01-01

Graphite moderated reactors are being operated in many countries including, the UK, Russia, Lithuania, Ukraine and Japan. Many of these reactors will operate well into the next century. New designs of High Temperature Graphite Moderated Reactors (HTRS) are being built in China and Japan. The design life of these graphite-moderated reactors is governed by the ageing of the graphite core due to fast neutron damage, and also, in the case of carbon dioxide cooled reactors by the rate of oxidation of the graphite. Nuclear graphites are polycrystalline in nature and it is the irradiation-induced damage to the individual graphite crystals that determines the material property changes with age. The life of a graphite component in a nuclear reactor can be related to the graphite irradiation induced dimensional changes. Graphites typically shrink with age, until a point is reached where the shrinkage stops and the graphite starts to swell. This change from shrinkage to swelling is known as ''turnaround''. It is well known that pre-oxidising graphite specimens caused ''turnaround'' to be delayed, thus extending the life of the graphite, and hence the life of the reactor. However, there was no satisfactory explanation of this behaviour. This paper presents a numerical crystal based model of dimensional change in graphite, which explains the delay in ''turnaround'' in the pre-oxidised specimens irradiated in a fast neutron flux, in terms of crystal accommodation and orientation and change in compliance due to radiolytic oxidation. (author)

THERMOOXIDATIVE STABILITY OF JET FUEL WITH FULLERENES AS AN ADDITIVE

Directory of Open Access Journals (Sweden)

С.В. Іванов

2012-10-01

Full Text Available  Heating of fuels in presence of oxygen reduces their thermal-oxidative stability, leads to a solid phase in the form of sludge and tar, which, sedimented at the details of the fuel system, change its characteristics and cause contamination of fuel filters and injectors, spool control sticking, reduce efficiency of heat exchangers. Nanomaterials, performance of which is considerably superior to the natural materials, are the basis for the movement of humanity's progress. Therefore, with a develpoment of technologies it has become necessary to carry out a research of modified additives – fullerens, to improve an oxidative stability of fuels. We have carried out an investigation of thermal-oxidative stability of fuel RT as a function of additive C60 concentration. The results has shown that even 0,043 g/l fullerene addition as an antioxidant, reduces the amount of sediment in the fuel almost by half. Usage of fullerenes for improvement of petroleum products performance properties is a promising area of research.

A Sensitive Gold Nanoplasmonic SERS Quantitative Analysis Method for Sulfate in Serum Using Fullerene as Catalyst

Directory of Open Access Journals (Sweden)

Chongning Li

2018-04-01

Full Text Available Fullerene exhibited strong catalysis of the redox reaction between HAuCl4 and trisodium citrate to form gold nanoplasmon with a strong surface-enhanced Raman scattering (SERS effect at 1615 cm−1 in the presence of Vitoria blue B molecule probes. When fullerene increased, the SERS peak enhanced linearly due to formation of more AuNPs as substrate. Upon addition of Ba2+, Ba2+ ions adsorb on the fullerene surface to inhibit the catalysis of fullerene that caused the SERS peak decreasing. Analyte SO42− combined with Ba2+ to form stable BaSO4 precipitate to release free fullerene that the catalysis recovered, and the SERS intensity increased linearly. Thus, a new SERS quantitative analysis method was established for the detection of sulfate in serum samples, with a linear range of 0.03–3.4 μM.

Diazo compounds in the chemistry of fullerenes

International Nuclear Information System (INIS)

Tuktarov, Airat R; Dzhemilev, Usein M

2010-01-01

Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

Diazo compounds in the chemistry of fullerenes

Science.gov (United States)

Tuktarov, Airat R.; Dzhemilev, Usein M.

2010-09-01

Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

Diazo compounds in the chemistry of fullerenes

Energy Technology Data Exchange (ETDEWEB)

Tuktarov, Airat R; Dzhemilev, Usein M [Institute of Petrochemistry and Catalysis, Russian Academy of Sciences, Ufa (Russian Federation)

2010-09-14

Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

THE EFFECT OF APPLIED STRESS ON THE GRAPHITIZATION OF PYROLYTIC GRAPHITE

Energy Technology Data Exchange (ETDEWEB)

Bragg, R H; Crooks, D D; Fenn, Jr, R W; Hammond, M L

1963-06-15

Metallographic and x-ray diffraction studies were made of the effect of applied stress at high temperature on the structure of pyrolytic graphite (PG). The dominant factor was whether the PG was above or below its graphitization temperature, which, in turn, was not strongly dependent on applied stress. Below the graphitization temperature, the PG showed a high proportion of disordered layers (0.9), a fairly large mean tilt angle (20 deg ) and a small crystailite size (La --150 A). Fracture occurred at low stress and strain and the materiai exhibited a high apparent Young's modulus ( approximates 4 x 10/sup 6/ psi). Above the graphitization temperature, graphitization was considerably enhanced by strain up to about 8%. The disorder parameter was decreased from a zero strain value of 0.3 to 0.l5 with strain, the mean tilt angle was decreased to 4 deg , and a fivefold increase in crystallite size occurred. When the strainenhanced graphitization was complete, the material exhibited a low apparent modulus ( approximates 0.5 x 10/sup 6/ psi) and large plastic strains (>100%) for a constant stress ( approximates 55 ksi). Graphitization was shown to be a spontaneous process that is promoted by breaking cross-links thermally, and the process is furthered by chemical attack and plastic strain. (auth)

Artificial graphites

International Nuclear Information System (INIS)

Maire, J.

1984-01-01

Artificial graphites are obtained by agglomeration of carbon powders with an organic binder, then by carbonisation at 1000 0 C and graphitization at 2800 0 C. After description of the processes and products, we show how the properties of the various materials lead to the various uses. Using graphite enables us to solve some problems, but it is not sufficient to satisfy all the need of the application. New carbonaceous material open application range. Finally, if some products are becoming obsolete, other ones are being developed in new applications [fr

Bridged graphite oxide materials

Science.gov (United States)

Herrera-Alonso, Margarita (Inventor); McAllister, Michael J. (Inventor); Aksay, Ilhan A. (Inventor); Prud'homme, Robert K. (Inventor)

2010-01-01

Bridged graphite oxide material comprising graphite sheets bridged by at least one diamine bridging group. The bridged graphite oxide material may be incorporated in polymer composites or used in adsorption media.

Adsorption of amino acids by fullerenes and fullerene nanowhiskers

International Nuclear Information System (INIS)

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

2015-01-01

We have investigated the adsorption of some amino acids and an oligopeptide by fullerene (C 60 ) and fullerene nanowhiskers (FNWs). C 60 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 C 60 or FNWs. Trp, Phe and Pro, with a cyclic structure, were not adsorbed by them either. The aromatic group of C 60 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 C 60 and FNWs would not prefer the charged carboxyl or amino group. Tri-Ala was adsorbed slightly by the C 60 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 C 60 and FNWs. We compared our results with the theoretical interaction of 20 bio-amino acids with C 60 . The theoretical simulations showed the bonding distance between C 60 and an amino acid and the dissociation energy. The dissociation energy was shown to increase in the order, Val < Phe < Pro < Asp < Ala < Trp < Tyr < Arg < Leu. However, the simulation was not consistent with our experimental results. The adsorption of albumin (a protein) by C 60 showed the effect on the side chains of Try and Trp. The structure of albumin was changed a little by C 60 . In our study Try and Tyr were hardly adsorbed by C 60 and FNWs. These amino 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. (paper)

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.

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

KAUST Repository

Hoke, Eric T.; Vandewal, Koen; Bartelt, Jonathan A.; Mateker, William R.; Douglas, Jessica D.; Noriega, Rodrigo; Graham, Kenneth; Frechet, Jean; Salleo, Alberto; McGehee, Michael D.

2012-01-01

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.

Photophysical and photochemical investigations of fullerene presence in amorphous hydrogenated carbon films

Energy Technology Data Exchange (ETDEWEB)

Chen, J.Q.; Meeker, D.L. [The Physics Program, University of Texas at Dallas, Richardson, Texas 75083 (United States); Barashkov, N.N. [Department of Chemistry, University of Texas at Dallas, Richardson, Texas 75083 (United States)

1997-07-01

The plasma-enhanced chemical vapor deposition system was used to grow amorphous hydrogenated carbon films deposited on silicon substrates. Extracts of the films were obtained by treatment with boiling cyclohexane solvent. The absorption spectra of these extracts showed the existence of small quantities of fullerenes. Using the molar extinction coefficient of C{sub 60} in cyclohexane, the mass of fullerenes in the films was estimated to be about 0.019 mg. C{sub 60} induced fluorescence quenching of anthracene was also observed. Additional evidence for the presence of fullerenes was based on their capability to accelerate the photo-oxidation of anthracene through the generation of singlet oxygen with a high quantum yield under ultraviolet irradiation. {copyright} {ital 1997 American Institute of Physics.}

Chironomus riparius exposure to fullerene-contaminated sediment results in oxidative stress and may impact life cycle parameters

Energy Technology Data Exchange (ETDEWEB)

Waissi, G.C., E-mail: greta.waissi@uef.fi [Department of Environmental and Biological Sciences, University of Eastern Finland, Joensuu (Finland); Bold, S. [GEOMAR Helmholtz Centre of Ocean for Research Kiel (Germany); Pakarinen, K.; Akkanen, J. [Department of Environmental and Biological Sciences, University of Eastern Finland, Joensuu (Finland); Leppänen, M.T. [Finnish Environment Institute, Jyväskylä (Finland); Petersen, E.J. [Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD (United States); Kukkonen, J.V.K. [University of Jyväskylä, Department of Biological and Environmental Science, Jyväskylä (Finland)

2017-01-15

Highlights: • FullerenesC{sub 60} were tested to C. riparius with acute and chronic exposures. • The rapid uptake of fullerenes by C. riparius observed after an acute experiment. • Oxidative stress was localized in tissues under microvilli layer. - Abstract: A key component of understanding the potential environmental risks of fullerenes (C{sub 60}) is their potential effects on benthic invertebrates. Using the sediment dwelling invertebrate Chironomus riparius we explored the effects of acute (12 h and 24 h) and chronic (10 d, 15 d, and 28 d) exposures of sediment associated fullerenes. The aims of this study were to assess the impact of exposure to C{sub 60} in the sediment top layer ((0.025, 0.18 and 0.48) C{sub 60} mg/cm{sup 2}) on larval growth, oxidative stress and emergence rates and to quantify larval body burdens in similarly exposed organisms. Oxidative stress localization was observed in the tissues next to the microvilli and exoskeleton through a method for identifying oxidative stress reactions generated by reactive oxygen species. Rapid intake of fullerenes was shown in acute experiments, whereas body residues decreased after chronic exposure. Transmission electron microscopy analysis revealed oxidative damage and structural changes in cells located between the lipid droplets and next to the microvilli layer in fullerene exposed samples. Fullerene associated sediments also caused changes in the emergence rate of males and females, suggesting that the cellular interactions described above or other effects from the fullerenes may influence reproduction rates.

Identifying the source of a strong fullerene envelope arising from laser desorption mass spectrometric analysis of meteoritic insoluble organic matter

Science.gov (United States)

Hammond, Matthew R.; Zare, Richard N.

2008-11-01

Insoluble organic matter (IOM) has been obtained from two carbonaceous chondrite meteorites and subjected to analysis by laser desorption mass spectrometry (LDMS) using standard operating conditions that were optimized for fullerene detection (3-6 μJ pulses at 337 nm focused to a spot size of approximately 100 μm in diameter). The preparation process yields no free C 60 in the IOM, and other experiments suggest that this material does not contain appreciable amounts of fullerenes. Nevertheless, a pronounced high-mass envelope is observed in LDMS, extending from 720 amu to about 4000 amu, with peaks spaced apart every 24 amu (corresponding to the gain or loss of C 2 units). We attribute this high-mass envelope to the existence of various fullerene molecules. The present work demonstrates that these fullerene molecules are created by the laser desorption laser ionization process under typical laser conditions used for studying free fullerenes in organic solvent extracts of natural samples (toluene and 1,2,4-trichlorobenzene). The implications of this false positive detection of fullerene molecules on the reports of fullerenes in other meteoritic samples have been investigated by introducing IOM into typical fullerene extraction procedures and examining the LDMS results. We found that IOM is capable of producing false positive signals in these experiments. The effect of ambient laboratory contamination producing fullerene signals is also described. It is found that extensive centrifugation of the meteoritic extracts is able to reduce the observed fullerene envelope, which points to an association of this envelope with IOM particulates that have passed through the filtering steps. We suggest the exercise of extreme caution in interpreting fullerene data from LDMS experiments.

Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells--a DFT study.

Science.gov (United States)

Mohajeri, Afshan; Omidvar, Akbar

2015-09-14

Fossil fuel alternatives, such as solar energy, are moving to the forefront in a variety of research fields. Polymer solar cells (PSCs) hold promise for their potential to be used as low-cost and efficient solar energy converters. PSCs have been commonly made from bicontinuous polymer:fullerene composites or so-called bulk heterojunctions. The conjugated polymer donors and the fullerene derivative acceptors are the key materials for high performance PSCs. In the present study, we have performed density functional theory calculations to investigate the electronic structures and magnetic properties of several representative C60 fullerene derivatives, seeking ways to improve their efficiency as acceptors of photovoltaic devices. In our survey, we have successfully correlated the LUMO energy level as well as chemical hardness, hyper-hardness, nucleus-independent chemical shift, and static dipole polarizability of PC60BM-like fullerene derivative acceptors with the experimental open circuit voltage of the photovoltaic device based on the P3HT:fullerene blend. The obtained structure-property correlations allow finding the best fullerene acceptor match for the P3HT donor. For this purpose, four new fullerene derivatives are proposed and the output parameters for the corresponding P3HT-based devices are predicted. It is found that the proposed fullerene derivatives exhibit better photovoltaic properties than the traditional PC60BM acceptor. The present study opens the way for manipulating fullerene derivatives and developing promising acceptors for solar cell applications.

Fullerene C70 as a p-type donor in organic photovoltaic cells

International Nuclear Information System (INIS)

Zhuang, Taojun; Wang, Xiao-Feng; Sano, Takeshi; Kido, Junji; Hong, Ziruo; Li, Gang; Yang, Yang

2014-01-01

Fullerenes and their derivatives have been widely used as n-type materials in organic transistor and photovoltaic devices. Though it is believed that they shall be ambipolar in nature, there have been few direct experimental proofs for that. In this work, fullerene C 70 , known as an efficient acceptor, has been employed as a p-type electron donor in conjunction with 1,4,5,8,9,11-hexaazatriphenylene hexacarbonitrile as an electron acceptor in planar-heterojunction (PHJ) organic photovoltaic (OPV) cells. High fill factors (FFs) of more than 0.70 were reliably achieved with the C 70 layer even up to 100 nm thick in PHJ cells, suggesting the superior potential of fullerene C 70 as the p-type donor in comparison to other conventional donor materials. The optimal efficiency of these unconventional PHJ cells was 2.83% with a short-circuit current of 5.33 mA/cm 2 , an open circuit voltage of 0.72 V, and a FF of 0.74. The results in this work unveil the potential of fullerene materials as donors in OPV devices, and provide alternative approaches towards future OPV applications.

