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

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

KAUST Repository

Sweetnam, Sean

2014-10-08

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

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.

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.

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.

Sequentially solution-processed, nanostructured polymer photovoltaics using selective solvents

KAUST Repository

Kim, Do Hwan; Mei, Jianguo; Ayzner, Alexander L.; Schmidt, Kristin; Giri, Gaurav; Appleton, Anthony L.; Toney, Michael F.; Bao, Zhenan

2014-01-01

We demonstrate high-performance sequentially solution-processed organic photovoltaics (OPVs) with a power conversion efficiency (PCE) of 5% for blend films using a donor polymer based on the isoindigo-bithiophene repeat unit (PII2T-C10C8) and a fullerene derivative [6,6]-phenyl-C[71]-butyric acid methyl ester (PC71BM). This has been accomplished by systematically controlling the swelling and intermixing processes of the layer with various processing solvents during deposition of the fullerene. We find that among the solvents used for fullerene deposition that primarily swell but do not re-dissolve the polymer underlayer, there were significant microstructural differences between chloro and o-dichlorobenzene solvents (CB and ODCB, respectively). Specifically, we show that the polymer crystallite orientation distribution in films where ODCB was used to cast the fullerene is broad. This indicates that out-of-plane charge transport through a tortuous transport network is relatively efficient due to a large density of inter-grain connections. In contrast, using CB results in primarily edge-on oriented polymer crystallites, which leads to diminished out-of-plane charge transport. We correlate these microstructural differences with photocurrent measurements, which clearly show that casting the fullerene out of ODCB leads to significantly enhanced power conversion efficiencies. Thus, we believe that tuning the processing solvents used to cast the electron acceptor in sequentially-processed devices is a viable way to controllably tune the blend film microstructure. © 2014 The Royal Society of Chemistry.

Ultimate performance of polymer: Fullerene bulk heterojunction tandem solar cells

NARCIS (Netherlands)

Kotlarski, J.D.; Blom, P.W.M.

2011-01-01

We present the model calculations to explore the potential of polymer:fullerene tandem solar cells. As an approach we use a combined optical and electrical device model, where the absorption profiles are used as starting point for the numerical current-voltage calculations. With this model a maximum

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.

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

Directory of Open Access Journals (Sweden)

Yoonhee Jang

2015-08-01

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

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.

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.

Bipolar polaron pair recombination in polymer/fullerene solar cells

DEFF Research Database (Denmark)

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

2015-01-01

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

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).

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.

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.

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.

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.

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

KAUST Repository

Baran, Derya

2015-08-10

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

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

KAUST Repository

Baran, Derya; Vezie, Michelle S; Gasparini, Nicola; Deledalle, Florent; Yao, Jizhong; Schroeder, Bob C.; Bronstein, Hugo; Ameri, Tayebeh; Kirchartz, Thomas; McCulloch, Iain; Nelson, Jenny; Brabec, Christoph J

2015-01-01

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

Fullerene derivative-doped zinc oxide nanofilm as the cathode of inverted polymer solar cells with low-bandgap polymer (PTB7-Th) for high performance.

Science.gov (United States)

Liao, Sih-Hao; Jhuo, Hong-Jyun; Cheng, Yu-Shan; Chen, Show-An

2013-09-14

Modification of a ZnO cathode by doping it with a hydroxyl-containing derivative - giving a ZnO-C60 cathode - provides a fullerene-derivative-rich surface and enhanced electron conduction. Inverted polymer solar cells with the ZnO-C60 cathode display markedly improved power conversion efficiency compared to those with a pristine ZnO cathode, especially when the active layer includes the low-bandgap polymer PTB7-Th. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Design Principles in Polymer-Fullerene BHJ Solar Cells: PBDTTPD as a Case Study

KAUST Repository

Beaujuge, Pierre

2015-06-29

Among Organic Electronics, solution-processable π-conjugated polymers are proving particularly promising in bulk-heterojunction (BHJ) solar cells with fullerene acceptors such as PCBM.[1] In recent years, great headway has been made in the development of efficient polymer donors across the community, with published power conversion efficiencies (PCE) >8% in single cells and >10% in tandems. In most reports, these systems involve elaborate repeat unit and side chain patterns, and deviating from those patterns induces substantial drops in device PCE. While the range of polymer design parameters that impact BHJ solar cell performance remains a matter of some debate, our recent developments indicate that the combination of side-chain substituents appended to the main chain critically impacts polymer performance. For example, in poly(benzo[1,2-b:4,5-b’]dithiophene–thieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD), side-chain substituents of various size and branching impart distinct molecular packing distances (i.e., π–π stacking and lamellar spacing), varying degrees of nanostructural order in thin films, and preferential backbone orientation relative to the device substrate.[2-5] While these structural variations seem to correlate with BHJ solar cell performance, with power conversion efficiencies ranging from 4% to 8.5%,[2,3] we believe that other contributing parameters – such as the local conformations between the polymer and the fullerene, and the domain distribution/composition across the BHJ (i.e., pure/mixed phases) – should also be taken into account.[6,7] Other discrete modifications of PBDTTPD’s molecular structure affect polymer performance in BHJ solar cells with PCBM, and our recent developments emphasize how systematic structure-property relationship studies impact the design of efficient polymer donors for BHJ solar cell applications.[8-10] It is important to further our understanding of these effects as we look to continue improving BHJ solar

High performance all polymer solar cells fabricated via non-halogenated solvents (Presentation Recording)

Science.gov (United States)

Zhou, Yan; Bao, Zhenan

2015-10-01

The performance of organic solar cells consisting of a donor/acceptor bulk heterojunction (BHJ) has rapidly improved over the past few years.1. Major efforts have been focused on developing a variety of donor materials to gain access to different regions of the solar spectrum as well as to improve carrier transport properties.2 On the other hand, the most utilized acceptors are still restricted to the fullerene family, which includes PC61BM, PC71BM and ICBA.2b, 3 All-polymer solar cells, consisting of polymers for both the donor and acceptor, gained significantly increased interests recently, because of their ease of solution processing, potentially low cost, versatility in molecular design, and their potential for good chemical and morphological stability due to entanglement of polymers. Unlike small molecular fullerene acceptors, polymer acceptors can benefit from the high mobility of intra-chain charge transport and exciton generation by both donor and acceptor. Despite extensive efforts on all-polymer solar cells in the past decade, the fundamental understanding of all-polymer solar cells is still in its inceptive stage regarding both the materials chemistry and structure physics.4 Thus, rational design rules must be utilized to enable fundamental materials understanding of the all polymer solar cells. We report high performance all-polymer solar cells employing polymeric donors based on isoindigo and acceptor based on perylenedicarboximide. The phase separation domain length scale correlates well with the JSC and is found to be highly sensitive to the aromatic co-monomer structures used in the crystalline donor polymers. With the PS polymer side chain engineering, the phase separation domain length scale decreased by more than 45%. The PCE and JSC of the devices increased accordingly by more than 20%. A JSC as high as 10.0 mA cm-2 is obtained with the donor-acceptor pair despite of a low LUMO-LUMO energy offset of less than 0.1 eV. All the factors such as

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

Photoinduced partial charge transfer between conjugated polymer and fullerene in solutions

International Nuclear Information System (INIS)

Lin Hongzhen; Weng Yufeng; Huang Hongmin; He Qingguo; Zheng Min; Bai Fenglian

2004-01-01

Photoinduced charge transfer between a conjugated polymer and C 60 and the related processes were investigated in dilute solutions. The substantial fluorescence quenching is correlated with the efficient exciton diffusion within the polymer chains, according to which a sphere-of-action mechanism is proposed. An emissive exciplex was found formed between the conjugated polymer and fullerene in a nonpolar solvent, indicating the occurrence of a photoinduced partial charge transfer process. The low-energy sites in the polymer are believed to play a crucial role in the partial charge transfer. The asymmetry of the exciplex provides a method for evaluating the tendency of photoinduced charge separation between the donor and the acceptor. This method allows screening candidates for photovoltaic applications

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.)

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.

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)

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.

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.

Factors Governing Intercalation of Fullerenes and Other Small Molecules Between the Side Chains of Semiconducting Polymers Used in Solar Cells

KAUST Repository

Miller, Nichole Cates

2012-08-22

While recent reports have established signifi cant miscibility in polymer:fullerene blends used in organic solar cells, little is actually known about why polymers and fullerenes mix and how their mixing can be controlled. Here, X-ray diffraction (XRD), differential scanning calorimetry (DSC), and molecular simulations are used to study mixing in a variety of polymer:molecule blends by systematically varying the polymer and smallmolecule properties. It is found that a variety of polymer:fullerene blends mix by forming bimolecular crystals provided there is suffi cient space between the polymer side chains to accommodate a fullerene. Polymer:tetrafl uoro-tetracyanoquinodimethane (F4-TCNQ) bimolecular crystals were also observed, although bimolecular crystals did not form in the other studied polymer:nonfullerene blends, including those with both conjugated and non-conjugated small molecules. DSC and molecular simulations demonstrate that strong polymer-fullerene interactions can exist, and the calculations point to van der Waals interactions as a signifi cant driving force for molecular mixing. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The effect of side-chain substitution and hot processing on diketopyrrolopyrrole-based polymers for organic solar cells

NARCIS (Netherlands)

Heintges, G.H.L.; Leenaers, P.J.; Janssen, R.A.J.

2017-01-01

The effects of cold and hot processing on the performance of polymer-fullerene solar cells are investigated for diketopyrrolopyrrole (DPP) based polymers that were specifically designed and synthesized to exhibit a strong temperature-dependent aggregation in solution. The polymers, consisting of

Advanced materials and processes for polymer solar cell devices

DEFF Research Database (Denmark)

Petersen, Martin Helgesen; Søndergaard, Roar; Krebs, Frederik C

2010-01-01

The rapidly expanding field of polymer and organic solar cells is reviewed in the context of materials, processes and devices that significantly deviate from the standard approach which involves rigid glass substrates, indium-tin-oxide electrodes, spincoated layers of conjugated polymer/fullerene...... be performing less than the current state-of-the-art in their present form but that may have the potential to outperform these pending a larger investment in effort....

Photoinduced charge separation at polymer-fullerene interfaces of BHJ solar cells (Conference Presentation)

Science.gov (United States)

Poluektov, Oleg G.; Niklas, Jens; Mardis, Kristy

2016-09-01

While photovoltaic cells are highly promising man-made devices for direct solar energy utilization, a number of fundamental questions about how the organic bulk heterojunction cell enables efficient long-lived and long-range charge separation remain unanswered. These questions were address by employing an advanced suite of EPR spectroscopy in combination with DFT calculations to study mechanism of charge separation at the polymer-fullerene interfaces of photo-active BHJ. Observed charge delocalization in BHJ upon photoinduced ET is analogous to that in organic donor-acceptor material. This is an efficient mechanism of charge stabilization in photosynthetic assemblies. Time-resolved EPR spectra show a strong polarization pattern for all polymer-fullerene blends under study, which is caused by non-Boltzmann population of the electron spin energy levels in the radical pairs. The first observation of this phenomenon was reported in natural and artificial photosynthetic assemblies, and comparison with these systems allows us to better understand charge separation processes in OPVs. The spectral analysis presented here, in combination with DFT calculations, shows that CS processes in OPV materials are similar to that in organic photosynthetic systems. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Contract DE-AC02-06CH11357 at Argonne National Laboratory.

Semi-flexible polymer engendered aggregation/dispersion of fullerene (C60) nano-particles: An atomistic investigation

Science.gov (United States)

Kumar, Sunil; Pattanayek, Sudip K.

2018-06-01

Semi flexible polymer chain has been modeled by choosing various values of persistent length (stiffness). As the polymer chain stiffness increases, the shape of polymer chain changes from globule to extended cigar to toroid like structure during cooling from a high temperature. The aggregation of fullerene nano-particles is found to depend on the morphology of polymer chain. To maximize, the number of polymer bead-nanoparticle contacts, all nano-particle have positioned inside the polymer globule. To minimize, the energy penalty, due to bending of the polymer chain, all nano-particle have positioned on the surface of the polymer's cigar and toroid morphology.

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

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.

Polaron pair mediated triplet generation in polymer/fullerene blends

KAUST Repository

Dimitrov, Stoichko D.; Wheeler, Scot; Niedzialek, Dorota; Schroeder, Bob C.; Utzat, Hendrik; Frost, Jarvist M.; Yao, Jizhong; Gillett, Alexander; Tuladhar, Pabitra S.; McCulloch, Iain; Nelson, Jenny; Durrant, James R.

2015-01-01

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

Polaron pair mediated triplet generation in polymer/fullerene blends

KAUST Repository

Dimitrov, Stoichko D.

2015-03-04

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

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

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.

Photoinduced FT-IR spectroscopy and CW-photocurrent measurements of conjugated polymers and fullerenes blended into a conventional polymer matrix

NARCIS (Netherlands)

Brabec, C.J.; Johannson, H.; Padinger, F.; Neugebauer, H.; Hummelen, J.C.; Sariciftci, N.S.

2000-01-01

In this work we present an investigation of the photoexcited states in conjugated polymer (donor) - fullerene (acceptor) interpenetrating networks embedded into conventional polymer hosts like polystyrene (PS), polyvinylcarbazole (PVK) or polyvinylbenzylchloride (PVBC) (guest - host approach), using

Intrinsically Microporous Polymer Membranes for High Performance Gas Separation

KAUST Repository

Swaidan, Raja

2014-11-01

This dissertation addresses the rational design of intrinsically microporous solutionprocessable polyimides and ladder polymers for highly permeable and highly selective gas transport in cornerstone applications of membrane-based gas separation – that is, air enrichment, hydrogen recovery and natural gas sweetening. By virtue of rigid and contorted chains that pack inefficiently in the solid state, polymers of intrinsic microporosity (PIMs) have the potential to unite the solution-processability, mechanical flexibility and organic tunability of commercially relevant polymers with the microporosity characteristics of porous crystalline materials. The performance enhancements of PIMs over conventional low-free-volume polymers have been primarily permeability-driven, compromising the selectivity essential to commercial viability. An approach to unite high permeability with high selectivity for performance transcending the state-of-the-art in air and hydrogen separations was demonstrated via a fused-ring integration of a three-dimensional, shape persistent triptycene moiety optimally substituted with short, branched isopropyl chains at the 9,10-bridgeheads into a highly inflexible backbone. The resulting polymers exhibited selectivities (i.e., O2/N2, H2/N2, H2/CH4) similar to or higher than commercial materials matched with permeabilities up to three hundred times higher. However, the intra-chain rigidity central to such conventional PIM-design principles was not a singular solution to suppression of CO2-induced plasticization in CO2/CH4 mixedgas separations. Plasticization diminishes the sieving capacity of the membrane, resulting in costly hydrocarbon losses that have significantly limited the commercialization of new polymers. Unexpectedly, the most permeable and selective PIMs designed for air and hydrogen separations strongly plasticized in 50:50 CO2/CH4 mixtures, enduring up to three-fold increases in mixed-gas CH4 permeability by 30 bar and strong drops in

Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal

KAUST Repository

Miller, Nichole Cates

2012-09-05

The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which introduce twists and bends along the polymer backbone and 1D electron-conducting fullerene channels. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal

KAUST Repository

Miller, Nichole Cates; Cho, Eunkyung; Junk, Matthias J N; Gysel, Roman; Risko, Chad; Kim, Dongwook; Sweetnam, Sean; Miller, Chad E.; Richter, Lee J.; Kline, Regis Joseph; Heeney, Martin J.; McCulloch, Iain A.; Amassian, Aram; Acevedo-Feliz, Daniel; Knox, Christopher; Hansen, Michael Ryan; Dudenko, Dmytro V.; Chmelka, Bradley F.; Toney, Michael F.; Bré das, Jean Luc; McGehee, Michael D.

2012-01-01

The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which introduce twists and bends along the polymer backbone and 1D electron-conducting fullerene channels. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-Performance All-Polymer Solar Cells Achieved by Fused Perylenediimide-Based Conjugated Polymer Acceptors.

Science.gov (United States)

Yin, Yuli; Yang, Jing; Guo, Fengyun; Zhou, Erjun; Zhao, Liancheng; Zhang, Yong

2018-05-09

We report three n-type polymeric electron acceptors (PFPDI-TT, PFPDI-T, and PFPDI-Se) based on the fused perylene diimide (FPDI) and thieno[3,2- b]thiophene, thiophene, or selenophene units for all-polymer solar cells (all-PSCs). These FPDI-based polymer acceptors exhibit strong absorption between 350 and 650 nm with wide optical bandgap of 1.86-1.91 eV, showing good absorption compensation with the narrow bandgap polymer donor. The lowest unoccupied molecular orbital (LUMO) energy levels were located at around -4.11 eV, which are comparable with those of the fullerene derivatives and other small molecular electron acceptors. The conventional all-PSCs based on the three polymer acceptors and PTB7-Th as polymer donor gave remarkable power conversion efficiencies (PCEs) of >6%, and the PFPDI-Se-based all-PSC achieved the highest PCE of 6.58% with a short-circuit current density ( J sc ) of 13.96 mA/cm 2 , an open-circuit voltage ( V oc ) of 0.76 V, and a fill factor (FF) of 62.0%. More interestingly, our results indicate that the photovoltaic performances of the FPDI-based polymer acceptors are mainly determined by the FPDI unit with a small effect from the comonomers, which is quite different from the others reported rylenediimide-based polymer acceptors. This intriguing phenomenon is speculated as the huge geometry configuration of the FPDI unit, which minimizes the effect of the comonomer. These results highlight a promising future for the application of the FPDI-based polymer acceptors in the highly efficient all-PSCs.

Fully solution-processing route toward highly transparent polymer solar cells.

Science.gov (United States)

Guo, Fei; Kubis, Peter; Stubhan, Tobias; Li, Ning; Baran, Derya; Przybilla, Thomas; Spiecker, Erdmann; Forberich, Karen; Brabec, Christoph J

2014-10-22

We report highly transparent polymer solar cells using metallic silver nanowires (AgNWs) as both the electron- and hole-collecting electrodes. The entire stack of the devices is processed from solution using a doctor blading technique. A thin layer of zinc oxide nanoparticles is introduced between photoactive layer and top AgNW electrode which plays decisive roles in device functionality: it serves as a mechanical foundation which allows the solution-deposition of top AgNWs, and more importantly it facilitates charge carriers extraction due to the better energy level alignment and the formation of ohmic contacts between the active layer/ZnO and ZnO/AgNWs. The resulting semitransparent polymer:fullerene solar cells showed a power conversion efficiency of 2.9%, which is 72% of the efficiency of an opaque reference device. Moreover, an average transmittance of 41% in the wavelength range of 400-800 nm is achieved, which is of particular interest for applications in transparent architectures.

Small Molecule Acceptor and Polymer Donor Crystallinity and Aggregation Effects on Microstructure Templating: Understanding Photovoltaic Response in Fullerene-Free Solar Cells

Energy Technology Data Exchange (ETDEWEB)

Eastham, Nicholas D.; Dudnik, Alexander S.; Aldrich, Thomas J.; Manley, Eric F.; Fauvell, Thomas J.; Hartnett, Patrick E.; Wasielewski, Michael R.; Chen, Lin X.; Melkonyan, Ferdinand S.; Facchetti, Antonio; Chang, Robert P. H.; Marks, Tobin J.

2017-05-10

Perylenediimide (PDI) small molecule acceptor (SMA) crystallinity and donor polymer aggregation and crystallinity effects on bulk-heterojunction microstructure and polymer solar cell (PSC) performance are systematically investigated. Two highperformance polymers, semicrystalline poly[5-(2-hexyldodecyl)-4Hthieno[3,4-c]pyrrole-4,6(5H)-dione-1,3-yl-alt-4,4''dodecyl-2,2':5',2''- terthiophene-5,5''-diyl] (PTPD3T or D1) and amorphous poly{4,8- bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene- 2,6-diyl-alt-(4-(2-ethylhexyl)-3-fluorothieno[3,4-b]thiophene-2-carboxylate-2,6-diyl) (PBDTT-FTTE or D2), are paired with three PDI-based SMAs (A1-A3) of differing crystallinity (A1 is the most, A3 is the least crystalline). The resulting PSC performance trends are strikingly different from those of typical fullerene-based PSCs and are highly material-dependent. The present trends reflect synergistic aggregation propensities between the SMA and polymer components. Importantly, the active layer morphology is templated by the PDI in some blends and by the polymer in others, with the latter largely governed by the polymer aggregation. Thus, PTPD3T templating capacity increases as self-aggregation increases (greater Mn), optimizing PSC performance with A2, while A3-based cells exhibit an inverse relationship between polymer aggregation and performance, which is dramatically different from fullerene-based PSCs. For PBDTT-FTTE, A2-based cells again deliver the highest PCEs of ~5%, but here both A2 and PBDTT-FTTE (medium Mn) template the morphology. Overall, the present results underscore the importance of nonfullerene acceptor aggregation for optimizing PSC performance and offer guidelines for pairing SMAs with acceptable donor polymers.

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.

Photovoltaic properties of conjugated polymer/fullerene composites on large area flexible substrates

Directory of Open Access Journals (Sweden)

Desta Gebeyehu

2000-06-01

Full Text Available In this paper we present measurements of the photovoltaic response of bulk donor-acceptor heterojunction between the conjugated polymer, poly(3-octylthiophene, P3OT, (as a donor, D and fullerene (methanofullerene, (as acceptor, A, deposited between indium tin oxide and aluminum electrodes. The innovation involves the substrate, which is a polymer foil instead of glass. These devices are based on ultrafast, reversible, metastable photoinduced electron transfer and charge separation. We also present the efficiency and stability studies on large area (6 cm x 6 cm flexible plastic solar cells with monochromatic energy conversion efficiency (e of about 1.5% and carrier collection efficiency of nearly 20%. Further more, we have investigated the surface network morphology of these films layers by atomic force microscope (AFM. The development of solar cells based on composites of organic conjugated semi-conducting polymers with fullerene derivatives can provide a new method in the exploitation of solar energy.