Plasma-chemical synthesis of carbon nanotubes and fullerenes to create frost-resistant composite building materials

International Nuclear Information System (INIS)

Semenov, A P; Smirnyagina, N N; Tsyrenov, B O; Dasheev, D E; Khaltarov, Z M

2017-01-01

This paper considers a method of synthesis fullerenes and carbon nanotubes at atmospheric pressure. Carbon evaporates into the plasma arc. The paper discusses the method of synthesis of helium at a pressure of 10 5 Pa. We show the dependence yield of fullerenes and carbon nanotubes from the buffer gas pressure. It has been found that the fullerene yield increased with increasing pressure. The obtained fullerenes and nanotubes find their application in the modification of construction materials. The use of carbon nanomodifiers in the modification of the construction is promising since their introduction significantly improves the physico-mechanical properties using a small quantity of additives. With the introduction of the carbon nanomodifier decrease the porosity of cement stone, which leads to high strength and frost-resistant indicators of the modified cement. (paper)

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...

Theory of normal and superconducting properties of fullerene-based solids

International Nuclear Information System (INIS)

Cohen, M.L.

1992-10-01

Recent experiments on the normal-state and superconducting properties of fullerene-based solids are used to constrain the proposal theories of the electronic nature of these materials. In general, models of superconductivity based on electron pairing induced by phonons are consistent with electronic band theory. The latter experiments also yield estimates of the parameters characterizing these type H superconductors. It is argued that, at this point, a ''standard model'' of phonons interacting with itinerant electrons may be a good first approximation for explaining the properties of the metallic fullerenes

Influence of Metal-Coated Graphite Powders on Microstructure and Properties of the Bronze-Matrix/Graphite Composites

Science.gov (United States)

Zhao, Jian-hua; Li, Pu; Tang, Qi; Zhang, Yan-qing; He, Jian-sheng; He, Ke

2017-02-01

In this study, the bronze-matrix/x-graphite (x = 0, 1, 3 and 5%) composites were fabricated by powder metallurgy route by using Cu-coated graphite, Ni-coated graphite and pure graphite, respectively. The microstructure, mechanical properties and corrosive behaviors of bronze/Cu-coated-graphite (BCG), bronze/Ni-coated-graphite (BNG) and bronze/pure-graphite (BPG) were characterized and investigated. Results show that the Cu-coated and Ni-coated graphite could definitely increase the bonding quality between the bronze matrix and graphite. In general, with the increase in graphite content in bronze-matrix/graphite composites, the friction coefficients, ultimate density and wear rates of BPG, BCG and BNG composites all went down. However, the Vickers microhardness of the BNG composite would increase as the graphite content increased, which was contrary to the BPG and BCG composites. When the graphite content was 3%, the friction coefficient of BNG composite was more stable than that of BCG and BPG composites, indicating that BNG composite had a better tribological performance than the others. Under all the values of applied loads (10, 20, 40 and 60N), the BCG and BNG composites exhibited a lower wear rate than BPG composite. What is more, the existence of nickel in graphite powders could effectively improve the corrosion resistance of the BNG composite.

Graphite selection for the PBMR reflector

International Nuclear Information System (INIS)

Marsden, B.J.; Preston, S.D.

2000-01-01

A high temperature, direct cycle gas turbine, graphite moderated, helium cooled, pebble-bed reactor (PBMR) is being designed and constructed in South Africa. One of the major components in the PBMR is the graphite reflector, which must be designed to last thirty-five full power years. Fast neutron irradiation changes the dimensions and material properties of reactor graphite, thus for design purposes a suitable graphite database is required. Data on the effect of irradiation on nuclear graphites has been gathered for many years, at considerable financial cost, but unfortunately these graphites are no longer available due to rationalization of the graphite industry and loss of key graphite coke supplies. However, it is possible, using un-irradiated graphite materials properties and knowledge of the particular graphite microstructure, to determine the probable irradiation behaviour. Three types of nuclear graphites are currently being considered for the PBMR reflector: an isostatically moulded, fine grained, high strength graphite and two extruded medium grained graphites of moderately high strength. Although there is some irradiation data available for these graphites, the data does not cover the temperature and dose range required for the PBMR. The available graphites have been examined to determine their microstructure and some of the key material properties are presented. (authors)

Effect of fullerene C(60 on ATPase activity and superprecipitation of skeletal muscle actomyosin

Directory of Open Access Journals (Sweden)

K. S. Andreichenko

2013-04-01

Full Text Available Creation of new biocompatible nanomaterials, which can exhibit the specific biological effects, is an important complex problem that requires the use of last accomplishments of biotechnology. The effect of pristine water-soluble fullerene C60 on ATPase activity and superprecipitation reaction of rabbit skeletal muscle natural actomyosin has been revealed, namely an increase of actomyosin superprecipitation and Мg2+, Са2+– and K+-ATPase activity by fullerene was investigated. We conclude that this finding offers a real possibility for the regulation of contraction-relaxation of skeletal muscle with fullerene C60.

Characterization of the Structural, Mechanical, and Electronic Properties of Fullerene Mixtures: A Molecular Simulations Description

KAUST Repository

Tummala, Naga Rajesh; Aziz, Saadullah; Coropceanu, Veaceslav; Bredas, Jean-Luc

2017-01-01

We investigate mixtures of fullerenes and fullerene derivatives, the most commonly used electron accepting materials in organic solar cells, by using a combination of molecular dynamics and density functional theory methods. Our goal is to describe

Method of producing exfoliated graphite, flexible graphite, and nano-scaled graphene platelets

Science.gov (United States)

Zhamu, Aruna; Shi, Jinjun; Guo, Jiusheng; Jang, Bor Z.

2010-11-02

The present invention provides a method of exfoliating a layered material (e.g., graphite and graphite oxide) to produce nano-scaled platelets having a thickness smaller than 100 nm, typically smaller than 10 nm. The method comprises (a) dispersing particles of graphite, graphite oxide, or a non-graphite laminar compound in a liquid medium containing therein a surfactant or dispersing agent to obtain a stable suspension or slurry; and (b) exposing the suspension or slurry to ultrasonic waves at an energy level for a sufficient length of time to produce separated nano-scaled platelets. The nano-scaled platelets are candidate reinforcement fillers for polymer nanocomposites. Nano-scaled graphene platelets are much lower-cost alternatives to carbon nano-tubes or carbon nano-fibers.

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.

Spectra of elementary excitations of fullerenes C60 and electron irradiation effect

International Nuclear Information System (INIS)

Gordeev, Yu.S.; Mikushkin, V.M.; Shnitov, V.V.

2000-01-01

The electron-stimulated changes in the spectra of the fullerenes C 60 elementary excitations are determined. They are manifested in decreasing the π-plasmon energy, the forbidden zone width, the HOMO-LUMO transition energy and also in smoothing the corresponding peculiarities of the spectra. The observed red shifts are connected with collectivization of the part of the π-electrons, formation of chemically-bound neighbouring molecules (polymerization) and with the corresponding increase in the part of the sp 3 -hybridized electrons. The spectra of the characteristic energy losses of the fullerene electrons, unperturbed by the polymerization process, are measured. The multipole structure of the (σ + π) plasmon and the exciton peculiarity, which manifests high sensitivity to the electron impact and may be used for the fullerene initial structure characterization, is identified [ru

Effect of graphite target power density on tribological properties of graphite-like carbon films

Science.gov (United States)

Dong, Dan; Jiang, Bailing; Li, Hongtao; Du, Yuzhou; Yang, Chao

2018-05-01

In order to improve the tribological performance, a series of graphite-like carbon (GLC) films with different graphite target power densities were prepared by magnetron sputtering. The valence bond and microstructure of films were characterized by AFM, TEM, XPS and Raman spectra. The variation of mechanical and tribological properties with graphite target power density was analyzed. The results showed that with the increase of graphite target power density, the deposition rate and the ratio of sp2 bond increased obviously. The hardness firstly increased and then decreased with the increase of graphite target power density, whilst the friction coefficient and the specific wear rate increased slightly after a decrease with the increasing graphite target power density. The friction coefficient and the specific wear rate were the lowest when the graphite target power density was 23.3 W/cm2.

Biosensing with Förster Resonance Energy Transfer Coupling between Fluorophores and Nanocarbon Allotropes

Directory of Open Access Journals (Sweden)

Shaowei Ding

2015-06-01

Full Text Available Nanocarbon allotropes (NCAs, including zero-dimensional carbon dots (CDs, one-dimensional carbon nanotubes (CNTs and two-dimensional graphene, exhibit exceptional material properties, such as unique electrical/thermal conductivity, biocompatibility and high quenching efficiency, that make them well suited for both electrical/electrochemical and optical sensors/biosensors alike. In particular, these material properties have been exploited to significantly enhance the transduction of biorecognition events in fluorescence-based biosensing involving Förster resonant energy transfer (FRET. This review analyzes current advances in sensors and biosensors that utilize graphene, CNTs or CDs as the platform in optical sensors and biosensors. Widely utilized synthesis/fabrication techniques, intrinsic material properties and current research examples of such nanocarbon, FRET-based sensors/biosensors are illustrated. The future outlook and challenges for the research field are also detailed.

Graphite for high-temperature reactors

International Nuclear Information System (INIS)

Hammer, W.; Leushacke, D.F.; Nickel, H.; Theymann, W.

1976-01-01

The different graphites necessary for HTRs are being developed, produced and tested within the Federal German ''Development Programme Nuclear Graphite''. Up to now, batches of the following graphite grades have been manufactured and fully characterized by the SIGRI Company to demonstrate reproducibility: pitch coke graphite AS2-500 for the hexagonal fuel elements and exchangeable reflector blocks; special pitch coke graphite ASI2-500 for reflector blocks of the pebble-bed reactor and as back-up material for the hexagonal fuel elements; graphite for core support columns. The material data obtained fulfill most of the requirements under present specifications. Production of large-size blocks for the permanent side reflector and the core support blocks is under way. The test programme covers all areas important for characterizing and judging HTR-graphites. In-pile testing comprises evaluation of the material for irradiation-induced changes of dimensions, mechanical and thermal properties - including behaviour under temperature cycling and creep behaviour - as well as irradiating fuel element segments and blocks. Testing out-of-pile includes: evaluation of corrosion rates and influence of corrosion on strength; strength measurements; including failure criteria. The test programme has been carried out extensively on the AS2-graphite, and the results obtained show that this graphite is suitable as HTGR fuel element graphite. (author)

Features of interaction of fullerenes with microwave radiation

International Nuclear Information System (INIS)

Venger, E.F.; Konakova, R.V.; Kolyadina, E.Yu.; Matveeva, L.A.; Nelyuba, P.L.; Shinkarenko, V.V.

2015-01-01

Hetero systems with C 6 0 fullerenes were obtained by thermal sublimation method of microcrystalline C 6 0 powder from effusion tantalum cell in vacuum at a pressure of 10 -4 Pa onto non-heated silicon substrates. Composition, structural perfection and electronic properties, internal mechanical stresses in the films and the substrate at the interface, the influence on them of electromagnetic radiation (frequency of 2.45 GHz, power of 1.5 W/cm 2 ) were studied. Investigations were carried out by atomic force microscopy, Raman spectroscopy, electro reflectance modulation spectroscopy and hetero systems profilography to determine the sign and magnitude of mechanical stresses. There was the possibility of obtaining heterostructures with fullerenes without mechanical stress and the decomposition of the C 6 0 molecules in the film. Improvement of electronic properties of the films and the substrate was determined by the shift and value of transition energy Eg. This decreases the phenomenological broadening parameter Γ, increases the energy relaxation time of charge carriers τ and their mobility μ. For the first time determined the change of the fullerenes band gap depending on availability of internal mechanical stresses in the film: - 2.8×10 -10 eV/Pa and - 4.2×10 -10 eV/Pa for E0 and E0' transitions, respectively. (authors)

A graphite nanoeraser

DEFF Research Database (Denmark)

Liu, Ze; Bøggild, Peter; Yang, Jia-rui

2011-01-01

We present here a method for cleaning intermediate-size (up to 50 nm) contamination from highly oriented pyrolytic graphite and graphene. Electron-beam-induced deposition of carbonaceous material on graphene and graphite surfaces inside a scanning electron microscope, which is difficult to remove...... by conventional techniques, can be removed by direct mechanical wiping using a graphite nanoeraser, thus drastically reducing the amount of contamination. We discuss potential applications of this cleaning procedure....

Li interactions with the B40 fullerene and its application in Li-ion batteries: DFT studies

Science.gov (United States)

Moradi, Morteza; Bagheri, Zargham; Bodaghi, Ali

2017-05-01

The interaction of Li and Li+ with a B40 all-boron fullerene was theoretically investigated at the B3LYP, and Minnesota 2006 levels of theory. It was found that, unexpectedly, the interaction Li+ cation with the electron deficient B40 fullerene is stronger than the Li atom. It indicates that the B40 fullerene does not act as a conventional Lewis acid because of its highly correlated structure. Frontier molecular orbitals, partial density of states, and natural bond orbital analyses were used to discuss this unusual behavior. Our calculations indicate that this behavior makes the B40 fullerene more appropriate for application in the Li-ion batteries as anode material. The calculated cell voltage is about 530 mV. Also, it was found that Hartree Fock (HF) exchange percentage of density functionals has a reverse effect on the adsorption energies of Li and Li+. This energy is increased and decreased, respectively, for Li+ and Li adsorptions by increasing %HF exchange. Finally, a potential energy surface for Li and Li+ penetration into B40 fullerene was predicted.

Nature of the Binding Interactions between Conjugated Polymer Chains and Fullerenes in Bulk Heterojunction Organic Solar Cells

KAUST Repository

Ravva, Mahesh Kumar

2016-10-24

Blends of π-conjugated polymers and fullerene derivatives are ubiquitous as the active layers of organic solar cells. However, a detailed understanding of the weak noncovalent interactions at the molecular level between the polymer chains and fullerenes is still lacking and could help in the design of more efficient photoactive layers. Here, using a combination of long-range corrected density functional theory calculations and molecular dynamic simulations, we report a thorough characterization of the nature of binding between fullerenes (C60 and PC61BM) and poly(benzo[1,2-b:4,5-b′]dithiophene–thieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD) chains. We illustrate the variations in binding strength when the fullerenes dock on the electron-rich vs electron-poor units of the polymer as well as the importance of the role played by the polymer and fullerene side chains and the orientations of the PC61BM molecules with respect to the polymer backbones.

Derivatization and diffusive motion of molecular fullerenes: Ab initio and atomistic simulations

Energy Technology Data Exchange (ETDEWEB)

Berdiyorov, G., E-mail: gberdiyorov@qf.org.qa; Tabet, N. [Qatar Environment and Energy Research Institute (QEERI), Hamad Ben Khalifa University (HBKU), Qatar Foundation, P.O. Box 5825, Doha (Qatar); Harrabi, K. [Department of Physics, King Fahd University of Petroleum and Minerals, 31261 Dhahran (Saudi Arabia); Mehmood, U.; Hussein, I. A. [Department of Chemical Engineering, King Fahd University of Petroleum and Minerals, 31261 Dharan (Saudi Arabia); Peeters, F. M. [Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium); Zhang, J. [Department of Materials and London Centre for Nanotechnology, Imperial College London, SW7 2AZ London (United Kingdom); McLachlan, M. A. [Department of Materials and Centre for Plastic Electronics, Imperial College London, SW7 2AZ London (United Kingdom)

2015-07-14

Using first principles density functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of derivatization on the electronic and transport properties of C{sub 60} fullerene. As a typical example, we consider [6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCBM), which forms one of the most efficient organic photovoltaic materials in combination with electron donating polymers. Extra peaks are observed in the density of states (DOS) due to the formation of new electronic states localized at/near the attached molecule. Despite such peculiar behavior in the DOS of an isolated molecule, derivatization does not have a pronounced effect on the electronic transport properties of the fullerene molecular junctions. Both C{sub 60} and PCBM show the same response to finite voltage biasing with new features in the transmission spectrum due to voltage induced delocalization of some electronic states. We also study the diffusive motion of molecular fullerenes in ethanol solvent and inside poly(3-hexylthiophene) lamella using reactive molecular dynamics simulations. We found that the mobility of the fullerene reduces considerably due to derivatization; the diffusion coefficient of C{sub 60} is an order of magnitude larger than the one for PCBM.

Optoelectronic Properties of Van Der Waals Hybrid Structures: Fullerenes on Graphene Nanoribbons.

Science.gov (United States)

Correa, Julián David; Orellana, Pedro Alejandro; Pacheco, Mónica

2017-03-20

The search for new optical materials capable of absorbing light in the frequency range from visible to near infrared is of great importance for applications in optoelectronic devices. In this paper, we report a theoretical study of the electronic and optical properties of hybrid structures composed of fullerenes adsorbed on graphene and on graphene nanoribbons. The calculations are performed in the framework of the density functional theory including the van der Waals dispersive interactions. We found that the adsorption of the C 60 fullerenes on a graphene layer does not modify its low energy states, but it has strong consequences for its optical spectrum, introducing new absorption peaks in the visible energy region. The optical absorption of fullerenes and graphene nanoribbon composites shows a strong dependence on photon polarization and geometrical characteristics of the hybrid systems, covering a broad range of energies. We show that an external electric field across the nanoribbon edges can be used to tune different optical transitions coming from nanoribbon-fullerene hybridized states, which yields a very rich electro-absorption spectrum for longitudinally polarized photons. We have carried out a qualitative analysis on the potential of these hybrids as possible donor-acceptor systems in photovoltaic cells.

Optoelectronic Properties of Van Der Waals Hybrid Structures: Fullerenes on Graphene Nanoribbons

Directory of Open Access Journals (Sweden)

Julián David Correa

2017-03-01

Full Text Available The search for new optical materials capable of absorbing light in the frequency range from visible to near infrared is of great importance for applications in optoelectronic devices. In this paper, we report a theoretical study of the electronic and optical properties of hybrid structures composed of fullerenes adsorbed on graphene and on graphene nanoribbons. The calculations are performed in the framework of the density functional theory including the van der Waals dispersive interactions. We found that the adsorption of the C 60 fullerenes on a graphene layer does not modify its low energy states, but it has strong consequences for its optical spectrum, introducing new absorption peaks in the visible energy region. The optical absorption of fullerenes and graphene nanoribbon composites shows a strong dependence on photon polarization and geometrical characteristics of the hybrid systems, covering a broad range of energies. We show that an external electric field across the nanoribbon edges can be used to tune different optical transitions coming from nanoribbon–fullerene hybridized states, which yields a very rich electro-absorption spectrum for longitudinally polarized photons. We have carried out a qualitative analysis on the potential of these hybrids as possible donor-acceptor systems in photovoltaic cells.

Functionalized Fullerene Targeting Human Voltage-Gated Sodium Channel, hNav1.7.

Science.gov (United States)

Hilder, Tamsyn A; Robinson, Anna; Chung, Shin-Ho

2017-08-16

Mutations of hNa v 1.7 that cause its activities to be enhanced contribute to severe neuropathic pain. Only a small number of hNa v 1.7 specific inhibitors have been identified, most of which interact with the voltage-sensing domain of the voltage-activated sodium ion channel. In our previous computational study, we demonstrated that a [Lys 6 ]-C 84 fullerene binds tightly (affinity of 46 nM) to Na v Ab, the voltage-gated sodium channel from the bacterium Arcobacter butzleri. Here, we extend this work and, using molecular dynamics simulations, demonstrate that the same [Lys 6 ]-C 84 fullerene binds strongly (2.7 nM) to the pore of a modeled human sodium ion channel hNa v 1.7. In contrast, the fullerene binds only weakly to a mutated model of hNa v 1.7 (I1399D) (14.5 mM) and a model of the skeletal muscle hNa v 1.4 (3.7 mM). Comparison of one representative sequence from each of the nine human sodium channel isoforms shows that only hNa v 1.7 possesses residues that are critical for binding the fullerene derivative and blocking the channel pore.

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...

The Role of Electron Affinity in Determining Whether Fullerenes Catalyze or Inhibit Photooxidation of Polymers for Solar Cells

KAUST Repository

Hoke, Eric T.

2012-05-21

Understanding the stability and degradation mechanisms of organic solar materials is critically important to achieving long device lifetimes. Here, an investigation of the photodegradation of polymer:fullerene blend fi lms exposed to ambient conditions for a variety of polymer and fullerene derivative combinations is presented. Despite the wide range in polymer stabilities to photodegradation, the rate of irreversible polymer photobleaching in blend fi lms is found to consistently and dramatically increase with decreasing electron affi nity of the fullerene derivative. Furthermore, blends containing fullerenes with the smallest electron affi nities photobleached at a faster rate than fi lms of the pure polymer. These observations can be explained by a mechanism where both the polymer and fullerene donate photogenerated electrons to diatomic oxygen to form the superoxide radical anion which degrades the polymer. © 2012 WILEY-VCH Verlag GmbH & Co.

Investigation of fullerene ions in crossed-beams experiments

International Nuclear Information System (INIS)

Hathiramani, D.; Scheier, P.; Braeuning, H.; Trassl, R.; Salzborn, E.; Presnyakov, L.P.; Narits, A.A.; Uskov, D.B.

2003-01-01

Employing the crossed-beams technique, we have studied the interaction of fullerene ions both with electrons and He 2+ -ions. Electron-impact ionization cross sections for C 60 q+ (q=1,2,3) have been measured at electron energies up to 1000 eV. Unusual features in shape and charge state dependence have been found, which are not observed for atomic ions. The evaporative loss of neutral C 2 fragments in collisions with electrons indicates the presence of two different mechanisms. In a first-ever ion-ion crossed-beams experiment involving fullerene ions a cross section of (1.05 ± 0.06) x 10 -15 cm 2 for charge transfer in the collision C 60 + + He 2+ at 117.2 keV center-of-mass energy has been obtained

First-principle calculations of optical properties of monolayer arsenene and antimonene allotropes

Energy Technology Data Exchange (ETDEWEB)

Xu, Yuanfeng; Peng, Bo; Zhang, Hao; Zhang, Rongjun; Zhu, Heyuan [Shanghai Ultra-precision Optical Manufacturing Engineering Research Center and Key Laboratory of Micro and Nano Photonic Structures (Ministry of Education), Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); Shao, Hezhu [Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China)

2017-04-15

Recently a stable monolayer of antimony in buckled honeycomb structure called antimonene was successfully grown on 3D topological insulator Bi{sub 2}Te{sub 3} and Sb{sub 2}Te{sub 3}, which displays novel semiconducting properties. By first-principle calculations, we systematically investigate the electronic and optical properties of α- and β-allotropes of monolayer arsenene/antimonene. The obtained electronic structures reveal that the direct band gap of α-arsenene/antimonene is much smaller than the indirect band gap of their β-counterpart, respectively. Significant absorption is observed in α-antimonene, which can be used as a broad saturable absorber. For β-arsenene/antimonene, the reflectivity is low and the absorption is negligible in the visible region when the polarization along the out-plane direction, indicating that β-arsenene/antimonene are polarizationally transparent materials. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Preparation and tribology properties of water-soluble fullerene derivative nanoball

Directory of Open Access Journals (Sweden)

Guichang Jiang

2017-02-01

Full Text Available Water-soluble fullerene derivatives were synthesized via radical polymerization. They are completely soluble in water, yielding a clear brown solution. The products were characterized by FTIR, UV–Vis, 1H-NMR, 13CNMR, GPC, TGA, and SEM. Four-ball tests show that the addition of a certain concentration of the fullerene derivatives to base stock (2 wt.% triethanolamine aqueous solution can effectively increase both the load-carrying capacity (PB value, and the resistance to wear. SEM observations confirm the additive results in a reduced diameter of the wear scar and decreased wear.

Thermal effect on structure organizations in cobalt-fullerene nanocomposition.

Science.gov (United States)

Lavrentiev, Vasily; Vacik, Jiri; Naramoto, Hiroshi; Sakai, Seiji

2010-04-01

Effect of deposition temperature (Ts) on structure of Co-C60 nanocomposite (NC) prepared by simultaneous deposition of cobalt and fullerene on sapphire is presented. The NC structure variations with Ts increasing from room temperature (RT) to 400 degrees C have been analyzed using scanning electron microscopy (SEM), atomic force microscopy (AFM) and Raman spectroscopy. AFM and SEM show granule-like structure of the Co-C60 film. The mixture film deposited at RT includes the hills on the surface suggesting accumulation of internal stress during phase separation. Raman spectra show 25 cm(-1) downshift of Ag(2) C60 peak suggesting -Co-C60- polymerization in C60-based matrix of the NC film. Analysis of Raman spectra has revealed existence of amorphous carbon (a-C) in the NC matrix that argues C60 decomposition. The Ts increase to 200 degrees C causes the surface hills smoothing. In parallel, downshift of the Ag(2) peak decreases to 16 cm(-1) that implies more pronounced phase separation and lower -Co-C60- polymerization efficiency. Also, amount of a-C content slightly increases. Further Ts increasing to 400 degrees C changes the NC structure dramatically. AFM shows evident enlargement of the granules. According to Raman spectra the high Ts deposition yields pronounced C60 decomposition increasing the a-C content. Features of a-C Raman peak imply nucleation of graphitic islands at the NC interfaces. Abundant decomposition of C60 in the mixture film deposited at 400 degrees C is referred to cobalt catalytic effect.

Recent Advances in Electrochemical Biosensors Based on Fullerene-C60 Nano-Structured Platforms.

Science.gov (United States)

Pilehvar, Sanaz; De Wael, Karolien

2015-11-23

Nanotechnology is becoming increasingly important in the field of (bio)sensors. The performance and sensitivity of biosensors is greatly improved with the integration of nanomaterials into their construction. Since its first discovery, fullerene-C60 has been the object of extensive research. Its unique and favorable characteristics of easy chemical modification, conductivity, and electrochemical properties has led to its tremendous use in (bio)sensor applications. This paper provides a concise review of advances in fullerene-C60 research and its use as a nanomaterial for the development of biosensors. We examine the research work reported in the literature on the synthesis, functionalization, approaches to nanostructuring electrodes with fullerene, and outline some of the exciting applications in the field of (bio)sensing.

C60 fullerenes from combustion of common fuels

Energy Technology Data Exchange (ETDEWEB)

Tiwari, Andrea J., E-mail: ajtiwari@vt.edu [Department of Civil & Environmental Engineering, Virginia Tech, 200 Patton Hall, 750 Drillfield Drive, Blacksburg, VA 24061 (United States); Ashraf-Khorassani, Mehdi, E-mail: mashraf@vt.edu [Department of Chemistry, Virginia Tech, 480 Davidson Hall, 900 West Campus Drive, Virginia Tech, Blacksburg, VA 24061 (United States); Marr, Linsey C., E-mail: lmarr@vt.edu [Department of Civil & Environmental Engineering, Virginia Tech, 200 Patton Hall, 750 Drillfield Drive, Blacksburg, VA 24061 (United States)

2016-03-15

Releases of C{sub 60} fullerenes to the environment will increase with the growth of nanotechnology. Assessing the potential risks of manufactured C{sub 60} requires an understanding of how its prevalence in the environment compares to that of natural and incidental C{sub 60}. This work describes the characterization of incidental C{sub 60} present in aerosols generated by combustion of five common fuels: coal, firewood, diesel, gasoline, and propane. C{sub 60} was found in exhaust generated by all five fuels; the highest concentrations in terms of mass of C{sub 60} per mass of particulate matter were associated with diesel and coal. Individual aerosols from these combustion processes were examined by transmission electron microscopy. No relationship was found between C{sub 60} content and either the separation of graphitic layers (lamellae) within the particles, nor the curvature of those lamellae. Estimated global emissions of incidental C{sub 60} to the atmosphere from coal and diesel combustion range from 1.6 to 6.3 t yr{sup −1}, depending upon combustion conditions. These emissions may be similar in magnitude to the total amount of manufactured C{sub 60} produced on an annual basis. Consequent loading of incidental C{sub 60} to the environment may be several orders of magnitude higher than has previously been modeled for manufactured C{sub 60}. - Highlights: • Exhaust of common fuels (coal, diesel, etc.) analyzed via chromatography for C{sub 60.} • All five fuels tested produced C{sub 60} in aerosols in mass fractions up to several ppm. • Emissions of incidental C{sub 60} may be comparable to the total amount manufactured.

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.

Thermodynamics of TMPC/PSd/Fullerene Nanocomposites: SANS Study

KAUST Repository

Chua, Yang-Choo; Chan, Alice; Wong, Him-Cheng; Higgins, Julia S.; Cabral, João T.