A novel conductive-polymer-based integration process for high-performance flip-chip packages

Science.gov (United States)

Lohokare, Saurabh

Conductive polymers have recently attracted considerable attention for low-temperature fabrication of lead-free, reworkable, and flexible flip-chip interconnects. Using these materials, I demonstrate in this thesis a process that enables low-cost and high-resolution flip-chip interconnects using conventional micro-fabrication techniques. This fabrication process offers improved performance as compared to conventional flip-chip techniques, such as screen-printing, and allows for definition of interconnects with excellent surface uniformity and control over the bump profile. In order to demonstrate the utility and wide applicability of this process, several test implementations that serve as case studies were investigated. Specifically, novel InGaAsSb avalanche photodiodes (APDs), operating around lambda = 2m and targeted for free-space communication and biomedical spectroscopy applications, were fabricated and flip-chip-integrated to test the static electrical characteristics of the polymer bumps. Additionally, the dynamic electrical performance characteristics of the polymer bumps were studied by using AlGaAsSb/AlGaSb p-i-n photodetectors as a case study. The fabrication of these photodetectors, operating around lambda = 1.55mum and targeted for optical communication applications, was accomplished using a customized inductively coupled plasma (ICP) etch process that resulted in a low dark current and excellent speed (3dB bandwidth of 10GHz) and, responsivity (60% external quantum efficiency) characteristics. Furthermore, flip-chip integration was used to demonstrate a three-dimensional, point-to-point micro-optical interconnect, which was 2.33mm-long in a system 15.27mm3 in volume. Lastly, high-speed parallel optical interconnects were demonstrated using polymer-flip-chip-integrated 10GHz vertical-cavity surface-emitting laser (VCSEL) and DOEs. Such interconnects offer the ability to alleviate the communication bottleneck that is projected to occur in future, high-performance

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

Thieno[3,4-c]Pyrrole-4,6-Dione-Based Polymer Acceptors for High Open-Circuit Voltage All-Polymer Solar Cells

KAUST Repository

Liu, Shengjian

2017-04-20

While polymer acceptors are promising fullerene alternatives in the fabrication of efficient bulk heterojunction (BHJ) solar cells, the range of efficient material systems relevant to the “all-polymer” BHJ concept remains narrow, and currently limits the perspectives to meet the 10% efficiency threshold in all-polymer solar cells. This report examines two polymer acceptor analogs composed of thieno[3,4-c]pyrrole-4,6-dione (TPD) and 3,4-difluorothiophene ([2F]T) motifs, and their BHJ solar cell performance pattern with a low-bandgap polymer donor commonly used with fullerenes (PBDT-TS1; taken as a model system). In this material set, the introduction of a third electron-deficient motif, namely 2,1,3-benzothiadiazole (BT), is shown to (i) significantly narrow the optical gap (Eopt) of the corresponding polymer (by ≈0.2 eV) and (ii) improve the electron mobility of the polymer by over two orders of magnitude in BHJ solar cells. In turn, the narrow-gap P2TPDBT[2F]T analog (Eopt = 1.7 eV) used as fullerene alternative yields high open-circuit voltages (VOC) of ≈1.0 V, notable short-circuit current values (JSC) of ≈11.0 mA cm−2, and power conversion efficiencies (PCEs) nearing 5% in all-polymer BHJ solar cells. P2TPDBT[2F]T paves the way to a new, promising class of polymer acceptor candidates.

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.

Quality control of roll-to-roll processed polymer solar modules by complementary imaging methods

DEFF Research Database (Denmark)

Rösch, R.; Krebs, Frederik C; Tanenbaum, D.M.

2012-01-01

We applied complementary imaging methods to investigate processing failures of roll-to-roll solution processed polymer solar modules based on polymer:fullerene bulk heterojunctions. For investigation of processing deficiencies in solar modules we employed dark lock-in thermography (DLIT......), electroluminescence (ELI) and photoluminescence/reflection imaging (PLI/RI) complemented by optical imaging (OI). The combination of all high resolution images allowed us to allocate the origin of processing errors to a specific deposition process, i.e. the insufficient coverage of an electrode interlayer...

Novel Terthiophene-Substituted Fullerene Derivatives as Easily Accessible Acceptor Molecules for Bulk-Heterojunction Polymer Solar Cells

Directory of Open Access Journals (Sweden)

Filippo Nisic

2014-01-01

Full Text Available Five fulleropyrrolidines and methanofullerenes, bearing one or two terthiophene moieties, have been prepared in a convenient way and well characterized. These novel fullerene derivatives are characterized by good solubility and by better harvesting of the solar radiation with respect to traditional PCBM. In addition, they have a relatively high LUMO level and a low band gap that can be easily tuned by an adequate design of the link between the fullerene and the terthiophene. Preliminary results show that they are potential acceptors for the creation of efficient bulk-heterojunction solar cells based on donor polymers containing thiophene units.

Realization of large area flexible fullerene - conjugated polymer photocells: a route to plastic solar cells

NARCIS (Netherlands)

Brabec, C.J.; Padinger, F.; Hummelen, J.C.; Janssen, R.A.J.; Sariciftci, N.S.

1999-01-01

Bulk donor — acceptor heterojunctions between conjugated polymers and fullerenes have been utilized for photovoltaic devices with quantum efficiencies of around 1%. These devices are based on the photoinduced, ultrafast electron transfer between non degenerate ground state conjugated polymers and

Novel Stable Gel Polymer Electrolyte: Toward a High Safety and Long Life Li-Air Battery.

Science.gov (United States)

Yi, Jin; Liu, Xizheng; Guo, Shaohua; Zhu, Kai; Xue, Hailong; Zhou, Haoshen

2015-10-28

Nonaqueous Li-air battery, as a promising electrochemical energy storage device, has attracted substantial interest, while the safety issues derived from the intrinsic instability of organic liquid electrolytes may become a possible bottleneck for the future application of Li-air battery. Herein, through elaborate design, a novel stable composite gel polymer electrolyte is first proposed and explored for Li-air battery. By use of the composite gel polymer electrolyte, the Li-air polymer batteries composed of a lithium foil anode and Super P cathode are assembled and operated in ambient air and their cycling performance is evaluated. The batteries exhibit enhanced cycling stability and safety, where 100 cycles are achieved in ambient air at room temperature. The feasibility study demonstrates that the gel polymer electrolyte-based polymer Li-air battery is highly advantageous and could be used as a useful alternative strategy for the development of Li-air battery upon further application.

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

Impact of the Nature of the Side-Chains on the Polymer-Fullerene Packing in the Mixed Regions of Bulk Heterojunction Solar Cells

KAUST Repository

Wang, Tonghui; Ravva, Mahesh Kumar; Bredas, Jean-Luc

2016-01-01

Polymer-fullerene packing in mixed regions of a bulk heterojunction solar cell is expected to play a major role in exciton-dissociation, charge-separation, and charge-recombination processes. Here, molecular dynamics simulations are combined with density functional theory calculations to examine the impact of nature and location of polymer side-chains on the polymer-fullerene packing in mixed regions. The focus is on poly-benzo[1,2-b:4,5-b′]dithiophene-thieno[3,4-c]pyrrole-4,6-dione (PBDTTPD) as electron-donating material and [6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) as electron-accepting material. Three polymer side-chain patterns are considered: i) linear side-chains on both benzodithiophene (BDT) and thienopyrroledione (TPD) moieties; ii) two linear side-chains on BDT and a branched side-chain on TPD; and iii) two branched side-chains on BDT and a linear side-chain on TPD. Increasing the number of branched side-chains is found to decrease the polymer packing density and thereby to enhance PBDTTPD–PC61 BM mixing. The nature and location of side-chains are found to play a determining role in the probability of finding PC61BM molecules close to either BDT or TPD. The electronic couplings relevant for the exciton-dissociation and charge-recombination processes are also evaluated. Overall, the findings are consistent with the experimental evolution of the PBDTTPD–PC61BM solar-cell performance as a function of side-chain patterns. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Impact of the Nature of the Side-Chains on the Polymer-Fullerene Packing in the Mixed Regions of Bulk Heterojunction Solar Cells

KAUST Repository

Wang, Tonghui

2016-06-20

Polymer-fullerene packing in mixed regions of a bulk heterojunction solar cell is expected to play a major role in exciton-dissociation, charge-separation, and charge-recombination processes. Here, molecular dynamics simulations are combined with density functional theory calculations to examine the impact of nature and location of polymer side-chains on the polymer-fullerene packing in mixed regions. The focus is on poly-benzo[1,2-b:4,5-b′]dithiophene-thieno[3,4-c]pyrrole-4,6-dione (PBDTTPD) as electron-donating material and [6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) as electron-accepting material. Three polymer side-chain patterns are considered: i) linear side-chains on both benzodithiophene (BDT) and thienopyrroledione (TPD) moieties; ii) two linear side-chains on BDT and a branched side-chain on TPD; and iii) two branched side-chains on BDT and a linear side-chain on TPD. Increasing the number of branched side-chains is found to decrease the polymer packing density and thereby to enhance PBDTTPD–PC61 BM mixing. The nature and location of side-chains are found to play a determining role in the probability of finding PC61BM molecules close to either BDT or TPD. The electronic couplings relevant for the exciton-dissociation and charge-recombination processes are also evaluated. Overall, the findings are consistent with the experimental evolution of the PBDTTPD–PC61BM solar-cell performance as a function of side-chain patterns. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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

KAUST Repository

Ravva, Mahesh Kumar; Wang, Tonghui; Bredas, Jean-Luc

2016-01-01

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

High-Efficiency Fullerene Solar Cells Enabled by a Spontaneously Formed Mesostructured CuSCN-Nanowire Heterointerface

KAUST Repository

Sit, Wai-Yu

2018-02-02

Fullerenes and their derivatives are widely used as electron acceptors in bulk-heterojunction organic solar cells as they combine high electron mobility with good solubility and miscibility with relevant semiconducting polymers. However, studies on the use of fullerenes as the sole photogeneration and charge-carrier material are scarce. Here, a new type of solution-processed small-molecule solar cell based on the two most commonly used methanofullerenes, namely [6,6]-phenyl-C61-butyric acid methyl ester (PC60BM) and [6,6]-phenyl-C71-butyric acid methyl ester (PC70BM), as the light absorbing materials, is reported. First, it is shown that both fullerene derivatives exhibit excellent ambipolar charge transport with balanced hole and electron mobilities. When the two derivatives are spin-coated over the wide bandgap p-type semiconductor copper (I) thiocyanate (CuSCN), cells with power conversion efficiency (PCE) of ≈1%, are obtained. Blending the CuSCN with PC70BM is shown to increase the performance further yielding cells with an open-circuit voltage of ≈0.93 V and a PCE of 5.4%. Microstructural analysis reveals that the key to this success is the spontaneous formation of a unique mesostructured p–n-like heterointerface between CuSCN and PC70BM. The findings pave the way to an exciting new class of single photoactive material based solar cells.

Beyond Donor-Acceptor (D-A) Approach: Structure-Optoelectronic Properties-Organic Photovoltaic Performance Correlation in New D-A1 -D-A2 Low-Bandgap Conjugated Polymers.