2010-01-01

) 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

Performance of AC/graphite capacitors at high weight ratios of AC/graphite

Energy Technology Data Exchange (ETDEWEB)

Wang, Hongyu [IM and T Ltd., Advanced Research Center, Saga University, 1341 Yoga-machi, Saga 840-0047 (Japan); Yoshio, Masaki [Advanced Research Center, Department of Applied Chemistry, Saga University, 1341 Yoga-machi, Saga 840-0047 (Japan)

2008-03-01

The effect of negative to positive electrode materials' weight ratio on the electrochemical performance of both activated carbon (AC)/AC and AC/graphite capacitors has been investigated, especially in the terms of capacity and cycle-ability. The limited capacity charge mode has been proposed to improve the cycle performance of AC/graphite capacitors at high weight ratios of AC/graphite. (author)

Progress in radioactive graphite waste management

International Nuclear Information System (INIS)

2010-07-01

Radioactive graphite constitutes a major waste stream which arises during the decommissioning of certain types of nuclear installations. Worldwide, a total of around 250 000 tonnes of radioactive graphite, comprising graphite moderators and reflectors, will require management solutions in the coming years. 14 C is the radionuclide of greatest concern in nuclear graphite; it arises principally through the interaction of reactor neutrons with nitrogen, which is present in graphite as an impurity or in the reactor coolant or cover gas. 3 H is created by the reactions of neutrons with 6 Li impurities in graphite as well as in fission of the fuel. 36 Cl is generated in the neutron activation of chlorine impurities in graphite. Problems in the radioactive waste management of graphite arise mainly because of the large volumes requiring disposal, the long half-lives of the main radionuclides involved and the specific properties of graphite - such as stored Wigner energy, graphite dust explosibility and the potential for radioactive gases to be released. Various options for the management of radioactive graphite have been studied but a generally accepted approach for its conditioning and disposal does not yet exist. Different solutions may be appropriate in different cases. In most of the countries with radioactive graphite to manage, little progress has been made to date in respect of the disposal of this material. Only in France has there been specific thinking about a dedicated graphite waste-disposal facility (within ANDRA): other major producers of graphite waste (UK and the countries of the former Soviet Union) are either thinking in terms of repository disposal or have no developed plans. A conference entitled 'Solutions for Graphite Waste: a Contribution to the Accelerated Decommissioning of Graphite Moderated Nuclear Reactors' was held at the University of Manchester 21-23 March 2007 in order to stimulate progress in radioactive graphite waste management

Characterizing Cavities in Model Inclusion Fullerenes: A Comparative Study

Directory of Open Access Journals (Sweden)

Francisco Torrens

2001-06-01

Full Text Available Abstract: The fullerene-82 cavity is selected as a model system in order to test several methods for characterizing inclusion molecules. The methods are based on different technical foundations such as a square and triangular tessellation of the molecular surface, spherical tessellation of the molecular surface, numerical integration of the atomic volumes and surfaces, triangular tessellation of the molecular surface, and cubic lattice approach to the molecular volume. Accurate measures of the molecular volume and surface area have been performed with the pseudorandom Monte Carlo (MCVS and uniform Monte Carlo (UMCVS methods. These calculations serve as a reference for the rest of the methods. The SURMO2 method does not recognize the cavity and may not be convenient for intercalation compounds. The programs that detect the cavities never exceed 1% deviation relative to the reference value for molecular volume and 5% for surface area. The GEPOL algorithm, alone or combined with TOPO, shows results in good agreement with those of the UMCVS reference. The uniform random number generator provides the fastest convergence for UMCVS and a correct estimate of the standard deviations. The effect of the internal cavity on the solvent-accessible surfaces has been calculated. Fullerene-82 is compared with fullerene-60 and -70.

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.

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

KAUST Repository

Scarongella, Mariateresa; De Jonghe-Risse, Jelissa; Buchaca-Domingo, Ester; Causa’ , Martina; Fei, Zhuping; Heeney, Martin; Moser, Jacques-E.; Stingelin, Natalie; Banerji, Natalie

2015-01-01

© 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.

Study of the Si fullerene cage isomers

NARCIS (Netherlands)

Fthenakis, Z.G.; Havenith, R.W.A.; Menon, M.; Fowler, P.W.

2005-01-01

We present the results of a study on the structural and electronic properties of the Si38 fullerene isomers, which are constructed by making all possible permutations among their pentagons and hexagons. These structures were firstly fully optimized with a tight binding molecular dynamics method and

Fullerene alloy formation and the benefits for efficient printing of ternary blend organic solar cells

DEFF Research Database (Denmark)

Angmo, Dechan; Bjerring, Morten; Nielsen, Niels Chr.

2015-01-01

behaving as pseudo-binary mixtures due to alloying of the fullerene components. This finding has vast implications for the understanding of polymer–fullerene mixtures and quite certainly also their application in organic solar cells where performance hinges critically on the blend behaviour which is also...

Graphite for fusion energy applications

International Nuclear Information System (INIS)

Eatherly, W.P.; Clausing, R.E.; Strehlow, R.A.; Kennedy, C.R.; Mioduszewski, P.K.

1987-03-01

Graphite is in widespread and beneficial use in present fusion energy devices. This report reflects the view of graphite materials scientists on using graphite in fusion devices. Graphite properties are discussed with emphasis on application to fusion reactors. This report is intended to be introductory and descriptive and is not intended to serve as a definitive information source

Graphite-based photovoltaic cells

Science.gov (United States)

Lagally, Max; Liu, Feng

2010-12-28

The present invention uses lithographically patterned graphite stacks as the basic building elements of an efficient and economical photovoltaic cell. The basic design of the graphite-based photovoltaic cells includes a plurality of spatially separated graphite stacks, each comprising a plurality of vertically stacked, semiconducting graphene sheets (carbon nanoribbons) bridging electrically conductive contacts.

Graphite in Science and Nuclear Technique

OpenAIRE

Zhmurikov, E. I.; Bubnenkov, I. A.; Dremov, V. V.; Samarin, S. I.; Pokrovsky, A. S.; Harkov, D. V.

2013-01-01

The monograph is devoted to the application of graphite and graphite composites in science and technology. The structure and electrical properties, the technological aspects of production of high-strength synthetic graphites, the dynamics of the graphite destruction, traditionally used in the nuclear industry are discussed. It is focuses on the characteristics of graphitization and properties of graphite composites based on carbon isotope 13C. The book is based, generally, on the original res...

Management of UKAEA graphite liabilities

International Nuclear Information System (INIS)

Wise, M.

2001-01-01

The UK Atomic Energy Authority (UKAEA) is responsible for managing its liabilities for redundant research reactors and other active facilities concerned with the development of the UK nuclear technology programme since 1947. These liabilities include irradiated graphite from a variety of different sources including low irradiation temperature reactor graphite (the Windscale Piles 1 and 2, British Energy Pile O and Graphite Low Energy Experimental Pile at Harwell and the Material Testing Reactors at Harwell and Dounreay), advanced gas-cooled reactor graphite (from the Windscale Advanced Gas-cooled Reactor) and graphite from fast reactor systems (neutron shield graphite from the Dounreay Prototype Fast Reactor and Dounreay Fast Reactor). The decommissioning and dismantling of these facilities will give rise to over 6,000 tonnes of graphite requiring disposal. The first graphite will be retrieved from the dismantling of Windscale Pile 1 and the Windscale Advanced Gas-cooled Reactor during the next five years. UKAEA has undertaken extensive studies to consider the best practicable options for disposing of these graphite liabilities in a manner that is safe whilst minimising the associated costs and technical risks. These options include (but are not limited to), disposal as Low Level Waste, incineration, or encapsulation and disposal as Intermediate Level Waste. There are a number of technical issues associated with each of these proposed disposal options; these include Wigner energy, radionuclide inventory determination, encapsulation of graphite dust, galvanic coupling interactions enhancing the corrosion of mild steel and public acceptability. UKAEA is currently developing packaging concepts and designing packaging plants for processing these graphite wastes in consultation with other holders of graphite wastes throughout Europe. 'Letters of Comfort' have been sought from both the Low Level Waste and the Intermediate Level Waste disposal organisations to support the

Electrochemical treatment of graphite

International Nuclear Information System (INIS)

Podlovilin, V.I.; Egorov, I.M.; Zhernovoj, A.I.

1983-01-01

In the course of investigating various modes of electroche-- mical treatment (ECT) it has been found that graphite anode treatment begins under the ''glow mode''. A behaviour of some marks of graphite with the purpose of ECT technique development in different electrolytes has been tested. Electrolytes have been chosen of three types: highly alkaline (pH 13-14), neutral (pH-Z) and highly acidic (pH 1-2). For the first time parallel to mechanical electroerosion treatment ECT graphite and carbon graphite materials previously considered chemically neutral is proposed. ECT of carbon graphite materials has a number of advantages as compared with electroerrosion and mechanical ones this is treatment rate and purity (ronghness) of the surface. A sMall quantity of sludge (6-8%) under ECT is in highly alkali electrolytes

Glass-Graphite Composite Materials

International Nuclear Information System (INIS)

Mayzan, M.Z.H.; Lloyd, J.W.; Heath, P.G.; Stennett, M.C.; Hyatt, N.C.; Hand, R.J.

2016-01-01

A summary is presented of investigations into the potential of producing glass-composite materials for the immobilisation of graphite or other carbonaceous materials arising from nuclear power generation. The methods are primarily based on the production of base glasses which are subsequently sintered with powdered graphite or simulant TRISO particles. Consideration is also given to the direct preparation of glass-graphite composite materials using microwave technology. Production of dense composite wasteforms with TRISO particles was more successful than with powdered graphite, as wasteforms containing larger amounts of graphite were resistant to densification and the glasses tried did not penetrate the pores under the pressureless conditions used. Based on the results obtained it is concluded that the production of dense glassgraphite composite wasteforms will require the application of pressure. (author)

Graphite oxidation and structural strength of graphite support column in VHTR

International Nuclear Information System (INIS)

Park, Byung Ha; No, Hee Cheno; Kim, Eung Soo; Oh, Chang H.

2009-01-01

The air-ingress event by a large pipe break is an important accident considered in design of very high-temperature gas-cooled reactors (VHTR). Core-collapse prediction is a main safety issue. Structural failure model are technically required. The objective of this study is to develop structural failure model for the supporting graphite material in the lower plenum of the GT-MHR (gas-turbine-modular high temperature reactor). Graphite support column is important for VHTR structural integrity. Graphite support columns are under the axial load. Critical strength of graphite column is related to slenderness ratio and bulk density. Through compression tests for fresh and oxidized graphite columns we show that compressive strength of IG-110 was 79.46 MPa. And, the buckling strength of IG-110 column was expressed by the empirical formula: σ 0 =σ straight-line - C L/r, σ straight-line =91.31 MPa, C=1.01. The results of uniform and non-uniform oxidation tests show that the strength degradation of oxidized graphite column is expressed in the following non-dimensional form: σ/σ 0 =exp(-kd), k=0.111. Also, from the results of the uniform oxidation test with a complicated-shape column, we found out that the above non-dimensional equation obtained from the uniform oxidation test is applicable to a uniform oxidation case with a complicated-shape column. (author)

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.; Parida, Manas R.; Tosato, Alberto; AbdulHalim, Lina G.; Usman, Anwar; Alsulami, Qana; Banavoth, Murali; Alarousu, Erkki; Bakr, Osman; Mohammed, Omar F.

2015-01-01

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

Ion irradiation to simulate neutron irradiation in model graphites: Consequences for nuclear graphite

Science.gov (United States)

Galy, N.; Toulhoat, N.; Moncoffre, N.; Pipon, Y.; Bérerd, N.; Ammar, M. R.; Simon, P.; Deldicque, D.; Sainsot, P.

2017-10-01

Due to its excellent moderator and reflector qualities, graphite was used in CO2-cooled nuclear reactors such as UNGG (Uranium Naturel-Graphite-Gaz). Neutron irradiation of graphite resulted in the production of 14C which is a key issue radionuclide for the management of the irradiated graphite waste. In order to elucidate the impact of neutron irradiation on 14C behavior, we carried out a systematic investigation of irradiation and its synergistic effects with temperature in Highly Oriented Pyrolitic Graphite (HOPG) model graphite used to simulate the coke grains of nuclear graphite. We used 13C implantation in order to simulate 14C displaced from its original structural site through recoil. The collision of the impinging neutrons with the graphite matrix carbon atoms induces mainly ballistic damage. However, a part of the recoil carbon atom energy is also transferred to the graphite lattice through electronic excitation. The effects of the different irradiation regimes in synergy with temperature were simulated using ion irradiation by varying Sn(nuclear)/Se(electronic) stopping power. Thus, the samples were irradiated with different ions of different energies. The structure modifications were followed by High Resolution Transmission Electron Microscopy (HRTEM) and Raman microspectrometry. The results show that temperature generally counteracts the disordering effects of irradiation but the achieved reordering level strongly depends on the initial structural state of the graphite matrix. Thus, extrapolating to reactor conditions, for an initially highly disordered structure, irradiation at reactor temperatures (200 - 500 °C) should induce almost no change of the initial structure. On the contrary, when the structure is initially less disordered, there should be a "zoning" of the reordering: In "cold" high flux irradiated zones where the ballistic damage is important, the structure should be poorly reordered; In "hot" low flux irradiated zones where the ballistic

A Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends

KAUST Repository

Tummala, Naga Rajesh

2015-04-21

Quantifying cohesion and understanding fracture phenomena in thin-film electronic devices are necessary for improved materials design and processing criteria. For organic photovoltaics (OPVs), the cohesion of the photoactive layer portends its mechanical flexibility, reliability, and lifetime. Here, the molecular mechanism for the initiation of cohesive failure in bulk heterojunction (BHJ) OPV active layers derived from the semiconducting polymer poly-(3-hexylthiophene) [P3HT] and two mono-substituted fullerenes is examined experimentally and through molecular-dynamics simulations. The results detail how, under identical conditions, cohesion significantly changes due to minor variations in the fullerene adduct functionality, an important materials consideration that needs to be taken into account across fields where soluble fullerene derivatives are used.

Phonon scattering in graphite

International Nuclear Information System (INIS)

Wagner, P.

1976-04-01

Effects on graphite thermal conductivities due to controlled alterations of the graphite structure by impurity addition, porosity, and neutron irradiation are shown to be consistent with the phonon-scattering formulation 1/l = Σ/sub i equals 1/sup/n/ 1/l/sub i/. Observed temperature effects on these doped and irradiated graphites are also explained by this mechanism

Organic solar cells based on anthracene-containing PPE–PPVs and non-fullerene acceptors

KAUST Repository

Alam, Shahidul

2018-04-13

Lately, non-fullerene acceptors (NFAs) have received increasing attention for use in polymer-based bulk-heterojunction (BHJ) organic solar cells (OSCs), as improved photovoltaic performance compared to classical polymer–fullerene blends could be demonstrated. In this study, polymer solar cells based on a statistically substituted anthracene-containing poly(p-phenylene ethynylene)-alt-poly(p-phenylene vinylene)s (PPE–PPVs) copolymer (AnE-PVstat) as donor in combination with a number of different electron accepting materials were investigated. Strong photoluminescence quenching of the polymer donor indicates intimate intermixing of both materials. However, the photovoltaic performances were found to be poor compared to blends that use fullerene as acceptor. Time-delayed collection field (TDCF) measurements demonstrate: charge generation is field-independent, but bimolecular recombination processes limit the fill factor and thus the efficiency of devices.

Organic solar cells based on anthracene-containing PPE–PPVs and non-fullerene acceptors

KAUST Repository

Alam, Shahidul; Meitzner, Rico; Nwadiaru, Ogechi V.; Friebe, Christian; Cann, Jonathan; Ahner, Johannes; Ulbricht, Christoph; Kan, Zhipeng; Hö ppener, Stephanie; Hager, Martin D.; Egbe, Daniel A. M.; Welch, Gregory C.; Laquai, Fré dé ric; Schubert, Ulrich S.; Hoppe, Harald

2018-01-01

Lately, non-fullerene acceptors (NFAs) have received increasing attention for use in polymer-based bulk-heterojunction (BHJ) organic solar cells (OSCs), as improved photovoltaic performance compared to classical polymer–fullerene blends could be demonstrated. In this study, polymer solar cells based on a statistically substituted anthracene-containing poly(p-phenylene ethynylene)-alt-poly(p-phenylene vinylene)s (PPE–PPVs) copolymer (AnE-PVstat) as donor in combination with a number of different electron accepting materials were investigated. Strong photoluminescence quenching of the polymer donor indicates intimate intermixing of both materials. However, the photovoltaic performances were found to be poor compared to blends that use fullerene as acceptor. Time-delayed collection field (TDCF) measurements demonstrate: charge generation is field-independent, but bimolecular recombination processes limit the fill factor and thus the efficiency of devices.

Nucleation and growth characteristics of graphite spheroids in bainite during graphitization annealing of a medium carbon steel

International Nuclear Information System (INIS)

Gao, J.X.; Wei, B.Q.; Li, D.D.; He, K.

2016-01-01

The evolution of microstructure in bainite during graphitization annealing at 680 °C of Jominy-quenched bars of an Al-Si bearing medium carbon (0.4C wt%) steel has been studied and compared with that in martensite by using light, scanning and transmission electron microscopy. The results show that the graphitization process in bainite is different from that in martensite in many aspects such as the initial carbon state, the behavior of cementite, the nucleation-growth feature and kinetics of formation of graphite spheroids during graphitization annealing, and the shape, size and distribution of these graphite spheroids. The fact that the graphitization in bainite can produce more homogeneous graphite spheroids with more spherical shape and finer size in a shorter annealing time without the help of preexisting coring particles implies that bainite should be a better starting structure than martensite for making graphitic steel. - Highlights: • This article presents a microstructural characterization of formation of graphite spheroids in bainite. • Nucleation and growth characteristics of graphite spheroids formed in bainite and martensite are compared. • Bainite should be a better starting structure for making graphitic steel as results show.

Tuning Fullerene Intercalation in a Poly (thiophene) derivative by Controlling the Polymer Degree of Self-Organisation

Science.gov (United States)

Paternò, G. M.; Skoda, M. W. A.; Dalgliesh, Robert; Cacialli, F.; Sakai, V. García

2016-10-01

Controlling the nanoscale arrangement in polymer-fullerene organic solar cells is of paramount importance to boost the performance of such promising class of photovoltaic diodes. In this work, we use a pseudo-bilayer system made of poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene (PBTTT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), to acquire a more complete understanding of the diffusion and intercalation of the fullerene-derivative within the polymer layer. By exploiting morphological and structural characterisation techniques, we observe that if we increase the film solidification time the polymer develops a higher crystalline order, and, as a result, it does not allow fullerene molecules to intercalate between the polymer side-chains. Gaining insight into the detailed fullerene intercalation mechanism is important for the development of organic photovoltaic diodes (PVDs).

Discriminating between Different Heavy Metal Ions with Fullerene-Derived Nanoparticles

Directory of Open Access Journals (Sweden)

Erica Ciotta

2018-05-01

Full Text Available A novel type of graphene-like nanoparticle, synthesized by oxidation and unfolding of C60 buckminsterfullerene fullerene, showed multiple and reproducible sensitivity to Cu2+, Pb2+, Cd2+, and As(III through different degrees of fluorescence quenching or, in the case of Cd2+, through a remarkable fluorescence enhancement. Most importantly, only for Cu2+ and Pb2+, the fluorescence intensity variations came with distinct modifications of the optical absorption spectrum. Time-resolved fluorescence study confirmed that the common origin of these diverse behaviors lies in complexation of the metal ions by fullerene-derived carbon layers, even though further studies are required for a complete explanation of the involved processes. Nonetheless, the different response of fluorescence and optical absorbance towards distinct cationic species makes it possible to discriminate between the presence of Cu2+, Pb2+, Cd2+, and As(III, through two simple optical measurements. To this end, the use of a three-dimensional calibration plot is discussed. This property makes fullerene-derived nanoparticles a promising material in view of the implementation of a selective, colorimetric/fluorescent detection system.

Electrolysis of acidic sodium chloride solution with a graphite anode. I. Graphite electrode

NARCIS (Netherlands)

Janssen, L.J.J.; Hoogland, J.G.

1969-01-01

A graphite anode evolving Cl from a chloride soln. is slowly oxidized to CO and CO2. This oxidn. causes a change in the characteristics of the electrode in aging, comprising a change of the nature of the graphite surface and an increase of the surface area. It appears that a new graphite electrode

Electrochemical treatment of graphite

Energy Technology Data Exchange (ETDEWEB)

Podlovilin, V.I.; Egorov, I.M.; Zhernovoj, A.I.

1983-01-01

In the course of investigating various modes of electrochemical treatment (ECT) it has been found that graphite anode treatment begins under the ''glow mode''. A behaviour of some marks of graphite with the purpose of ECT technique development in different electrolytes has been tested. Electrolytes have been chosen of three types: highly alkaline (pH 13-14), neutral (pH-Z) and highly acidic (pH 1-2). For the first time parallel to mechanical electroerosion treatment, ECT of graphite and carbon graphite materials previously considered chemically neutral is proposed. ECT of carbon graphite materials has a number of advantages as compared with electroerrosion and mechanical ones with respect to the treatment rate and purity (ronghness) of the surface. A small quantity of sludge (6-8%) under ECT is in highly alkali electrolytes.

Charge-associated effects of fullerene derivatives on microbialstructural integrity and central metabolism

Energy Technology Data Exchange (ETDEWEB)

Tang, Yinjie J.; Ashcroft, Jared M.; Chen, Ding; Min, Guangwei; Kim, Chul; Murkhejee, Bipasha; Larabell, Carolyn; Keasling, Jay D.; Chen,Fanqing Frank

2007-01-23

The effects of four types of fullerene compounds (C60,C60-OH, C60-COOH, C60-NH2) were examined on two model microorganisms(Escherichia coli W3110 and Shewanella oneidensis MR-1). Positivelycharged C60-NH2 at concentrations as low as 10 mg/L inhibited growth andreduced substrate uptake for both microorganisms. Scanning ElectronMicroscopy (SEM) revealed damage to cellular structures.Neutrally-charged C60 and C60-OH had mild negative effects on S.oneidensis MR-1, whereas the negatively-charged C60-COOH did not affecteither microorganism s growth. The effect of fullerene compounds onglobal metabolism was further investigated using [3-13C]L-lactateisotopic labeling, which tracks perturbations to metabolic reaction ratesin bacteria by examining the change in the isotopic labeling pattern inthe resulting metabolites (often amino acids).1-3 The 13C isotopomeranalysis from all fullerene-exposed cultures revealed no significantdifferences in isotopomer distributions from unstressed cells. Thisresult indicates that microbial central metabolism is robust toenvironmental stress inflicted by fullerene nanoparticles. In addition,although C60-NH2 compounds caused mechanical stress on the cell wall ormembrane, both S. oneidensis MR-1 and E. coli W3110 can efficientlyalleviate such stress by cell aggregation and precipitation of the toxicnanoparticles. The results presented here favor the hypothesis thatfullerenes cause more membrane stress4, 5, 6 than perturbation to energymetabolism7

Fullerene derivatives as components for 'plastic' photovoltaic cells

NARCIS (Netherlands)

Hummelen, J.C.; Knol, J.; Kadish, KM; Ruoff, RS

1998-01-01

Derivatives of [60]fullerene, mixed with conducting polymers to yield donor-acceptor bulk-heterojunction (beta-junction) materials, are useful in 'plastic' photovoltaic devices. In order to enhance the charge carrier mobilities in the two individual interpenetrating networks, one important goal of

Thermodynamics of association of water soluble fullerene derivatives

Indian Academy of Sciences (India)

SONANKI KESHRI

2017-08-31

Aug 31, 2017 ... Entropic and enthalpic contributions to the association of solute molecules are calculated ... authors.7,46–70 The association of fullerene in aque- ous media is ..... The main mechanism accounting for the stabiliza- tion of the ...

Electric field dependent photocurrent generation in a thin-film organic photovoltaic device with a [70]fullerene-benzodifuranone dyad.

Science.gov (United States)

Ulmann, Pirmin A; Tanaka, Hideyuki; Matsuo, Yutaka; Xiao, Zuo; Soga, Iwao; Nakamura, Eiichi

2011-12-21

A [70]fullerene-benzodifuranone acceptor dyad synthesized by a Ag⁺-mediated coupling reaction was used to construct a thin-film organic solar cell. The fullerene and the benzodifuranone dye in the dyad have close-lying LUMO levels in the range of 3.7-3.9 eV, so that energy transfer from the dye to the fullerene can take place. A p-n heterojunction photovoltaic device consisting of a tetrabenzoporphyrin and a [70]fullerene-benzodifuranone dyad showed a weak but discernible contribution from light absorption of the dyad to the photocurrent under both a positive and a negative effective bias. These results indicate that the benzodifuranone moiety attached to the acceptor contributes to light-harvesting by energy transfer.

Bulk Heterojunction Solar Cells: Impact of Minor Structural Modifications to the Polymer Backbone on the Polymer-Fullerene Mixing and Packing and on the Fullerene-Fullerene Connecting Network

KAUST Repository

Wang, Tonghui

2018-01-25

The morphology of the active layer of a bulk heterojunction solar cell, made of a blend of an electron-donating polymer and an electron-accepting fullerene derivative, is known to play a determining role in device performance. Here, a combination of molecular dynamics simulations and long-range corrected density functional theory calculations is used to elucidate the molecular-scale effects that even minor structural changes to the polymer backbone can have on the “local” morphology; this study focuses on the extent of polymer–fullerene mixing, on their packing, and on the characteristics of the fullerene–fullerene connecting network in the mixed regions, aspects that are difficult to access experimentally. Three representative polymer donors are investigated: (i) poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3′″-di(2-octyldodecyl)-2,2′;5′,2″;5″,2′″-quaterthiophen-5,5′″-diyl)] (PffBT4T-2OD); (ii) poly[(2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3′″-di(2-octyldodecyl)-2,2′;5′,2″;5″,2′″-quaterthiophen-5,5′″-diyl)] (PBT4T-2OD), where the fluorine atoms in the benzothiadiazole moieties of PffBT4T-2OD are replaced with hydrogen atoms; and (iii) poly[(2,2′-bithiophene)-alt-(4,7-bis((2-decyltetradecyl)thiophen-2-yl)-5,6-difluoro-2-propyl-2H-benzo[d][1,2,3]triazole)] (PT2-FTAZ), where the sulfur atoms in the benzothiadiazole moieties of PffBT4T-2OD are replaced with nitrogen atoms carrying a linear C3H7 side-chain; these polymers are mixed with the phenyl-C71-butyric acid methyl ester (PC71BM) acceptor. This study also discusses the nature of the charge-transfer electronic states appearing at the donor–acceptor interfaces, the electronic couplings relevant for the charge-recombination process, and the electron-transfer features between neighboring PC71BM molecules.

Bulk Heterojunction Solar Cells: Impact of Minor Structural Modifications to the Polymer Backbone on the Polymer-Fullerene Mixing and Packing and on the Fullerene-Fullerene Connecting Network

KAUST Repository

Wang, Tonghui; Chen, Xiankai; Ashokan, Ajith; Zheng, Zilong; Ravva, Mahesh Kumar; Bré das, Jean-Luc

2018-01-01

The morphology of the active layer of a bulk heterojunction solar cell, made of a blend of an electron-donating polymer and an electron-accepting fullerene derivative, is known to play a determining role in device performance. Here, a combination of molecular dynamics simulations and long-range corrected density functional theory calculations is used to elucidate the molecular-scale effects that even minor structural changes to the polymer backbone can have on the “local” morphology; this study focuses on the extent of polymer–fullerene mixing, on their packing, and on the characteristics of the fullerene–fullerene connecting network in the mixed regions, aspects that are difficult to access experimentally. Three representative polymer donors are investigated: (i) poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3′″-di(2-octyldodecyl)-2,2′;5′,2″;5″,2′″-quaterthiophen-5,5′″-diyl)] (PffBT4T-2OD); (ii) poly[(2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3′″-di(2-octyldodecyl)-2,2′;5′,2″;5″,2′″-quaterthiophen-5,5′″-diyl)] (PBT4T-2OD), where the fluorine atoms in the benzothiadiazole moieties of PffBT4T-2OD are replaced with hydrogen atoms; and (iii) poly[(2,2′-bithiophene)-alt-(4,7-bis((2-decyltetradecyl)thiophen-2-yl)-5,6-difluoro-2-propyl-2H-benzo[d][1,2,3]triazole)] (PT2-FTAZ), where the sulfur atoms in the benzothiadiazole moieties of PffBT4T-2OD are replaced with nitrogen atoms carrying a linear C3H7 side-chain; these polymers are mixed with the phenyl-C71-butyric acid methyl ester (PC71BM) acceptor. This study also discusses the nature of the charge-transfer electronic states appearing at the donor–acceptor interfaces, the electronic couplings relevant for the charge-recombination process, and the electron-transfer features between neighboring PC71BM molecules.