Science.gov (United States)

Chochos, Christos L; Drakopoulou, Sofia; Katsouras, Athanasios; Squeo, Benedetta M; Sprau, Christian; Colsmann, Alexander; Gregoriou, Vasilis G; Cando, Alex-Palma; Allard, Sybille; Scherf, Ullrich; Gasparini, Nicola; Kazerouni, Negar; Ameri, Tayebeh; Brabec, Christoph J; Avgeropoulos, Apostolos

2017-04-01

Low-bandgap near-infrared polymers are usually synthesized using the common donor-acceptor (D-A) approach. However, recently polymer chemists are introducing more complex chemical concepts for better fine tuning of their optoelectronic properties. Usually these studies are limited to one or two polymer examples in each case study so far, though. In this study, the dependence of optoelectronic and macroscopic (device performance) properties in a series of six new D-A 1 -D-A 2 low bandgap semiconducting polymers is reported for the first time. Correlation between the chemical structure of single-component polymer films and their optoelectronic properties has been achieved in terms of absorption maxima, optical bandgap, ionization potential, and electron affinity. Preliminary organic photovoltaic results based on blends of the D-A 1 -D-A 2 polymers as the electron donor mixed with the fullerene derivative [6,6]-phenyl-C 71 -butyric acid methyl ester demonstrate power conversion efficiencies close to 4% with short-circuit current densities (J sc ) of around 11 mA cm -2 , high fill factors up to 0.70, and high open-circuit voltages (V oc s) of 0.70 V. All the devices are fabricated in an inverted architecture with the photoactive layer processed in air with doctor blade technique, showing the compatibility with roll-to-roll large-scale manufacturing processes. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Approaches for Making High Performance Polymer Materials from Commodity Polymers

Institute of Scientific and Technical Information of China (English)

Xu Xi

2004-01-01

A brief surrey of ongoing research work done for improving and enhancing the properties of commodity polymers by the author and author's colleagues is given in this paper. A series of high performance polymers and polymer nanomaterials were successfully prepared through irradiation and stress-induced reactions of polymers and hydrogen bonding. The methods proposed are viable, easy in operation, clean and efficient.1. The effect of irradiation source (UV light, electron beam, γ -ray and microwave), irradiation dose, irradiation time and atmosphere etc. on molecular structure of polyolefine during irradiation was studied. The basic rules of dominating oxidation, degradation and cross-linking reactions were mastered. Under the controlled conditions, cross-linking reactions are prevented, some oxygen containing groups are introduced on the molecular chain of polyolefine to facilitate the interface compatibility of their blends. A series of high performance polymer materials: u-HDPE/PA6,u-HDPE/CaCO3, u-iPP/STC, γ-HDPE/STC, γ-LLDPE/ATH, e-HDPE, e-LLDPE and m-HDPEfilled system were prepared (u- ultraviolet light irradiated, γ- γ-ray irradiated, e- electron beam irradiated, m- microwave irradiated)2. The effect of ultrasonic irradiation, jet and pan-milling on structure and changes in properties of polymers were studied. Imposition of critical stress on polymer chain can cause the scission of bonds to form macroradicals. The macroradicals formed in this way may recombine or react with monomer or other radicals to form linear, branched or cross-linked polymers or copolymers. About 20 kinds of block/graft copolymers have been synthesized from polymer-polymer or polymer-monomer through ultrasonic irradiation.Through jet-milling, the molecular weight of PVC is decreased somewhat, the intensity of its crystalline absorption bonds becomes indistinct. The processability, the yield strength, strength at break and elongation at break of PVC get increased quite a lot after

Nanoparticles for dewetting suppression of thin polymer films used in chemical sensors

International Nuclear Information System (INIS)

Holmes, Melissa A.; Mackay, Michael E.; Giunta, Rachel K.

2007-01-01

Addition of fullerenes (C 60 or buckyballs) to a linear polymer has been found to eliminate dewetting when a thin (∼50 nm) film is exposed to solvent vapor. Based on neutron reflectivity measurements, it is found that the fullerenes form a coherent layer approximately 2 nm thick at the substrate - polymer film interface during the spin-coating process. The thickness and relative fullerene concentration (∼29 vol%) is not altered during solvent vapor annealing and it is thought this layer forms a solid-like buffer shielding the adverse van der Waals forces promoted by the underlying substrate. Several polymer films produced by spin- or spray-coating were tested on both silicon wafers and live surface acoustic wave sensors demonstrating fullerenes stabilize many different polymer types, prepared by different procedures and on various surfaces. Further, the fullerenes drastically improve sensor performance since dewetted films produce a sensor that is effectively inoperable

Poly(hydridocarbyne as Highly Processable Insulating Polymer Precursor to Micro/Nanostructures and Graphite Conductors

Directory of Open Access Journals (Sweden)

Aaron M. Katzenmeyer

2009-01-01

Full Text Available Carbon-based electronic materials have received much attention since the discovery and elucidation of the properties of the nanotube, fullerene allotropes, and conducting polymers. Amorphous carbon, graphite, graphene, and diamond have also been the topics of intensive research. In accordance with this interest, we herein provide the details of a novel and facile method for synthesis of poly(hydridocarbyne (PHC, a preceramic carbon polymer reported to undergo a conversion to diamond-like carbon (DLC upon pyrolysis and also provide electrical characterization after low-temperature processing and pyrolysis of this material. The results indicate that the strongly insulating polymer becomes notably conductive in bulk form upon heating and contains interspersed micro- and nanostructures, which are the subject of ongoing research.

Synthesis and Preliminary Characterization of a PPE-Type Polymer Containing Substituted Fullerenes and Transition Metal Ligation Sites

Directory of Open Access Journals (Sweden)

Corinne A. Basinger

2015-01-01

Full Text Available A substituted fullerene was incorporated into a PPE-conjugated polymer repeat unit. This subunit was then polymerized via Sonogashira coupling with other repeat units to create polymeric systems approaching 50 repeat units (based on GPC characterization. Bipyridine ligands were incorporated into some of these repeat units to provide sites for transition metal coordination. Photophysical characterization of the absorption and emission properties of these systems shows excited states located on both the fullerene and aromatic backbone of the polymers that exist in a thermally controlled equilibrium. Future work will explore other substituted polyaromatic systems using similar methodologies.

Stability issues of conjugated polymer / fullerene solar cells from a chemical viewpoint

NARCIS (Netherlands)

Hummelen, J.C.; Knol, J.; Sánchez, L.

2001-01-01

The efficiency of energy conversion and the stability or lifetime of ‘plastic’ photovoltaic cells, based on conjugated polymer/ fullerene blends, are the two main issues to be improved for this type of devices. The stability of these PV cells depends potentially on a large number of factors. A brief

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....

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.

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

Performance limitations in thieno[3,4-c]pyrrole-4,6-dione-based polymer:ITIC solar cells

KAUST Repository

Yang, Fan

2017-08-15

We report a systematic study of the efficiency limitations of non-fullerene organic solar cells that exhibit a small energy loss (Eloss) between the polymer donor and the non-fullerene acceptor. To clarify the impact of Eloss on the performance of the solar cells, three thieno[3,4-c]pyrrole-4,6-dione-based conjugated polymers (PTPD3T, PTPD2T, and PTPDBDT) are employed as the electron donor, which all have complementary absorption spectra compared with the ITIC acceptor. The corresponding photovoltaic devices show that low Eloss (0.54 eV) in PTPDBDT:ITIC leads to a high open-circuit voltage (Voc) of 1.05 V, but also to a small quantum efficiency, and in turn photocurrent. The high Voc or small energy loss in the PTPDBDT-based solar cells is a consequence of less non-radiative recombination, whereas the low quantum efficiency is attributed to the unfavorable micro-phase separation, as confirmed by the steady-state and time-resolved photoluminescence experiments, grazing-incidence wide-angle X-ray scattering, and resonant soft X-ray scattering (R-SoXS) measurements. We conclude that to achieve high performance non-fullerene solar cells, it is essential to realize a large Voc with small Eloss while simultaneously maintaining a high quantum efficiency by manipulating the molecular interaction in the bulk-heterojunction.

Performance limitations in thieno[3,4-c]pyrrole-4,6-dione-based polymer:ITIC solar cells

KAUST Repository

Yang, Fan; Qian, Deping; Balawi, Ahmed Hesham; Wu, Yang; Ma, Wei; Laquai, Fré dé ric; Tang, Zheng; Zhang, Fengling; Li, Weiwei

2017-01-01

We report a systematic study of the efficiency limitations of non-fullerene organic solar cells that exhibit a small energy loss (Eloss) between the polymer donor and the non-fullerene acceptor. To clarify the impact of Eloss on the performance of the solar cells, three thieno[3,4-c]pyrrole-4,6-dione-based conjugated polymers (PTPD3T, PTPD2T, and PTPDBDT) are employed as the electron donor, which all have complementary absorption spectra compared with the ITIC acceptor. The corresponding photovoltaic devices show that low Eloss (0.54 eV) in PTPDBDT:ITIC leads to a high open-circuit voltage (Voc) of 1.05 V, but also to a small quantum efficiency, and in turn photocurrent. The high Voc or small energy loss in the PTPDBDT-based solar cells is a consequence of less non-radiative recombination, whereas the low quantum efficiency is attributed to the unfavorable micro-phase separation, as confirmed by the steady-state and time-resolved photoluminescence experiments, grazing-incidence wide-angle X-ray scattering, and resonant soft X-ray scattering (R-SoXS) measurements. We conclude that to achieve high performance non-fullerene solar cells, it is essential to realize a large Voc with small Eloss while simultaneously maintaining a high quantum efficiency by manipulating the molecular interaction in the bulk-heterojunction.

Design Principles in Polymer-Fullerene BHJ Solar Cells: PBDTTPD as a Case Study

KAUST Repository

Beaujuge, Pierre

2015-01-01

For example, in poly(benzo[1,2-b:4,5-b’]dithiophene–thieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD), side-chain substituents of various size and branching impart distinct molecular packing distances (i.e., π–π stacking and lamellar spacing), varying degrees of nanostructural order in thin films, and preferential backbone orientation relative to the device substrate.[2-5] While these structural variations seem to correlate with BHJ solar cell performance, with power conversion efficiencies ranging from 4% to 8.5%,[2,3] we believe that other contributing parameters – such as the local conformations between the polymer and the fullerene, and the domain distribution/composition across the BHJ (i.e., pure/mixed phases) – should also be taken into account.[6,7] Other discrete modifications of PBDTTPD’s molecular structure affect polymer performance in BHJ solar cells with PCBM, and our recent developments emphasize how systematic structure-property relationship studies impact the design of efficient polymer donors for BHJ solar cell applications.[8-10] It is important to further our understanding of these effects as we look to continue improving BHJ solar cell efficiencies.

High-performance polymer waveguide devices via low-cost direct photolithography process

Science.gov (United States)

Wang, Jianguo; Shustack, Paul J.; Garner, Sean M.

2002-09-01

All-optical networks provide unique opportunities for polymer waveguide devices because of their excellent mechanical, thermo-optic, and electro-optic properties. Polymer materials and components have been viewed as a viable solution for metropolitan and local area networks where high volume and low cost components are needed. In this paper, we present our recent progress on the design and development of photoresist-like highly fluorinated maleimide copolymers including waveguide fabrication and optical testing. We have developed and synthesized a series of thermally stable, (Tg>150 oC, Td>300 oC) highly fluorinated (>50%) maleimide copolymers by radical co-polymerization of halogenated maleimides with various halogenated co-monomers. A theoretical correlation between optical loss and different co-polymer structures has been quantitatively established from C-H overtone analysis. We studied this correlation through design and manipulation of the copolymer structure by changing the primary properties such as molecular weight, copolymer composition, copolymer sequence distribution, and variations of the side chain including photochemically functional side units. Detailed analysis has been obtained using various characterization methods such as (H, C13, F19) NMR, UV-NIR, FTIR, GPC and so forth. The co-polymers exhibit excellent solubility in ketone solvents and high quality thin films can be prepared by spin coating. The polymer films were found to have a refractive index range of 1.42-1.67 and optical loss in the range of 0.2 to 0.4 dB/cm at 1550nm depending on the composition as extrapolated from UV-NIR spectra. When glycidyl methacrylate is incorporated into the polymer backbone, the material behaves like a negative photoresist with the addition of cationic photoinitiator. The final crosslinked waveguides show excellent optical and thermal properties. The photolithographic processing of the highly fluorinated copolymer material was examined in detail using in

Field effect measurements on charge carrier mobilities in various polymer-fullerene blend compositions

International Nuclear Information System (INIS)

Hauff, Elizabeth von; Parisi, Juergen; Dyakonov, Vladimir

2006-01-01

In this study we investigated materials typically used in polymer photovoltaics. Field effect measurements were performed in order to determine the hole mobilities in the conjugated polymer poly(3-hexylthiophene) (P3HT) and the electron mobilities in the methanofullerene[6,6]-phenyl C 61 -butyric acid methyl ester (PCBM), and, particularly, in the polymer-fullerene composite blends. Regarding the pure films, electron mobilities in PCBM were found to be in the 10 -2 cm 2 /Vs range, and hole mobilities in P3HT were found to be in the 10 -3 cm2/Vs range. In the PCBM:P3HT blends, it was found that varying the PCBM content in PCBM:P3HT blends led to a steep increase in electron mobility with increasing PCBM content, while the hole mobility was found to slightly decrease with the increasing PCBM concentration. In 2:1 PCBM:P3HT tempered blends, the charge carrier mobilities were found to be roughly balanced, at 10 -3 cm 2 /Vs. For improved electron transport in the blends, tempering was found to be crucial

Factors Governing Intercalation of Fullerenes and Other Small Molecules Between the Side Chains of Semiconducting Polymers Used in Solar Cells

KAUST Repository

Miller, Nichole Cates; Cho, Eunkyung; Gysel, Roman; Risko, Chad; Coropceanu, Veaceslav; Miller, Chad E.; Sweetnam, Sean; Sellinger, Alan; Heeney, Martin; McCulloch, Iain; Bré das, Jean-Luc; Toney, Michael F.; McGehee, Michael D.

2012-01-01

bimolecular crystals did not form in the other studied polymer:nonfullerene blends, including those with both conjugated and non-conjugated small molecules. DSC and molecular simulations demonstrate that strong polymer-fullerene interactions can exist

Modeling of nanosecond pulsed laser processing of polymers in air and water

DEFF Research Database (Denmark)

Marla, Deepak; Zhang, Yang; Hattel, Jesper H.

2018-01-01

radiation (λ = 1064 nm) of nanosecond pulse duration. The laser–polymer interaction at such wavelengths is purely photo-thermal in nature and the laser–plasma interaction is assumed to occur mainly by inverse-bremsstrahlung photon absorption. The computational model is based on the finite volume method......Laser ablation of polymers in water is known to generate distinct surface characteristics as compared to that in air. In order to understand the role of ambient media during laser ablation of polymers, this paper aims to develop a physics-based model of the process considering the effect of ambient...... media. Therefore, in the present work, models are developed for laser ablation of polymers in air and water considering all the relevant physical phenomena such as laser–polymer interaction, plasma generation, plasma expansion and plasma shielding. The current work focuses on near-infrared laser...

Preparation and characterization of high performance Schiff-base liquid crystal diepoxide polymer

International Nuclear Information System (INIS)

Liu Huan; Fu Zien; Xu Kai; Cai Hualun; Liu Xin; Chen Mingcai

2012-01-01

Graphical abstract: The specific effects of highly conjugated Schiff-base moiety on thermal properties of the Schiff-base epoxy polymer were proposed first by us. From the point of view of structure-properties relationship, it can be considered that owing to the presence of the Schiff-base group, the high performance liquid crystal diepoxide polymer displayed improved thermal stability. Highlights: ► In this work, we first proposed that specific effects of highly conjugated Schiff-base moiety on thermal properties of the Schiff-base epoxy polymer. ► As one aim of this study, the thermal and thermal-oxidative stabilities of the thermosets were studied by TGA under nitrogen and under air. ► The second aim of this study was to further understand the thermal degradation mechanism. ► For thermal degradation mechanism of this polymer under nitrogen, TG-IR was used to investigate volatile components, and SEM/EDS was used to explore morphologies and chemical components of the residual char. ► From the point of view of structure-properties relationship, it can be considered that owing to the presence of the Schiff-base group, the high performance liquid crystal diepoxide polymer displayed the improved thermal stability. - Abstract: A novel Schiff-base liquid crystal diepoxide polymer was prepared via a thermal copolymerization of a Schiff-base epoxy monomer (PBMBA) with a diamine co-monomer (MDA). We first proposed that specific effects of highly conjugated Schiff-base moiety on thermal properties of the Schiff-base epoxy polymer (PBMBA/MDA). Thermal degradation behavior of the polymer was characterized using thermogravimetric analysis (TGA) under nitrogen and under air, respectively. Thermogravimetric data obtained from TGA under nitrogen and under air reveal that PBMBA/MDA exhibits higher thermal stability compared with bisphenol-A type epoxy polymer (DGEBA/MDA) and other mesogene-containing epoxy polymer. It is worth pointing out that the outstanding residual

In-situ Neutron Scattering Determination of 3D Phase-Morphology Correlations in Fullerene Block Copolymer Systems

Energy Technology Data Exchange (ETDEWEB)

Karim, Alamgir [Univ. of Akron, OH (United States); Bucknall, David [Georgia Inst. of Technology, Atlanta, GA (United States); Raghavan, Dharmaraj [Howard Univ., Washington, DC (United States)

2015-02-23

a fundamental study that does not set out to evaluate new materials or produce devices, but rather we wish to understand from first principles how the molecular structure of polymer-fullerene mixtures determined using neutron scattering (small angle neutron scattering and neutron reflection) affects device characteristics and consequently performance. While this seems a very obvious question to ask, this critical understanding is far from being realized despite the wealth of studies into OPV’s and is severely limiting organic PV devices from achieving their theoretical potential. Despite the fundamental nature of proposed work, it is essential to remain technologically relevant and therefore to ensure we address these issues we have developed relationships on the fundamental nature of structure-processing-property paradigm as applied to future need for large area, flexible OPV devices. Nanoscale heterojunction systems consisting of fullerenes dispersed in conjugated polymers are promising materials candidates for achieving high performance organic photovoltaic (OPV) devices. In order to understand the phase behavior in these devices, neutron reflection is used to determine the behavior of model conjugated polymer-fullerene mixtures. Neutron reflection is particularly useful for these types of thin film studies since the fullerene generally have a high scattering contrast with respect to most polymers. We are studying model bulk heterojunction (BHJ) films based on mixtures of poly(3-hexyl thiophene)s (P3HT), a widely used photoconductive polymer, and different fullerenes (C60, PCBM and bis-PCBM). The characterization technique of neutron reflectivity measurements have been used to determine film morphology in a direction normal to the film surfaces. The novelty of the approach over previous studies is that the BHJ layer is sandwiched between a PEDOT/PSS and Al layers in real device configuration. Using this model system, the effect of typical thermal annealing

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

KAUST Repository

Dou, Fei; Domingo, Ester; Sakowicz, Maciej; Rezasoltani, Elham; McCarthy-Ward, Thomas; Heeney, Martin; Zhang, Xinping; Stingelin, Natalie; Silva, Carlos

2015-01-01

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

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...

Controlling Blend Morphology for Ultra-High Current Density in Non-Fullerene Acceptor Based Organic Solar Cells

KAUST Repository

Song, Xin

2018-01-23

Due to the high absorption coefficient and modulated band gap of non-fullerene small molecule acceptors (NFAs), photons can be utilized more efficiently in near-infrared (NIR) range. In this report, we highlight a system with a well-known polymer donor (PTB7-Th) blended with a narrow bandgap non-fullerene acceptor (IEICO-4F) as active layer and 1-chloronaphthalene (CN) as the solvent additive. The optimization of the photoactive layer nanomorphology yields short-circuit current density value (Jsc) of 27.3 mA/cm2, one of the highest value in OSCs reported to date, which competes with other types of solution processed solar cells such as perovskite or quantum dot devices. Along with decent open-circuit voltage (0.71V) and fill factor values (66%), a power conversion efficiency of 12.8% is achieved for the champion devices. Grazing incidence wide-angle X-ray scattering (GIWAXS) patterns and resonant soft X-ray scattering (R-SoXS) elucidate that the origin of this high photocurrent is mainly due to increased π-π coherence length of the acceptor, the domain spacing as well as the mean-square composition variation of the blend. Optoelectronic measurements confirm a balanced hole and electron mobility and reduced trap-assisted recombination for the best devices. These findings unveil the relevant solvent processing-nanostructure-electronic properties correlation in low band gap non-fullerene based solar cells, which provide a helpful guide for maximizing photocurrent that can pave the way for high efficiency organic solar cells.

Controlling Blend Morphology for Ultra-High Current Density in Non-Fullerene Acceptor Based Organic Solar Cells

KAUST Repository

Song, Xin; Gasparini, Nicola; Ye, Long; Yao, Huifeng; Hou, Jianhui; Ade, Harald; Baran, Derya

2018-01-01

Due to the high absorption coefficient and modulated band gap of non-fullerene small molecule acceptors (NFAs), photons can be utilized more efficiently in near-infrared (NIR) range. In this report, we highlight a system with a well-known polymer donor (PTB7-Th) blended with a narrow bandgap non-fullerene acceptor (IEICO-4F) as active layer and 1-chloronaphthalene (CN) as the solvent additive. The optimization of the photoactive layer nanomorphology yields short-circuit current density value (Jsc) of 27.3 mA/cm2, one of the highest value in OSCs reported to date, which competes with other types of solution processed solar cells such as perovskite or quantum dot devices. Along with decent open-circuit voltage (0.71V) and fill factor values (66%), a power conversion efficiency of 12.8% is achieved for the champion devices. Grazing incidence wide-angle X-ray scattering (GIWAXS) patterns and resonant soft X-ray scattering (R-SoXS) elucidate that the origin of this high photocurrent is mainly due to increased π-π coherence length of the acceptor, the domain spacing as well as the mean-square composition variation of the blend. Optoelectronic measurements confirm a balanced hole and electron mobility and reduced trap-assisted recombination for the best devices. These findings unveil the relevant solvent processing-nanostructure-electronic properties correlation in low band gap non-fullerene based solar cells, which provide a helpful guide for maximizing photocurrent that can pave the way for high efficiency organic solar cells.

High resolution optical spectroscopy of air-induced electrical instabilities in n-type polymer semiconductors.

Science.gov (United States)

Di Pietro, Riccardo; Sirringhaus, Henning

2012-07-03

We use high-resolution charge-accumulation optical spectroscopy to measure charge accumulation in the channel of an n-type organic field-effect transistor. We monitor the degradation of device performance in air, correlate the onset voltage shift with the reduction of charge accumulated in the polymer semiconductor, and explain the results in view of the redox reaction between the polymer, water and oxygen in the accumulation layer. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Small-bandgap semiconducting polymers with high near-infrared photoresponse

NARCIS (Netherlands)

Hendriks, K.H.; Li, W.; Wienk, M.M.; Janssen, R.A.J.

2014-01-01

Lowering the optical bandgap of conjugated polymers while maintaining a high efficiency for photoinduced charge transfer to suitable electron acceptors such as fullerene has remained a formidable challenge in the area of organic photovoltaics. Here we present the synthesis and application of a

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.

Polymer solar cells with efficiency >10% enabled via a facile solution-processed Al-doped ZnO electron transporting layer

KAUST Repository

Jagadamma, Lethy Krishnan

2015-10-05

The present work details a facile and low-temperature (125C) solution-processed Al-doped ZnO (AZO) buffer layer functioning very effectively as electron accepting/hole blocking layer for a wide range of polymer:fullerene bulk heterojunction systems, and yielding power conversion efficiency in excess of 10% (8%) on glass (plastic) substrates. We show that ammonia addition to the aqueous AZO nanoparticle solution is a critically important step toward producing compact and smooth thin films which partially retain the aluminum doping and crystalline order of the starting AZO nanocrystals. The ammonia treatment appears to reduce the native defects via nitrogen incorporation, making the AZO film a very good electron transporter and energetically matched with the fullerene acceptor. Importantly, highly efficient solar cells are achieved without the need for additional surface chemical passivation or modification, which has become an increasingly common route to improving the performance of evaporated or solution-processed ZnO ETLs in solar cells.