Thermally Stable Bulk Heterojunction Prepared by Sequential Deposition of Nanostructured Polymer and Fullerene

Directory of Open Access Journals (Sweden)

Heewon Hwang

2017-09-01

Full Text Available A morphologically-stable polymer/fullerene heterojunction has been prepared by minimizing the intermixing between polymer and fullerene via sequential deposition (SqD of a polymer and a fullerene solution. A low crystalline conjugated polymer of PCPDTBT (poly[2,6-(4,4-bis-(2-ethylhexyl-4H-cyclopenta [2,1-b;3,4-b′]dithiophene-alt-4,7(2,1,3-benzothiadiazole] has been utilized for the polymer layer and PC71BM (phenyl-C71-butyric-acid-methyl ester for the fullerene layer, respectively. Firstly, a nanostructured PCPDTBT bottom layer was developed by utilizing various additives to increase the surface area of the polymer film. The PC71BM solution was prepared by dissolving it in the 1,2-dichloroethane (DCE, exhibiting a lower vapor pressure and slower diffusion into the polymer layer. The deposition of the PC71BM solution on the nanostructured PCPDTBT layer forms an inter-digitated bulk heterojunction (ID-BHJ with minimized intermixing. The organic photovoltaic (OPV device utilizing the ID-BHJ photoactive layer exhibits a highly reproducible solar cell performance. In spite of restricted intermixing between the PC71BM and the PCPDTBT, the efficiency of ID-BHJ OPVs (3.36% is comparable to that of OPVs (3.87% prepared by the conventional method (deposition of a blended solution of polymer:fullerene. The thermal stability of the ID-BHJ is superior to the bulk heterojunction (BHJ prepared by the conventional method. The ID-BHJ OPV maintains 70% of its initial efficiency after thermal stress application for twelve days at 80 °C, whereas the conventional BHJ OPV maintains only 40% of its initial efficiency.

Graphite-graphite oxide composite electrode for vanadium redox flow battery

International Nuclear Information System (INIS)

Li Wenyue; Liu Jianguo; Yan Chuanwei

2011-01-01

Highlights: → A new composite electrode is designed for vanadium redox flow battery (VRB). → The graphite oxide (GO) is used as electrode reactions catalyst. → The excellent electrode activity is attributed to the oxygen-containing groups attached on the GO surface. → A catalytic mechanism of the GO towards the redox reactions is presumed. - Abstract: A graphite/graphite oxide (GO) composite electrode for vanadium redox battery (VRB) was prepared successfully in this paper. The materials were characterized with X-ray diffraction, X-ray photoelectron spectroscopy and scanning electron microscopy. The specific surface area was measured by the Brunauer-Emmett-Teller method. The redox reactions of [VO 2 ] + /[VO] 2+ and V 3+ /V 2+ were studied with cyclic voltammetry and electrochemical impedance spectroscopy. The results indicated that the electrochemical performances of the electrode were improved greatly when 3 wt% GO was added into graphite electrode. The redox peak currents of [VO 2 ] + /[VO] 2+ and V 3+ /V 2+ couples on the composite electrode were increased nearly twice as large as that on the graphite electrode, and the charge transfer resistances of the redox pairs on the composite electrode are also reduced. The enhanced electrochemical activity could be ascribed to the presence of plentiful oxygen functional groups on the basal planes and sheet edges of the GO and large specific surface areas introduced by the GO.

Physicochemical Characterization and Thermodynamic Studies of Nanoemulsion-Based Transdermal Delivery System for Fullerene

Directory of Open Access Journals (Sweden)

Cheng Loong Ngan

2014-01-01

Full Text Available Fullerene nanoemulsions were formulated in palm kernel oil esters stabilized by low amount of mixed nonionic surfactants. Pseudoternary phase diagrams were established in the colloidal system of PKOEs/Tween 80 : Span 80/water incorporated with fullerene as antioxidant. Preformulation was subjected to combination of high and low energy emulsification methods and the physicochemical characteristics of fullerene nanoemulsions were analyzed using electroacoustic spectrometer. Oil-in-water (O/W nanoemulsions with particle sizes in the range of 70–160 nm were formed. The rheological characteristics of colloidal systems exhibited shear thinning behavior which fitted well into the power law model. The effect of xanthan gum (0.2–1.0%, w/w and beeswax (1–3%, w/w in the estimation of thermodynamics was further studied. From the energetic parameters calculated for the viscous flow, a moderate energy barrier for transport process was observed. Thermodynamic study showed that the enthalpy was positive in all xanthan gum and beeswax concentrations indicating that the formation of nanoemulsions could be endothermic in nature. Fullerene nanoemulsions with 0.6% or higher xanthan gum content were found to be stable against creaming and flocculation when exposed to extreme environmental conditions.

[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…

J-V and C-V investigation of the effect of small molecular fullerene and non-fullerene acceptors for CH3NH3PbI3 perovskite solar cell

Science.gov (United States)

Zheng, Yanqiong; Wang, Chao; Yu, Junle; Yang, Fang; Zhang, Jing; Wei, Bin; Li, Weishi

2017-11-01

To find the ideal acceptors for perovskite solar cells (PSCs) and get insight into the dielectric property at the interface between perovskite and acceptor, series of small molecular fullerene and non-fullerene acceptors were comparatively investigated. Fullerene acceptors based PSCs show higher performance than non-fullerene acceptors based PSCs. However, the perylene tetracarboxylic diimide based PSC has achieved a η PCE of 4.70%, implying that it is a promising acceptor candidate for PSCs because of its suitable energy level, high electron mobility, and smooth surface. By employing double acceptors of (6,6)-phenyl-C61-butyric acid methyl ester (PCBM)/C60 or PCBM/3,4,9,10-perylenetetracarboxylic bisbenzimidazole, the PSC stability is greatly improved even without performance enhancement. The perovskite (Pero)/PCBM film shows smooth surface, suggesting that PCBM penetrates into the Pero layer. The hydrophobicity trend of Pero/acceptor composite films is same as the device performance by judging from the water contact angle, and Pero/PCBM as well as Pero/C60 show higher hydrophobicity than other Pero/small-molecular-acceptor composite films. Capacitance-voltage characteristics of the series of single and double acceptor based PSCs were measured. The double acceptor based PSCs show larger depletion layer width (W d) than single acceptor based PSCs. Meanwhile, the defect density (N A) in Pero layer for single acceptor based PSCs is larger than that for double acceptor based PSCs, implying better n-doping of Pero layer by using a single acceptor.

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)

Thakur, P.; Kumar, Amit; Gautam, S.; Chae, K.H.

2011-01-01

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 A g (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.

Removal of 14C from Irradiated Graphite for Graphite Recycle and Waste Volume Reduction

International Nuclear Information System (INIS)

Dunzik-Gougar, Mary Lou; Windes, Will; Marsden, Barry

2014-01-01

The aim of the research presented here was to identify the chemical form of 14 C in irradiated graphite. A greater understanding of the chemical form of this longest-lived isotope in irradiated graphite will inform not only management of legacy waste, but also development of next generation gas-cooled reactors. Approximately 250,000 metric tons of irradiated graphite waste exists worldwide, with the largest single quantity originating in the Magnox and AGR reactors of UK. The waste quantity is expected to increase with decommissioning of Generation II reactors and deployment of Generation I gas-cooled, graphite moderated reactors. Of greatest concern for long-term disposal of irradiated graphite is carbon-14 14 C, with a half-life of 5730 years.

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

The main topic of my thesis was the optical spectroscopy of accepters for organic bulk-heterojunction polymer-fullerene solar cells in the visible till near-infrared regime. Pure fullerene samples as well as blends of fullerenes with polymers were studied. Additionally measurements regarding the morphology, spin states and solar cell performance were done. The aims were to determine the ability of new molecules as acceptors for organic solar cells, to find and understand the photoinduced absorption signatures of optical excited anions on fullerene bulks of different sizes and finally to learn about the charge carrier generation process in polymer:Lu{sub 3}N rate at C{sub 80} blends and thus understand the origin of the comparable low current density in this devices, about 25 % less than for P3HT:PC{sub 61}BM solar cells. In our publications due to these topics we presented that the novel C{sub 70}-C{sub 70} dimer fullerenes are fine acceptors for polymer:fullerene solar cells, showing a better absorption coefficient around 500 nm than C{sub 60} based acceptors and high singlet-exciton quenching rates. Anion signatures for fullerene molecules of different sizes were clearly found for C{sub 60{sup -}} at 1.18 eV and for C{sub 70{sup -}} at 0.92 eV. Less clear are my findings regarding the signatures for C{sub 80{sup -}} and C{sub 84{sup -}}. Due to the low signal-to-noise ratio in these measurements and some unique properties of the available materials I was only able to indicate a range from 0.7 eV down to 0.4 eV for the optically detected anion signatures of these fullerenes. Still all fullerenes showed a red shift to lower energies for the anion signatures getting stronger the more carbon atoms the fullerenes were made of. The most detailed research in this thesis was done about the Lu{sub 3}N rate at C{sub 80} molecules application as electron acceptor in P3HT:Lu{sub 3}N rate at C{sub 80} solar cells. The use of this acceptor in combination with P3HT lead to a

Nuclear graphite wear properties and estimation of graphite dust production in HTR-10

Energy Technology Data Exchange (ETDEWEB)

Luo, Xiaowei, E-mail: xwluo@tsinghua.edu.cn; Wang, Xiaoxin; Shi, Li; Yu, Xiaoyu; Yu, Suyuan

2017-04-15

Highlights: • Graphite dust. • The wear properties of graphite. • Pebble bed. • High Temperature Gas-cooled Reactor. • Fuel element. - Abstract: The issue of the graphite dust has been a research focus for the safety of High Temperature Gas-cooled Reactors (HTGRs), especially for the pebble bed reactors. Most of the graphite dust is produced from the wear of fuel elements during cycling of fuel elements. However, due to the complexity of the motion of the fuel elements in the pebble bed, there is no systematic method developed to predict the amount the graphite dust in a pebble bed reactor. In this paper, the study of the flow of the fuel elements in the pebble bed was carried out. Both theoretical calculation and numerical analysis by Discrete Element Method (DEM) software PFC3D were conducted to obtain the normal forces and sliding distances of the fuel elements in pebble bed. The wearing theory was then integrated with PFC3D to estimate the amount of the graphite dust in a pebble bed reactor, 10 MW High Temperature gas-cooled test Reactor (HTR-10).

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.

Graphite in Science and Nuclear Technology

OpenAIRE

Zhmurikov, Evgenij

2015-01-01

This review is devoted to the application of graphite and graphite composites in the science and technology. Structure and electrical properties, technological aspects of producing of high-strength artificial graphite and dynamics of its destruction are considered. These type of graphite are traditionally used in the nuclear industry, so author concentrates on actual problems of application and testing of graphite materials in modern science and technology. Translated from chapters 1 of monog...

Effect of thermal annealing on property changes of neutron-irradiated non-graphitized carbon materials and nuclear graphite

International Nuclear Information System (INIS)

Matsuo, Hideto

1991-06-01

Changes in dimension of non-graphitized carbon materials and nuclear graphite, and the bulk density, electrical resistivity, Young's modulus and thermal expansivity of nuclear graphite were studied after neutron irradiation at 1128-1483 K and the successive thermal annealing up to 2573 K. Carbon materials showed larger and anisotropic dimensional shrinkage than that of nuclear graphite after the irradiation. The irradiation-induced dimensional shrinkage of carbon materials decreased during annealing at temperatures from 1773 to 2023 K, followed by a slight increase at higher temperatures. On the other hand, the irradiated nuclear graphite hardly showed the changes in length, density and thermal expansivity under the thermal annealing, but the electrical resistivity and Young's modulus showed a gradual decrease with annealing temperature. It has been clarified that there exists significant difference in the effect of thermal annealing on irradiation-induced dimensional shrinkage between graphitized nuclear graphite and non-graphitized carbon materials. (author)

Chemical stabilization of graphite surfaces

Energy Technology Data Exchange (ETDEWEB)

Bistrika, Alexander A.; Lerner, Michael M.

2018-04-03

Embodiments of a device, or a component of a device, including a stabilized graphite surface, methods of stabilizing graphite surfaces, and uses for the devices or components are disclosed. The device or component includes a surface comprising graphite, and a plurality of haloaryl ions and/or haloalkyl ions bound to at least a portion of the graphite. The ions may be perhaloaryl ions and/or perhaloalkyl ions. In certain embodiments, the ions are perfluorobenzenesulfonate anions. Embodiments of the device or component including stabilized graphite surfaces may maintain a steady-state oxidation or reduction surface current density after being exposed to continuous oxidation conditions for a period of at least 1-100 hours. The device or component is prepared by exposing a graphite-containing surface to an acidic aqueous solution of the ions under oxidizing conditions. The device or component can be exposed in situ to the solution.

Analysis of Wigner energy release process in graphite stack of shut-down uranium-graphite reactor

OpenAIRE

Bespala, E. V.; Pavliuk, A. O.; Kotlyarevskiy, S. G.

2015-01-01

Data, which finding during thermal differential analysis of sampled irradiated graphite are presented. Results of computational modeling of Winger energy release process from irradiated graphite staking are demonstrated. It's shown, that spontaneous combustion of graphite possible only in adiabatic case.

The roles of geometry and topology structures of graphite fillers on thermal conductivity of the graphite/aluminum composites

Energy Technology Data Exchange (ETDEWEB)

Zhou, C.; Chen, D.; Zhang, X.B. [State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240 (China); Chen, Z., E-mail: zhe.chen@sjtu.edu.cn [State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240 (China); Zhong, S.Y.; Wu, Y. [State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240 (China); Ji, G. [Unité Matériaux et Transformations, CNRS UMR 8207, Université Lille 1, Villeneuve d' Ascq 59655 (France); Wang, H.W. [State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240 (China)

2015-02-20

Various graphite fillers, such as graphite particles, graphite fibers, graphite flakes and porous graphite blocks, have been successfully incorporated into an Al alloy by squeeze casting in order to fabricate graphite/Al composites with enhanced thermal conductivity (TC). Microstructural characterization by X-ray diffraction and scanning electron microscopy has revealed a tightly-adhered, clean and Al{sub 4}C{sub 3}-free interface between the graphite fillers and the Al matrix in all the as-fabricated composites. Taking the microstructural features into account, we generalized the corresponding predictive models for the TCs of these composites with the effective medium approximation and the Maxwell mean-field scheme, which both show good agreement with the experimental data. The roles of geometry and topology structures of graphite fillers on the TCs of the composites were further discussed. - Highlights: • The thermal enhancement of various graphite fillers with different topology structures. • Predictive models for the thermal conductivity of different topology structures. • Oriented flakes alignment has the high potentials for thermal enhancement.