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

KAUST Repository

Hoke, Eric T.; Sachs-Quintana, I. T.; Lloyd, Matthew T.; Kauvar, Isaac; Mateker, William R.; Nardes, Alexandre M.; Peters, Craig H.; Kopidakis, Nikos; McGehee, Michael D.

2012-01-01

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

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.

Electrochemical performance of an air-breathing direct methanol fuel cell using poly(vinyl alcohol)/hydroxyapatite composite polymer membrane

Science.gov (United States)

Yang, Chun-Chen; Chiu, Shwu-Jer; Lin, Che-Tseng

A novel composite polymer membrane based on poly(vinyl alcohol)/hydroxyapatite (PVA/HAP) was successfully prepared by a solution casting method. The characteristic properties of the PVA/HAP composite polymer membranes were examined by thermal gravimetric analysis (TGA), X-ray diffraction (XRD), scanning electron microscopy (SEM), micro-Raman spectroscopy and AC impedance method. An air-breathing DMFC, comprised of an air cathode electrode with MnO 2/BP2000 carbon inks on Ni-foam, an anode electrode with PtRu black on Ti-mesh, and the PVA/HAP composite polymer membrane, was assembled and studied. It was found that this alkaline DMFC showed an improved electrochemical performance at ambient temperature and pressure; the maximum peak power density of an air-breathing DMFC in 8 M KOH + 2 M CH 3OH solution is about 11.48 mW cm -2. From the application point of view, these composite polymer membranes show a high potential for the DMFC applications.

Electrochemical performance of an air-breathing direct methanol fuel cell using poly(vinyl alcohol)/hydroxyapatite composite polymer membrane

Energy Technology Data Exchange (ETDEWEB)

Yang, Chun-Chen; Chiu, Shwu-Jer; Lin, Che-Tseng [Department of Chemical Engineering, Mingchi University of Technology, Taipei Hsien 243 (China)

2008-02-15

A novel composite polymer membrane based on poly(vinyl alcohol)/hydroxyapatite (PVA/HAP) was successfully prepared by a solution casting method. The characteristic properties of the PVA/HAP composite polymer membranes were examined by thermal gravimetric analysis (TGA), X-ray diffraction (XRD), scanning electron microscopy (SEM), micro-Raman spectroscopy and AC impedance method. An air-breathing DMFC, comprised of an air cathode electrode with MnO{sub 2}/BP2000 carbon inks on Ni-foam, an anode electrode with PtRu black on Ti-mesh, and the PVA/HAP composite polymer membrane, was assembled and studied. It was found that this alkaline DMFC showed an improved electrochemical performance at ambient temperature and pressure; the maximum peak power density of an air-breathing DMFC in 8 M KOH + 2 M CH{sub 3}OH solution is about 11.48 mW cm{sup -2}. From the application point of view, these composite polymer membranes show a high potential for the DMFC applications. (author)

Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

KAUST Repository

Nielsen, Christian B.; Holliday, Sarah; Chen, Hung-Yang; Cryer, Samuel J.; McCulloch, Iain

2015-01-01

The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted

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.

Development and Characterization of Biocompatible Fullerene [C60]/Amphiphilic Block Copolymer Nanocomposite

Directory of Open Access Journals (Sweden)

Alok Chaurasia

2015-01-01

Full Text Available We report a supramolecular process for the synthesis of well-defined fullerene (C60/polymer colloid nanocomposites in an aqueous solution via complex formation. A biocompatible triblock poly(4-vinylpyridine-b-polyethylene-b-poly(4-vinylpyridine, P4VP8-b-PEO105-b-P4VP8, was synthesized by atom transfer radical polymerization. The block copolymer formed complexes with C60 in toluene and resulted in fullerene assembly in cluster form. Nanocomposite dispersion in an aqueous solution could be obtained using an aged solution of the polymer/C60/toluene solution by a solvent evaporation technique. The UV-Vis and FTIR spectroscopy confirmed the complex formation of fullerene with the polymer which plays a significant role in controlling the PDI and size of polymer/C60 micelles in the toluene solution. The particle size and morphology of P4VP8-b-PEO105-b-P4VP8 and P4VP8-b-PEO105-b-P4VP8/C60 mixture were studied by dynamic light scattering (DLS and transmission electron microscopy (TEM. In a cytotoxicity test, both pure polymer and the resulting polymer/C60 composite in water showed more than 90% cell viability at 1 mg/mL concentration.

Interfacial Layer Engineering for Performance Enhancement in Polymer Solar Cells

Directory of Open Access Journals (Sweden)

Hao Zeng

2015-02-01

Full Text Available Improving power conversion efficiency and device performance stability is the most critical challenge in polymer solar cells for fulfilling their applications in industry at large scale. Various methodologies have been developed for realizing this goal, among them interfacial layer engineering has shown great success, which can optimize the electrical contacts between active layers and electrodes and lead to enhanced charge transport and collection. Interfacial layers also show profound impacts on light absorption and optical distribution of solar irradiation in the active layer and film morphology of the subsequently deposited active layer due to the accompanied surface energy change. Interfacial layer engineering enables the use of high work function metal electrodes without sacrificing device performance, which in combination with the favored kinetic barriers against water and oxygen penetration leads to polymer solar cells with enhanced performance stability. This review provides an overview of the recent progress of different types of interfacial layer materials, including polymers, small molecules, graphene oxides, fullerene derivatives, and metal oxides. Device performance enhancement of the resulting solar cells will be elucidated and the function and operation mechanism of the interfacial layers will be discussed.

Conducting polymer nanowire arrays for high performance supercapacitors.

Science.gov (United States)

Wang, Kai; Wu, Haiping; Meng, Yuena; Wei, Zhixiang

2014-01-15

This Review provides a brief summary of the most recent research developments in the fabrication and application of one-dimensional ordered conducting polymers nanostructure (especially nanowire arrays) and their composites as electrodes for supercapacitors. By controlling the nucleation and growth process of polymerization, aligned conducting polymer nanowire arrays and their composites with nano-carbon materials can be prepared by employing in situ chemical polymerization or electrochemical polymerization without a template. This kind of nanostructure (such as polypyrrole and polyaniline nanowire arrays) possesses high capacitance, superior rate capability ascribed to large electrochemical surface, and an optimal ion diffusion path in the ordered nanowire structure, which is proved to be an ideal electrode material for high performance supercapacitors. Furthermore, flexible, micro-scale, threadlike, and multifunctional supercapacitors are introduced based on conducting polyaniline nanowire arrays and their composites. These prototypes of supercapacitors utilize the high flexibility, good processability, and large capacitance of conducting polymers, which efficiently extend the usage of supercapacitors in various situations, and even for a complicated integration system of different electronic devices. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-performance polymer/layered silicate nanocomposites

Science.gov (United States)

Heidecker, Matthew J.

High-performance layered-silicate nanocomposites of Polycarbonate (PC), poly(ethylene terephthalate) (PET), and their blends were produced via conventional melt-blending techniques. The focus of this thesis was on the fundamentals of dispersion, control of thermal stability, maintenance of melt-blending processing conditions, and on optimization of the composites' mechanical properties via the design of controlled and thermodynamically favorable nano-filler dispersions within the polymer matrices. PET and PC require high temperatures for melt-processing, rendering impractical the use of conventional/commercial organically-modified layered-silicates, since the thermal degradation temperatures of their ammonium surfactants lies below the typical processing temperatures. Thus, different surfactant chemistries must be employed in order to develop melt-processable nanocomposites, also accounting for polymer matrix degradation due to water (PET) or amine compounds (PC). Novel high thermal-stability surfactants were developed and employed in montmorillonite nanocomposites of PET, PC, and PC/PET blends, and were compared to the respective nanocomposites based on conventional quaternary-ammonium modified montmorillonites. Favorable dispersion was achieved in all cases, however, the overall material behavior -- i.e., the combination of crystallization, mechanical properties, and thermal degradation -- was better for the nanocomposites based on the thermally-stable surfactant fillers. Studies were also done to trace, and ultimately limit, the matrix degradation of Polycarbonate/montmorillonite nanocomposites, through varying the montmorillonite surfactant chemistry, processing conditions, and processing additives. Molecular weight degradation was, maybe surprisingly, better controlled in the conventional quaternary ammonium based nanocomposites -- even though the thermal stability of the organically modified montmorillonites was in most cases the lowest. Dependence of the

Solution-Processed Donor-Acceptor Polymer Nanowire Network Semiconductors For High-Performance Field-Effect Transistors

Science.gov (United States)

Lei, Yanlian; Deng, Ping; Li, Jun; Lin, Ming; Zhu, Furong; Ng, Tsz-Wai; Lee, Chun-Sing; Ong, Beng S.

2016-01-01

Organic field-effect transistors (OFETs) represent a low-cost transistor technology for creating next-generation large-area, flexible and ultra-low-cost electronics. Conjugated electron donor-acceptor (D-A) polymers have surfaced as ideal channel semiconductor candidates for OFETs. However, high-molecular weight (MW) D-A polymer semiconductors, which offer high field-effect mobility, generally suffer from processing complications due to limited solubility. Conversely, the readily soluble, low-MW D-A polymers give low mobility. We report herein a facile solution process which transformed a lower-MW, low-mobility diketopyrrolopyrrole-dithienylthieno[3,2-b]thiophene (I) into a high crystalline order and high-mobility semiconductor for OFETs applications. The process involved solution fabrication of a channel semiconductor film from a lower-MW (I) and polystyrene blends. With the help of cooperative shifting motion of polystyrene chain segments, (I) readily self-assembled and crystallized out in the polystyrene matrix as an interpenetrating, nanowire semiconductor network, providing significantly enhanced mobility (over 8 cm2V−1s−1), on/off ratio (107), and other desirable field-effect properties that meet impactful OFET application requirements. PMID:27091315

Organic Solar Cells: Degradation Processes and Approaches to Enhance Performance

Energy Technology Data Exchange (ETDEWEB)

Fungura, Fadzai [Iowa State Univ., Ames, IA (United States)

2016-12-17

Intrinsic photodegradation of organic solar cells, theoretically attributed to C-H bond rearrangement/breaking, remains a key commercialization barrier. This work presents, via dark electron paramagnetic resonance (EPR), the first experimental evidence for metastable C dangling bonds (DBs) (g=2.0029±0.0004) formed by blue/UV irradiation of polymer:fullerene blend films in nitrogen. The DB density increased with irradiation and decreased ~4 fold after 2 weeks in the dark. The dark EPR also showed increased densities of other spin-active sites in photodegraded polymer, fullerene, and polymer:fullerene blend films, consistent with broad electronic measurements of fundamental properties, including defect/gap state densities. The EPR enabled identification of defect states, whether in the polymer, fullerene, or at the donor/acceptor (D/A) interface. Importantly, the EPR results indicate that the DBs are at the D/A interface, as they were present only in the blend films. The role of polarons in interface DB formation is also discussed.

ITO-free inverted polymer/fullerene solar cells: Interface effects and comparison of different semi-transparent front contacts

NARCIS (Netherlands)

Wilken, Sebastian; Hoffmann, Thomas; von Hauff, Elizabeth; Borchert, Holger; Parisi, Juergen

Polymer/fullerene solar cells with an inverted layer sequence and free from indium tin oxide (ITO) are presented in this study. We concentrate on critical interface effects in inverted devices and compare different semi-transparent front contacts, such as ultra-thin Au films and Au grid structures.

Highly efficient organic solar Cells based on a robust room-temperature solution-processed copper iodide hole transporter

KAUST Repository

Zhao, Kui; Ngongang Ndjawa, Guy Olivier; Jagadamma, Lethy Krishnan; El Labban, Abdulrahman; Hu, Hanlin; Wang, Qingxiao; Li, Ruipeng; Abdelsamie, Maged; Beaujuge, Pierre; Amassian, Aram

2015-01-01

Achieving high performance and reliable organic solar cells hinges on the development of stable and energetically suitable hole transporting buffer layers in tune with the electrode and photoactive materials of the solar cell stack. Here we have identified solution-processed copper(I) iodide (CuI) thin films with low-temperature processing conditions as an effective hole–transporting layer (HTL) for a wide range of polymer:fullerene bulk heterojunction (BHJ) systems. The solar cells using CuI HTL show higher power conversion efficiency (PCE) in standard device structure for polymer blends, up to PCE of 8.8%, as compared with poly(3,4-ethylenedioxy-thiophene):poly(styrenesulfonate) (PEDOT:PSS) HTL, for a broad range of polymer:fullerene systems. The CuI layer properties and solar cell device behavior are shown to be remarkably robust and insensitive to a wide range of processing conditions of the HTL, including processing solvent, annealing temperature (room temperature up to 200 °C), and film thickness. CuI is also shown to improve the overall lifetime of solar cells in the standard architecture as compared to PEDOT:PSS. We further demonstrate promising solar cell performance when using CuI as top HTL in an inverted device architecture. The observation of uncommon properties, such as photoconductivity of CuI and templating effects on the BHJ layer formation, are also discussed. This study points to CuI as being a good candidate to replace PEDOT:PSS in solution-processed solar cells thanks to the facile implementation and demonstrated robustness of CuI thin films.

Highly efficient organic solar Cells based on a robust room-temperature solution-processed copper iodide hole transporter

KAUST Repository

Zhao, Kui

2015-07-30

Achieving high performance and reliable organic solar cells hinges on the development of stable and energetically suitable hole transporting buffer layers in tune with the electrode and photoactive materials of the solar cell stack. Here we have identified solution-processed copper(I) iodide (CuI) thin films with low-temperature processing conditions as an effective hole–transporting layer (HTL) for a wide range of polymer:fullerene bulk heterojunction (BHJ) systems. The solar cells using CuI HTL show higher power conversion efficiency (PCE) in standard device structure for polymer blends, up to PCE of 8.8%, as compared with poly(3,4-ethylenedioxy-thiophene):poly(styrenesulfonate) (PEDOT:PSS) HTL, for a broad range of polymer:fullerene systems. The CuI layer properties and solar cell device behavior are shown to be remarkably robust and insensitive to a wide range of processing conditions of the HTL, including processing solvent, annealing temperature (room temperature up to 200 °C), and film thickness. CuI is also shown to improve the overall lifetime of solar cells in the standard architecture as compared to PEDOT:PSS. We further demonstrate promising solar cell performance when using CuI as top HTL in an inverted device architecture. The observation of uncommon properties, such as photoconductivity of CuI and templating effects on the BHJ layer formation, are also discussed. This study points to CuI as being a good candidate to replace PEDOT:PSS in solution-processed solar cells thanks to the facile implementation and demonstrated robustness of CuI thin films.

Probing the thermal stability and the decomposition mechanism of a magnesium-fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and molecular dynamics simulations.

Science.gov (United States)

Aramini, Matteo; Niskanen, Johannes; Cavallari, Chiara; Pontiroli, Daniele; Musazay, Abdurrahman; Krisch, Michael; Hakala, Mikko; Huotari, Simo

2016-02-21

We report the microscopic view of the thermal structural stability of the magnesium intercalated fullerene polymer Mg2C60. With the application of X-ray Raman spectroscopy and X-ray diffraction, we study in detail the decomposition pathways of the polymer system upon annealing at temperatures between 300 and 700 °C. We show that there are at least two energy scales involved in the decomposition reaction. Intermolecular carbon bonds, which are responsible for the formation of a 2D fullerene polymer, are broken with a relatively modest thermal energy, while the long-range order of the original polymer remains intact. With an increased thermal energy, the crystal structure in turn is found to undergo a transition to a novel intercalated cubic phase that is stable up to the highest temperature studied here. The local structure surrounding magnesium ions gets severely modified close to, possibly at, the phase transition. We used density functional theory based calculations to study the thermodynamic and kinetic aspects of the collapse of the fullerene network, and to explain the intermediate steps as well as the reaction pathways in the break-up of this peculiar C60 intermolecular bonding architecture.

Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

KAUST Repository

Nielsen, Christian B.

2015-10-27

The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted to optimize the absorbing, energetic, and transport properties of the donor material, fullerenes remain as the exclusive electron acceptor in all high performance devices. Very recently, some new non-fullerene acceptors have been demonstrated to outperform fullerenes in comparative devices. This Account describes this progress, discussing molecular design considerations and the structure–property relationships that are emerging. The motivation to replace fullerene acceptors stems from their synthetic inflexibility, leading to constraints in manipulating frontier energy levels, as well as poor absorption in the solar spectrum range, and an inherent tendency to undergo postfabrication crystallization, resulting in device instability. New acceptors have to address these limitations, providing tunable absorption with high extinction coefficients, thus contributing to device photocurrent. The ability to vary and optimize the lowest unoccupied molecular orbital (LUMO) energy level for a specific donor polymer is also an important requirement, ensuring minimal energy loss on electron transfer and as high an internal voltage as possible. Initially perylene diimide acceptors were evaluated as promising acceptor materials. These electron deficient aromatic molecules can exhibit good electron transport, facilitated by close packed herringbone crystal motifs, and their energy levels can be synthetically tuned. The principal drawback of this class of materials, their tendency to crystallize on too large a length scale for an optimal heterojunction nanostructure, has been shown to be overcome through introduction of conformation twisting through steric effects. This has been primarily achieved by coupling two units together, forming dimers

Diketopyrrolopyrrole Polymers for Organic Solar Cells.

Science.gov (United States)

Li, Weiwei; Hendriks, Koen H; Wienk, Martijn M; Janssen, René A J

2016-01-19

fullerenes via solution processing. The width of these fibers and the photon energy loss, defined as the energy difference between optical band gap and open-circuit voltage, together govern to a large extent the quantum efficiency for charge generation in these blends and thereby the power conversion efficiency of the photovoltaic devices. Lowering the photon energy loss and maintaining a high quantum yield for charge generation is identified as a major pathway to enhance the performance of organic solar cells. This can be achieved by controlling the structural purity of the materials and further control over morphology formation. We hope that this Account contributes to improved design strategies of DPP polymers that are required to realize new breakthroughs in organic solar cell performance in the future.

Lignin-based monomers: Utilization in high-performance polymers and the effects of their structures on polymer properties

Science.gov (United States)

Stanzione, Joseph F., III

With the uncertainty of petroleum reserves and future crude oil prices, lignocellulosic biomass is becoming an increasingly valuable resource for the sustainable development of fuels, chemicals, and materials, including vinyl ester resins (VERs). Petroleum-based VERs are used to produce polymer composites for a wide variety of commercial applications. Although possessing relatively high moduli, strengths, and glass transition temperatures, commercial VERs typically contain high concentrations of a reactive diluent, such as styrene. However, these reactive diluents are often considered hazardous air pollutants (HAPs), volatile organic compounds (VOCs), and anticipated carcinogens. Moreover, bisphenol-A, which has gained considerable attention due to potential associated health-related issues, is utilized as a precursor in the synthesis of VERs. A green chemistry and engineering approach in the development of new VERs and renewable reactive diluents that are based on lignin is presented in this dissertation. Lignin, which is currently an abundant, renewable waste product of the paper and pulping industry, is primarily burned as a low value fuel. However, lignin has the potential to be a low cost feedstock in future lignocellulosic biorefineries that could yield highly valuable aromatic chemicals (lignin model compounds, LMCs) when strategically depolymerized. The incorporation of aromaticity in a resin's chemical structure is known to improve overall polymer composite performance and the high aromatic content found in lignin is ideal for novel resin development. Highlighted in this dissertation are three projects: (1) the synthesis and characterization of a lignin-based bio-oil resin/reactive diluent, (2) the use of functionalized LMCs as styrene replacements in VERs, and (3) the synthesis and characterization of a vanillin-based resin. Through the use of traditional and new polymer theory coupled with spectroscopic, thermal, and mechanical techniques, structure

High-performance polymers from nature: catalytic routes and processes for industry.

Science.gov (United States)

Walther, Guido

2014-08-01

It is difficult to imagine life today without polymers. However, most chemicals are almost exclusively synthesized from petroleum. With diminishing oil reserves, establishing an industrial process to transform renewables into high-value chemicals may be more challenging than running a car without gasoline. This is due to the difficulty in setting up processes that are novel, profitable, and environmentally benign at the same time. Additionally, the quest for sustainability of renewable resources should be based on incorporating ethical considerations in the development of plans that utilize feedstocks intended for human nutrition and health. Thus, it is important to use bio-energy containing renewable resources in the most efficient way. This Concept goes beyond the synthesis of monomers and provides insights for establishing an industrial process that transforms renewable resources into high-value chemicals, and it describes careful investigations that are of paramount importance, including evaluations from an economical and an ecological perspective. The synthesis of monomers suitable for polymer production from renewable resources would ideally be accompanied by a reduction in CO2 emission and waste, through the complete molecular utilization of the feedstock. This Concept advocates the drop-in strategy, and is guided by the example of catalytically synthesized dimethyl 1,19-nonadecanedioate and its α,ω-functionalized derivatives. With respect to the Twelve Principles of Green Chemistry, this Concept describes a technological leap forward for a sustainable green chemical industry. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

KAUST Repository

Douglas, Jessica D.

2014-05-12

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

High-performance polymer photovoltaic cells and photodetectors

Science.gov (United States)

Yu, Gang; Srdanov, Gordana; Wang, Hailiang; Cao, Yong; Heeger, Alan J.

2001-02-01

Polymer photovoltaic cells and photodetectors have passed their infancy and become mature technologies. The energy conversion efficiency of polymer photovoltaic cells have been improved to over 4.1% (500 nm, 10 mW/cm2). Such high efficiency polymer photovoltaic cells are promising for many applications including e-papers, e-books and smart- windows. The development of polymer photodetectors is even faster. The performance parameters have been improved to the level meeting all specifications for practical applications. The polymer photodetectors are of high photosensitivity (approximately 0.2 - 0.3 A/Watt in visible and UV), low dark current (0.1 - 1 nA/cm2), large dynamic range (> 8 orders of magnitude), linear intensity dependence, low noise level and fast response time (to nanosecond time domain). These devices show long shelf and operation lives. The advantages of low manufacturing cost, large detection area, and easy hybridization and integration with other electronic or optical components make the polymer photodetectors promising for a variety of applications including chemical/biomedical analysis, full-color digital image sensing and high energy radiation detection.