Fullerene nanoparticles in soil: Analysis, occurrence and fate

NARCIS (Netherlands)

Carboni, A.

2016-01-01

Fullerenes are carbon-based nanomaterials that can occur in the environment due to both natural events and human production. Recently, the increasing use in novel nanotechnologies raised concern for the possible adverse effects on humans and the environment. However, the assessment is complicated by

Raman spectroelectrochemistry of ordered C-60 fullerene layers

Czech Academy of Sciences Publication Activity Database

Krause, M.; Deutsch, D.; Dunsch, L.; Janda, Pavel; Kavan, Ladislav

2005-01-01

Roč. 13, - (2005), s. 159-166 ISSN 1536-383X R&D Projects: GA AV ČR IAA4040306 Institutional research plan: CEZ:AV0Z40400503 Keywords : fullerenes * thin films * nanostructuring * Raman spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 0.776, year: 2005

Management of radioactive waste in nuclear power: handling of irradiated graphite from water-cooled graphite reactors

International Nuclear Information System (INIS)

Anfimov, S.S.

2001-01-01

In this paper an radioactive waste processing of graphite from graphite moderated nuclear reactors at its decommissioning is discussed. Methods of processing of irradiated graphite are presented. It can be concluded that advanced methods for graphite radioactive waste handling are available nowadays. Implementation of these methods will allow to enhance environmental safety of nuclear power that will benefit its progress in the future

Electron scattering on metal clusters and fullerenes

International Nuclear Information System (INIS)

Solov'yov, A.V.

2001-01-01

This paper gives a survey of physical phenomena manifesting themselves in electron scattering on atomic clusters. The main emphasis is made on electron scattering on fullerenes and metal clusters, however some results are applicable to other types of clusters as well. This work is addressed to theoretical aspects of electron-cluster scattering, however some experimental results are also discussed. It is demonstrated that the electron diffraction plays important role in the formation of both elastic and inelastic electron scattering cross sections. It is elucidated the essential role of the multipole surface and volume plasmon excitations in the formation of electron energy loss spectra on clusters (differential and total, above and below ionization potential) as well as the total inelastic scattering cross sections. Particular attention is paid to the elucidation of the role of the polarization interaction in low energy electron-cluster collisions. This problem is considered for electron attachment to metallic clusters and the plasmon enhanced photon emission. Finally, mechanisms of electron excitation widths formation and relaxation of electron excitations in metal clusters and fullerenes are discussed. (authors)

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.

Bromine intercalated graphite for lightweight composite conductors

KAUST Repository

Amassian, Aram

2017-07-20

A method of fabricating a bromine-graphite/metal composite includes intercalating bromine within layers of graphite via liquid-phase bromination to create brominated-graphite and consolidating the brominated-graphite with a metal nanopowder via a mechanical pressing operation to generate a bromine-graphite/metal composite material.

On the possibility of considering the fullerene shell C{sub 60} as a conducting sphere

Energy Technology Data Exchange (ETDEWEB)

Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Ioffe Physical-Technical Institute, St. Petersburg 194021 (Russian Federation); Baltenkov, A.S. [Arifov Institute of Electronics, Tashkent 700125 (Uzbekistan)]. E-mail: arkbalt@mail.ru

2006-12-25

The dynamical and static dipole polarizabilities of the C{sub 60} molecule have been calculated on the basis of the experimental data on the cross section of the fullerene photoabsorption. It has been shown that the fullerene shell in the static electric field behaves most likely as a set of separate carbon atoms rather than as a conducting sphere.

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

International Nuclear Information System (INIS)

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

2016-01-01

We study the electronic structure of C 60 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 C 60 -pyrrolidine [6,6], where the pyrrolidine is attached at a [6,6] site, have larger electron affinities relative to the pristine C 60 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-C 61 -butyric acid methyl ester (PCBM)-P3MT complex.

Rate-dependent mode I interlaminar crack growth mechanisms in graphite/epoxy and graphite/PEEK

Science.gov (United States)

Gillespie, J. W., Jr.; Carlsson, L. A.; Smiley, A. J.

1987-01-01

In this paper the mode I fracture behavior of graphite/epoxy and graphite/PEEK composites is examined over four decades of crosshead rates (0.25-250 mm/min). Straight-sided double-cantilever-beam specimens consisting of unidirectional laminates were tested at room temperature. For graphite/epoxy the load-deflection response was linear to fracture, and stable slow crack growth initiating at the highest load level was observed for all rates tested. In contrast, mode I crack growth in the graphite/PEEK material was often unstable and showed stick-slip behavior. Subcritical crack growth occurring prior to the onset of fracture was observed at intermediate displacement rates. A mechanism for the fracture behavior of the graphite/PEEK material (based on viscoelastic, plastic, and microcrack coalescence in the process zone) is proposed and related to the observed rate-dependent phenomena.

Quantifying microstructural dynamics and electrochemical activity of graphite and silicon-graphite lithium ion battery anodes

Science.gov (United States)

Pietsch, Patrick; Westhoff, Daniel; Feinauer, Julian; Eller, Jens; Marone, Federica; Stampanoni, Marco; Schmidt, Volker; Wood, Vanessa

2016-09-01

Despite numerous studies presenting advances in tomographic imaging and analysis of lithium ion batteries, graphite-based anodes have received little attention. Weak X-ray attenuation of graphite and, as a result, poor contrast between graphite and the other carbon-based components in an electrode pore space renders data analysis challenging. Here we demonstrate operando tomography of weakly attenuating electrodes during electrochemical (de)lithiation. We use propagation-based phase contrast tomography to facilitate the differentiation between weakly attenuating materials and apply digital volume correlation to capture the dynamics of the electrodes during operation. After validating that we can quantify the local electrochemical activity and microstructural changes throughout graphite electrodes, we apply our technique to graphite-silicon composite electrodes. We show that microstructural changes that occur during (de)lithiation of a pure graphite electrode are of the same order of magnitude as spatial inhomogeneities within it, while strain in composite electrodes is locally pronounced and introduces significant microstructural changes.

Critical review of the molecular design progress in non-fullerene electron acceptors towards commercially viable organic solar cells

KAUST Repository

Wadsworth, Andrew; Moser, Maximilian; Marks, Adam; Little, Mark S.; Gasparini, Nicola; Brabec, Christoph J.; Baran, Derya; McCulloch, Iain

2018-01-01

Fullerenes have formed an integral part of high performance organic solar cells over the last 20 years, however their inherent limitations in terms of synthetic flexibility, cost and stability have acted as a motivation to develop replacements; the so-called non-fullerene electron acceptors. A rapid evolution of such materials has taken place over the last few years, yielding a number of promising candidates that can exceed the device performance of fullerenes and provide opportunities to improve upon the stability and processability of organic solar cells. In this review we explore the structure-property relationships of a library of non-fullerene acceptors, highlighting the important chemical modifications that have led to progress in the field and provide an outlook for future innovations in electron acceptors for use in organic photovoltaics.

Critical review of the molecular design progress in non-fullerene electron acceptors towards commercially viable organic solar cells

KAUST Repository

Wadsworth, Andrew

2018-04-26

Fullerenes have formed an integral part of high performance organic solar cells over the last 20 years, however their inherent limitations in terms of synthetic flexibility, cost and stability have acted as a motivation to develop replacements; the so-called non-fullerene electron acceptors. A rapid evolution of such materials has taken place over the last few years, yielding a number of promising candidates that can exceed the device performance of fullerenes and provide opportunities to improve upon the stability and processability of organic solar cells. In this review we explore the structure-property relationships of a library of non-fullerene acceptors, highlighting the important chemical modifications that have led to progress in the field and provide an outlook for future innovations in electron acceptors for use in organic photovoltaics.

Erosion of pyrolytic graphite and Ti-doped graphite due to high flux irradiation

International Nuclear Information System (INIS)

Ohtsuka, Yusuke; Ohashi, Junpei; Ueda, Yoshio; Isobe, Michiro; Nishikawa, Masahiro

1997-01-01

The erosion of pyrolytic graphite and titanium doped graphite RG-Ti above 1,780 K was investigated by 5 keV Ar beam irradiation with the flux from 4x10 19 to 1x10 21 m -2 ·s -1 . The total erosion yields were significantly reduced with the flux. This reduction would be attributed to the reduction of RES (radiation enhanced sublimation) yield, which was observed in the case of isotropic graphite with the flux dependence of RES yield of φ -0.26 (φ: flux) obtained in our previous work. The yield of pyrolytic graphite was roughly 30% higher than that of isotropic graphite below the flux of 10 20 m -2 ·s -1 whereas each yield approached to very close value at the highest flux of 1x10 21 m -2 ·s -1 . This result indicated that the effect of graphite structure on the RES yield, which was apparent in the low flux region, would disappear in the high flux region probably due to the disordering of crystal structure. In the case of irradiation to RG-Ti at 1,780 K, the surface undulations evolved with a mean height of about 3 μm at 1.2x10 20 m -2 ·s -1 , while at higher flux of 8.0x10 20 m -2 ·s -1 they were unrecognizable. These phenomena can be explained by the reduction of RES of graphite parts excluding TiC grains. (author)

Properties of the fullerene C_6_0-containing PN Lin49 in the SMC; Explanations of strong near-IR excess

International Nuclear Information System (INIS)

Otsuka, Masaaki; Kemper, Francisca; Leal-Ferreira, Marcelo L.; Aleman, Isabel; Ochsendorf, Bram; Bernard-Salas, Jeronimo; Cami, Jan; Peeters, Els

2016-01-01

We performed a detailed spectroscopic analysis of the fullerene C_6o-containing planetary nebula (PN) Lin49 in the Small Magellanic Cloud (SMC). Lin49 is a C-rich and metal- deficient PN (Z∼⃒0.0006) and its nebular abundances are in agreement with the AGB model for the initially 1.25M_☉ stars with the metallicity Z = 0.001 of Fishlock et al. (2014, [1]). By stellar absorption fitting with TLUSTY, we derived stellar abundances, effective temperature, and surface gravity. We constructed the photo-ionization model with CLOUDY in order to investigate physical conditions of Lin49. The model with the 0.005-0.1 μm radius graphite and a constant hydrogen density shell could not fit the ∼⃒1-5 μm SED owing to the strong near-IR excess. We propose that the near-IR excess indicates (1) the presence of extremely small carbon molecules or (2) the presence of high-density structure surrounding the central star. (paper)

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.

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

International Nuclear Information System (INIS)

Varanasi, S. R.; John, A.; Guskova, O. A.; Sommer, J.-U.

2015-01-01

Fullerene C 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 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 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

New insights in low-energy electron-fullerene interactions

Science.gov (United States)

Msezane, Alfred Z.; Felfli, Zineb

2018-03-01

The robust Regge-pole methodology has been used to probe for long-lived metastable anionic formation in Cn (n = 20, 24, 26, 28, 44, 70, 92 and 112) through the calculated electron elastic scattering total cross sections (TCSs). All the TCSs are found to be characterized by Ramsauer-Townsend minima, shape resonances and dramatically sharp resonances manifesting metastable anionic formation during the collisions. The energy positions of the anionic ground states resonances are found to match the measured electron affinities (EAs). We also investigated the size-effect through the correlation and polarization induced metastable resonances as the fullerene size varied from C20 through C112. The C20 TCSs exhibit atomic behavior while the C112 TCSs demonstrate strong departure from atomic behavior attributed to the size effect. Surprisingly C24 is found to have the largest EA among the investigated fullerenes making it suitable for use in organic solar cells and nanocatalysis.

Recompressed exfoliated graphite articles

Science.gov (United States)

Zhamu, Aruna; Shi, Jinjun; Guo, Jiusheng; Jang, Bor Z

2013-08-06

This invention provides an electrically conductive, less anisotropic, recompressed exfoliated graphite article comprising a mixture of (a) expanded or exfoliated graphite flakes; and (b) particles of non-expandable graphite or carbon, wherein the non-expandable graphite or carbon particles are in the amount of between about 3% and about 70% by weight based on the total weight of the particles and the expanded graphite flakes combined; wherein the mixture is compressed to form the article having an apparent bulk density of from about 0.1 g/cm.sup.3 to about 2.0 g/cm.sup.3. The article exhibits a thickness-direction conductivity typically greater than 50 S/cm, more typically greater than 100 S/cm, and most typically greater than 200 S/cm. The article, when used in a thin foil or sheet form, can be a useful component in a sheet molding compound plate used as a fuel cell separator or flow field plate. The article may also be used as a current collector for a battery, supercapacitor, or any other electrochemical cell.

The effect of synthesis time on graphene growth from palm oil as green carbon precursor

Energy Technology Data Exchange (ETDEWEB)

Salifairus, M. J., E-mail: salifairus-mj85@yahoo.co.uk [NANO-SciTech Centre (NST), Institute of Science, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); Faculty of Applied Sciences, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); NANO-ElecTronic Centre - Faculty of Electrical Engineering, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); Hamid, S. B. Abd [Nanotechnology and Catalysis Research Centre (NANOCAT) Universiti Malaya - UM, 50603 Kuala Lumpur (Malaysia); Alrokayan, Salman A. H.; Khan, Haseeb A. [Department of Biochemistry, College of Science King Saud University (KSU), Riyadh 11451 (Saudi Arabia); Rusop, M., E-mail: nanouitm@gmail.com [NANO-SciTech Centre (NST), Institute of Science, Universiti Teknologi MARA (UiTM), 40450 Shah Alam, Selangor (Malaysia); NANO-ElecTronic Centre - Faculty of Electrical Engineering, Universiti Teknologi MARA - UiTM, 40450 Shah Alam, Selangor (Malaysia)

2016-07-06

Graphene is the new material that arises after carbon nanotubes (CNTs) era and has extraordinary optical, electronic and mechanical properties compared to CNTs. The 2D graphene is the sp{sup 2} carbon allotropes compared to other dimensionality. It also can be in three forms that are zero-dimensional, one-dimensional or three-dimensional. The different dimensionality also called fullerenes, nanotubes and graphite. Therefore, the graphene is known as centre potential materials in expanding research area than others ever. The 2 cm × 2 cm silicon wafer was seeded with nickel (Ni) at different thickness by using sputter coater. The palm oil, carbon source, was placed in the precursor furnace and the silicon was placed in the second furnace (deposition furnace). The palm oil will mix with Nitrogen gas was used as carrier gas in the CVD under certain temperature and pressure to undergo pyrolysis proses. The deposition temperature was set at 1000 °C. The deposition time varied from 3 minutes, 5 minutes and 7 minutes. The graphene was growth at ambient pressure in the CVD system. Electron microscopy and Raman Spectrometer revealed the structural properties and surface morphology of the grapheme on the substrate. The D and G band appear approximately at 1350 cm{sup −1} and 1850 cm{sup −1}. It can be concluded that the growth of graphene varies at different deposition time.

Metal/graphite-composite materials for fusion device

International Nuclear Information System (INIS)

Kneringer, G.; Kny, E.; Fischer, W.; Reheis, N.; Staffler, R.; Samm, U.; Winter, J.

1995-01-01

The utilization of graphite as a structural material depends to an important extent on the availability of a joining technique suitable for the production of reliable large scale metal/graphite-composites. This study has been conducted to evaluate vacuum brazes and procedures for graphite and metals which can be used in fusion applications up to about 1500 degree C. The braze materials included: AgCuTi, CuTi, NiTi, Ti, ZrTi, Zr. Brazing temperatures ranged from 850 degree C to 1900 degree C. The influence of graphite quality on wettability and pore-penetration of the braze has been investigated. Screening tests of metal/graphite-assemblies with joint areas exceeding some square-centimeters have shown that they can only successfully be produced when graphite is brazed to a metal, such as tungsten or molybdenum with a coefficient of thermal expansion closely matching that of graphite. Therefore all experimental work on evaluation of joints has been concentrated on molybdenum/graphite brazings. The tensile strength of molybdenum/graphite-composites compares favorably with the tensile strength of bulk graphite from room temperature close to the melting temperature of the braze. In electron beam testing the threshold damage line for molybdenum/graphite-composites has been evaluated. Results show that even composites with the low melting AgCuTi-braze are expected to withstand 10 MW/m 2 power density for at least 10 3 cycles. Limiter testing in TEXTOR shows that molybdenum/graphite-segments with 3 mm graphite brazed on molybdenum-substrate withstand severe repeated TEXTOR plasma discharge conditions without serious damage. Results prove that actively cooled components on the basis of a molybdenum/graphite-composite can sustain a higher heat flux than bulk graphite alone. (author)

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.

Melting temperature of graphite

International Nuclear Information System (INIS)

Korobenko, V.N.; Savvatimskiy, A.I.

2001-01-01

Full Text: Pulse of electrical current is used for fast heating (∼ 1 μs) of metal and graphite specimens placed in dielectric solid media. Specimen consists of two strips (90 μm in thick) placed together with small gap so they form a black body model. Quasy-monocrystal graphite specimens were used for uniform heating of graphite. Temperature measurements were fulfilled with fast pyrometer and with composite 2-strip black body model up to melting temperature. There were fulfilled experiments with zirconium and tungsten of the same black body construction. Additional temperature measurements of liquid zirconium and liquid tungsten are made. Specific heat capacity (c P ) of liquid zirconium and of liquid tungsten has a common feature in c P diminishing just after melting. It reveals c P diminishing after melting in both cases over the narrow temperature range up to usual values known from steady state measurements. Over the next wide temperature range heat capacity for W (up to 5000 K) and Zr (up to 4100 K) show different dependencies of heat capacity on temperature in liquid state. The experiments confirmed a high quality of 2-strip black body model used for graphite temperature measurements. Melting temperature plateau of tungsten (3690 K) was used for pyrometer calibration area for graphite temperature measurement. As a result, a preliminary value of graphite melting temperature of 4800 K was obtained. (author)

Reduction of conspicuous facial pores by topical fullerene: possible role in the suppression of PGE2 production in the skin

OpenAIRE

Inui, Shigeki; Mori, Ayako; Ito, Masayuki; Hyodo, Sayuri; Itami, Satoshi

2014-01-01

Background Conspicuous facial pores are therapeutic targets for cosmeceuticals. Here we examine the effect of topical fullerene on conspicuous facial pores using a new image analyser called the VISIA® system. Ten healthy Japanese females participated in this study, and they received applications of 1% fullerene lotion to the face twice a day for 8 weeks. Findings Fullerene lotion significantly decreased conspicuous pores by 17.6% (p 

Pentacene–fullerene bulk-heterojunction solar cell: A computational study

Energy Technology Data Exchange (ETDEWEB)

Pramanik, Anup [Department of Chemistry, Visva-Bharati University, Santiniketan 731235 (India); Sarkar, Sunandan [Department of Chemistry, Visva-Bharati University, Santiniketan 731235 (India); Dept. of Physical Chemistry, Palacký University, Olomouc (Czech Republic); Pal, Sougata [Department of Chemistry, University of Gour Banga, Malda 732103 (India); Sarkar, Pranab, E-mail: pranab.sarkar@visva-bharati.ac.in [Department of Chemistry, Visva-Bharati University, Santiniketan 731235 (India)

2015-06-12

We perform DFT/TDDFT calculations to study the optoelectronic properties of some pentacene-based organic molecules and their derivatives, which can serve as donor moiety when blended with fullerene acceptors in the bulk-heterojunction solar cell model. We are motivated by a recent experiment in which an unoptimized device was shown to have a good photovoltaic performance and we aim to further improve the efficiency of this device. We try to optimize the photovoltaic properties on the basis of a quantum-mechanical calculation of the frontier energy levels and of the absorption properties of individual molecules and of the molecule–fullerine composite. - Highlights: • Optoelectronic properties of pentacene–fullerene nanocomposites are presented. • Photovoltaic properties of the nanocomposites are predicted. • DFT/TDDFT results are in well agreement with available experimental results. • Calculated results give a direction for optimizing device performance.

Morphology control of polymer: Fullerene solar cells by nanoparticle self-assembly

Science.gov (United States)

Zhang, Wenluan

During the past two decades, research in the field of polymer based solar cells has attracted great effort due to their simple processing, mechanical flexibility and potential low cost. A standard polymer solar cell is based on the concept of a bulk-heterojunction composed of a conducting polymer as the electron donor and a fullerene derivative as the electron acceptor. Since the exciton lifetime is limited, this places extra emphasis on control of the morphology to obtain improved device performance. In this thesis, detailed characterization and novel morphological design of polymer solar cells was studied, in addition, preliminary efforts to transfer laboratory scale methods to industrialized device fabrication was made. Magnetic contrast neutron reflectivity was used to study the vertical concentration distribution of fullerene nanoparticles within poly(2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2- b]thiophene (pBTTT) thin film. Due to the wide space between the side chains of polymer, these fullerene nanoparticles intercalate between them creating a stable co-crystal structure. Therefore, a high volume fraction of fullerene was needed to obtain optimal device performance as phase separated conductive pathways are required and resulted in a homogeneous fullerene concentration profile through the film. Small angle neutron scattering was used to find there is amorphous fullerene even at lower concentration since it was previously believed that all fullerene formed a co-crystal. These fullerene molecules evolve into approximately 15 nm sized agglomerates at higher concentrations to improve electron transport. Unfortunately, thermal annealing gives these agglomerates mobility to form micrometer sized crystals and reduce the device performance. In standard poly(3-hexylthiophene) (P3HT):[6,6]-phenyl-C61-butyric acid methyl ester (PCMBM) solar cells, a higher concentration of PCBM at the cathode interface is desired due to the band alignment structure. This was

Characterization of Ignalina NPP RBMK Reactors Graphite

International Nuclear Information System (INIS)

Hacker, P.J.; Neighbour, G.B.; Levinskas, R.; Milcius, D.

2001-01-01

The paper concentrates on the investigations of the initial physical properties of graphite used in production of graphite bricks of Ignalina NPP. These graphite bricks are used as nuclear moderator and major core structural components. Graphite bulk density is calculated by mensuration, pore volumes are measured by investigation of helium gas penetration in graphite pore network, the Young's modulus is determined using an ultrasonic time of flight method, the coefficient of thermal expansion is determined using a Netzsch dilatometer 402C, the fractured and machined graphite surfaces are studied using SEM, impurities are investigated qualitatively by EDAX, the degree of graphitization of the material is tested using X-ray diffraction. (author)

Self-assembled nitrogen-doped fullerenes and their catalysis for fuel cell and rechargeable metal-air battery applications.

Science.gov (United States)

Noh, Seung Hyo; Kwon, Choah; Hwang, Jeemin; Ohsaka, Takeo; Kim, Beom-Jun; Kim, Tae-Young; Yoon, Young-Gi; Chen, Zhongwei; Seo, Min Ho; Han, Byungchan

2017-06-08

In this study, we report self-assembled nitrogen-doped fullerenes (N-fullerene) as non-precious catalysts, which are active for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), and thus applicable for energy conversion and storage devices such as fuel cells and metal-air battery systems. We screen the best N-fullerene catalyst at the nitrogen doping level of 10 at%, not at the previously known doping level of 5 or 20 at% for graphene. We identify that the compressive surface strain induced by doped nitrogen plays a key role in the fine-tuning of catalytic activity.

AGC-2 Graphite Preirradiation Data Package

Energy Technology Data Exchange (ETDEWEB)

David Swank; Joseph Lord; David Rohrbaugh; William Windes

2012-10-01

The NGNP Graphite R&D program is currently establishing the safe operating envelope of graphite core components for a Very High Temperature Reactor (VHTR) design. The program is generating quantitative data necessary for predicting the behavior and operating performance of the new nuclear graphite grades. To determine the in-service behavior of the graphite for pebble bed and prismatic designs, the Advanced Graphite Creep (AGC) experiment is underway. This experiment is examining the properties and behavior of nuclear grade graphite over a large spectrum of temperatures, neutron fluences and compressive loads. Each experiment consists of over 400 graphite specimens that are characterized prior to irradiation and following irradiation. Six experiments are planned with the first, AGC-1, currently being irradiated in the Advanced Test Reactor (ATR) and pre-irradiation characterization of the second, AGC-2, completed. This data package establishes the readiness of 512 specimens for assembly into the AGC-2 capsule.

Adsorption and possible dissociation of glucose by the [BN fullerene-B6]- magnetic nanocomposite. In silico studies

Science.gov (United States)

Anota, E. Chigo; Villanueva, M. Salazar; Shakerzadeh, E.; Castro, M.

2018-02-01

The adsorption, activation and possible dissociation of the glucose molecule on the magnetic [BN fullerene-B6]- system is performed by means of density functional theory calculations. Three models of magnetic nanocomposites were inspected: i) pristine BN fullerene, BN fullerene functionalized with a magnetic B6 cluster which generates two structures: ii) pyramidal (P) and iii) triangular (T). Chemical interactions of glucose appear for all these cases; however, for the BNF:B6(T)—glucose system, the interaction generates an effect of dissociation on glucose, due to the magnetic effects, since it has high spin multiplicity. The latter nanocomposite shows electronic behavior like-conductor and like-semi-conductor for the P and T geometries, respectively. Intrinsic magnetism associated to values of 1.0 magneton bohr (µB) for the pyramidal and 5.0 µB for the triangular structure, high polarity, and low-chemical reactivity are found for these systems. These interesting properties make these functionalized fullerenes a good option for being used as nano-vehicles for drug delivery. These quantum descriptors remain invariant when the [BN]-fullerene and [BNF:B6 (P) or (T)]- nanocomposites are interacting with the glucose molecule. According to the determined adsorption energy, chemisorption regimes occur in both the phases: gas and aqueous medium.

Study of the nickel-fullerene nano-structured thin films

Czech Academy of Sciences Publication Activity Database

Vacík, Jiří; Naramoto, H.; Narumi, K.; Yamamoto, S.; Abe, H.

2004-01-01

Roč. 219, č. 20 (2004), s. 862-866 ISSN 0168-583X Institutional research plan: CEZ:AV0Z1048901 Keywords : nickel * fullerene * magnesium oxide Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.997, year: 2004

Bromine intercalated graphite for lightweight composite conductors

KAUST Repository

Amassian, Aram; Patole, Archana

2017-01-01

A method of fabricating a bromine-graphite/metal composite includes intercalating bromine within layers of graphite via liquid-phase bromination to create brominated-graphite and consolidating the brominated-graphite with a metal nanopowder via a

Metal/graphite - composites in fusion engineering

International Nuclear Information System (INIS)

Staffler, R.; Kneringer, G.; Kny, E.; Reheis, N.

1995-01-01

Metal/graphite composites have been well known in medical industry for many years. X-ray tubes used in modern radiography, particulary in computerized tomography are equipped with rotating targets able to absorb a maximum of heat in a given time. Modern rotating targets consist of a refractory metal/graphite composite. Today the use of graphite as a plasma facing material is one predominant concept in fusion engineering. Depending on the thermal load, the graphite components have to be directly cooled (i.e. divertor plates) or inertially cooled (i.e. firstwall tiles). In case of direct cooling a metallurgical joining such as high temperature brazing between graphite and a metalic cooling structure shows the most promising results /1/. Inertially cooled graphite tiles have to be joined to a metallic backing plate in order to get a stable attachment to the supporting structure. The main requirements on the metallic partner of a metal/graphite composite and in the first wall area are: high melting point, high thermal strength, high thermal conductivity, low vapour pressure and a thermal expansion matching that of graphite. These properties are typical for the refractory metals such as molybdenum, tungsten and their alloys. (author)

On new allotropes and nanostructures of carbon nitrides

OpenAIRE

Bojdys, Michael Janus

2010-01-01

In the first section of the thesis graphitic carbon nitride was for the first time synthesised using the high-temperature condensation of dicyandiamide (DCDA) – a simple molecular precursor – in a eutectic salt melt of lithium chloride and potassium chloride. The extent of condensation, namely next to complete conversion of all reactive end groups, was verified by elemental microanalysis and vibrational spectroscopy. TEM- and SEM-measurements gave detailed insight into the well-defined morpho...

Nuclear graphite for high temperature reactors

International Nuclear Information System (INIS)

Marsden, B.J.

2001-01-01

The cores and reflectors in modern High Temperature Gas Cooled Reactors (HTRs) are constructed from graphite components. There are two main designs; the Pebble Bed design and the Prism design. In both of these designs the graphite not only acts as a moderator, but is also a major structural component that may provide channels for the fuel and coolant gas, channels for control and safety shut off devices and provide thermal and neutron shielding. In addition, graphite components may act as a heat sink or conduction path during reactor trips and transients. During reactor operation, many of the graphite component physical properties are significantly changed by irradiation. These changes lead to the generation of significant internal shrinkage stresses and thermal shut down stresses that could lead to component failure. In addition, if the graphite is irradiated to a very high irradiation dose, irradiation swelling can lead to a rapid reduction in modulus and strength, making the component friable.The irradiation behaviour of graphite is strongly dependent on its virgin microstructure, which is determined by the manufacturing route. Nevertheless, there are available, irradiation data on many obsolete graphites of known microstructures. There is also a well-developed physical understanding of the process of irradiation damage in graphite. This paper proposes a specification for graphite suitable for modern HTRs. (author)