Comparison of the Photovoltaic Characteristics and Nanostructure of Fullerenes Blended with Conjugated Polymers with Siloxane-Terminated and Branched Aliphatic Side Chains

KAUST Repository

Kim, Do Hwan

2013-02-12

All-organic bulk heterojunction solar cells based on blends of conjugated polymers with fullerenes have recently surpassed the 8% efficiency mark and are well on their way to the industrially relevant ∼15% threshold. Using a low band-gap conjugated polymer, we have recently shown that polymer side chain engineering can lead to dramatic improvement in the in-plane charge carrier mobility. In this article, we investigate the effectiveness of siloxy side chain derivatization in controlling the photovoltaic performance of polymer:[6,6]-phenyl-C[71]-butyric acid methyl ester (PC71BM) blends and hence its influence on charge transport in the out-of-plane direction relevant for organic solar cells. We find that, in neat blends, the photocurrent of the polymer with siloxy side chains (PII2T-Si) is 4 times greater than that in blends using the polymer with branched aliphatic side chains (PII2T-ref). This difference is due to a larger out-of-plane hole mobility for PII2T-Si brought about by a largely face-on crystallite orientation as well as more optimal nanoscale polymer:PC71BM mixing. However, upon incorporating a common processing additive, 1,8-diiodooctane (DIO), into the spin-casting blend solution and following optimization, the PII2T-ref:PC71BM OPV device performance undergoes a large improvement and becomes the better-performing device, almost independent of DIO concentration (>1%). We find that the precise amount of DIO plays a larger role in determining the efficiency of PII2T-Si:PC71BM, and even at its maximum, the device performance lags behind optimized PII2T-ref:PC71BM blends. Using a combination of atomic force microscopy and small- and wide-angle X-ray scattering, we are able to elucidate the morphological modifications associated with the DIO-induced changes in both the nanoscale morphology and the molecular packing in blend films. © 2012 American Chemical Society.

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.)

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.

Structure–property relationships of oligothiophene–isoindigo polymers for efficient bulk-heterojunction solar cells

DEFF Research Database (Denmark)

Ma, Zaifei; Sun, Wenjun; Himmelberger, Scott

2014-01-01

interfacial energy level offset ensures efficient exciton separation and charge generation. The structure–property relationship demonstrated in this work would be a valuable guideline for the design of high performance polymers with small energy losses during the charge generation process, allowing......) in the repeating unit alters both polymer crystallinity and polymer–fullerene interfacial energetics, which results in a decreasing open-circuit voltage (Voc) of the solar cells with increasing n. The short-circuit current density (Jsc) of P1TI:PCBM devices is limited by the absence of a significant driving force...

Solution-processable ambipolar diketopyrrolopyrrole-selenophene polymer with unprecedentedly high hole and electron mobilities.

Science.gov (United States)

Lee, Junghoon; Han, A-Reum; Kim, Jonggi; Kim, Yiho; Oh, Joon Hak; Yang, Changduk

2012-12-26

There is a fast-growing demand for polymer-based ambipolar thin-film transistors (TFTs), in which both n-type and p-type transistor operations are realized in a single layer, while maintaining simplicity in processing. Research progress toward this end is essentially fueled by molecular engineering of the conjugated backbones of the polymers and the development of process architectures for device fabrication, which has recently led to hole and electron mobilities of more than 1.0 cm(2) V(-1) s(-1). However, ambipolar polymers with even higher performance are still required. By taking into account both the conjugated backbone and side chains of the polymer component, we have developed a dithienyl-diketopyrrolopyrrole (TDPP) and selenophene containing polymer with hybrid siloxane-solubilizing groups (PTDPPSe-Si). A synergistic combination of rational polymer backbone design, side-chain dynamics, and solution processing affords an enormous boost in ambipolar TFT performance, resulting in unprecedentedly high hole and electron mobilities of 3.97 and 2.20 cm(2) V(-1) s(-1), respectively.

Chalcogenophene comonomer comparison in small band gap diketopyrrolopyrrole-based conjugated polymers for high-performing field-effect transistors and organic solar cells

KAUST Repository

Ashraf, Raja Shahid

2015-01-28

The design, synthesis, and characterization of a series of diketopyrrolopyrrole-based copolymers with different chalcogenophene comonomers (thiophene, selenophene, and tellurophene) for use in field-effect transistors and organic photovoltaic devices are reported. The effect of the heteroatom substitution on the optical, electrochemical, and photovoltaic properties and charge carrier mobilities of these polymers is discussed. The results indicate that by increasing the size of the chalcogen atom (S < Se < Te), polymer band gaps are narrowed mainly due to LUMO energy level stabilization. In addition, the larger heteroatomic size also increases intermolecular heteroatom-heteroatom interactions facilitating the formation of polymer aggregates leading to enhanced field-effect mobilities of 1.6 cm2/(V s). Bulk heterojunction solar cells based on the chalcogenophene polymer series blended with fullerene derivatives show good photovoltaic properties, with power conversion efficiencies ranging from 7.1-8.8%. A high photoresponse in the near-infrared (NIR) region with excellent photocurrents above 20 mA cm-2 was achieved for all polymers, making these highly efficient low band gap polymers promising candidates for use in tandem solar cells. (Graph Presented).

Spin dynamics of light-induced charge separation in composites of semiconducting polymers and PC60BM revealed using Q-band pulse EPR.

Science.gov (United States)

Lukina, E A; Suturina, E; Reijerse, E; Lubitz, W; Kulik, L V

2017-08-23

Light-induced processes in composites of semiconducting polymers and fullerene derivatives have been widely studied due to their usage as active layers of organic solar cells. However the process of charge separation under light illumination - the key process of an organic solar cell is not well understood yet. Here we report a Q-band pulse electron paramagnetic resonance study of composites of the fullerene derivative PC 60 BM ([6,6]-phenyl-C 61 -butyric acid methyl ester) with different p-type semiconducting polymers regioregular and regiorandom P3HT (poly(3-hexylthiophene-2,5-diyl), MEH-PPV (poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene]), PCDTBT (poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)]), PTB7 (poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}))), resulting in a detailed description of the in-phase laser flash-induced electron spin echo (ESE) signal. We found that in organic donor-acceptor composites the laser flash simultaneously induces species of two types: a polymer˙ + /fullerene˙ - spin-correlated polaron pair (SCPP) with an initial singlet spin state and (nearly) free polymer˙ + and fullerene˙ - species with non-equilibrium spin polarization. Species of the first type (SCPP) are well-known for polymer/fullerene blends and are usually associated with a charge-separated state. Also, spin polarization of long-living free species (polarons in deep traps) is affected by the laser flash, which is the third contribution to the flash-induced ESE signal. A protocol for extracting the in-phase ESE signal of the SCPP based on the dependence of the microwave nutation frequency on the strength of the spin coupling within the polaron pair was developed. Nutation experiments revealed an unusual pattern of the SCPP in RR-P3HT/PC 60 BM composites, from which the strength of the exchange interaction between the polymer

Hole-Transfer Dependence on Blend Morphology and Energy Level Alignment in Polymer: ITIC Photovoltaic Materials.

Science.gov (United States)

Eastham, Nicholas D; Logsdon, Jenna L; Manley, Eric F; Aldrich, Thomas J; Leonardi, Matthew J; Wang, Gang; Powers-Riggs, Natalia E; Young, Ryan M; Chen, Lin X; Wasielewski, Michael R; Melkonyan, Ferdinand S; Chang, Robert P H; Marks, Tobin J

2018-01-01

Bulk-heterojunction organic photovoltaic materials containing nonfullerene acceptors (NFAs) have seen remarkable advances in the past year, finally surpassing fullerenes in performance. Indeed, acceptors based on indacenodithiophene (IDT) have become synonymous with high power conversion efficiencies (PCEs). Nevertheless, NFAs have yet to achieve fill factors (FFs) comparable to those of the highest-performing fullerene-based materials. To address this seeming anomaly, this study examines a high efficiency IDT-based acceptor, ITIC, paired with three donor polymers known to achieve high FFs with fullerenes, PTPD3T, PBTI3T, and PBTSA3T. Excellent PCEs up to 8.43% are achieved from PTPD3T:ITIC blends, reflecting good charge transport, optimal morphology, and efficient ITIC to PTPD3T hole-transfer, as observed by femtosecond transient absorption spectroscopy. Hole-transfer is observed from ITIC to PBTI3T and PBTSA3T, but less efficiently, reflecting measurably inferior morphology and nonoptimal energy level alignment, resulting in PCEs of 5.34% and 4.65%, respectively. This work demonstrates the importance of proper morphology and kinetics of ITIC → donor polymer hole-transfer in boosting the performance of polymer:ITIC photovoltaic bulk heterojunction blends. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Alternative High Performance Polymers for Ablative Thermal Protection Systems

Science.gov (United States)

Boghozian, Tane; Stackpoole, Mairead; Gonzales, Greg

2015-01-01

Ablative thermal protection systems are commonly used as protection from the intense heat during re-entry of a space vehicle and have been used successfully on many missions including Stardust and Mars Science Laboratory both of which used PICA - a phenolic based ablator. Historically, phenolic resin has served as the ablative polymer for many TPS systems. However, it has limitations in both processing and properties such as char yield, glass transition temperature and char stability. Therefore alternative high performance polymers are being considered including cyanate ester resin, polyimide, and polybenzoxazine. Thermal and mechanical properties of these resin systems were characterized and compared with phenolic resin.

Evaluation of an air spinning process to produce tailored biosynthetic nanofibre scaffolds

International Nuclear Information System (INIS)

Sabbatier, Gad

2014-01-01

We optimised the working parameters of an innovative air spinning device to produce nanofibrous polymer scaffolds for tissue engineering applications. Scanning electron microscopy was performed on the fibre scaffolds which were then used to identify various scaffold morphologies based on the ratio of surface occupied by the polymer fibres on that covered by the entire polymer scaffold assembly. Scaffolds were then produced with the spinning experimental parameters, resulting in 90% of fibres in the overall polymer construct, and were subsequently used to perform a multiple linear regression analysis to highlight the relationship between nanofibre diameter and the air spinning parameters. Polymer solution concentration was deemed as the most significant parameter to control fibre diameter during the spinning process, despite interactions between experimental parameters. Based on these findings, viscosity measurements were performed to clarify the effect of the polymer solution property on scaffold morphology. - Highlights: • An air spinning device for nanofibre scaffold production was optimised. • Relationships between fibre diameter and spinning parameters were established. • Polymer solution concentration was the most significant parameter. • Interactions between experimental parameters also influence the spinning process. • Nanofibres were formed due to polymer chain entanglements

Crystal and molecular simulation of high-performance polymers.

Science.gov (United States)

Colquhoun, H M; Williams, D J

2000-03-01

Single-crystal X-ray analyses of oligomeric models for high-performance aromatic polymers, interfaced to computer-based molecular modeling and diffraction simulation, have enabled the determination of a range of previously unknown polymer crystal structures from X-ray powder data. Materials which have been successfully analyzed using this approach include aromatic polyesters, polyetherketones, polythioetherketones, polyphenylenes, and polycarboranes. Pure macrocyclic homologues of noncrystalline polyethersulfones afford high-quality single crystals-even at very large ring sizes-and have provided the first examples of a "protein crystallographic" approach to the structures of conventionally amorphous synthetic polymers.

Energy level alignment and sub-bandgap charge generation in polymer:fullerene bulk heterojunction solar cells.

Science.gov (United States)

Tsang, Sai-Wing; Chen, Song; So, Franky

2013-05-07

Using charge modulated electroabsorption spectroscopy (CMEAS), for the first time, the energy level alignment of a polymer:fullerene bulk heterojunction photovoltaic cell is directly measured. The charge-transfer excitons generated by the sub-bandgap optical pumping are coupled with the modulating electric field and introduce subtle changes in optical absorption in the sub-bandgap region. This minimum required energy for sub-bandgap charge genreation is defined as the effective bandgap. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of Thermal Annealing Upon the Morphology of Polymer-Fullerene Blends

KAUST Repository

Verploegen, Eric

2010-08-18

Grazing incidence X-ray scattering (GIXS) is used to characterize the morphology of poly(3-hexylthiophene) (P3HT)-phenyl-C61-butyric acid methyl ester (PCBM) thin film bulk heterojunction (BHJ) blends as a function of thermal annealing temperature, from room temperature to 220 °C. A custom-built heating chamber for in situ GIXS studies allows for the morphological characterization of thin films at elevated temperatures. Films annealed with a thermal gradient allow for the rapid investigation of the morphology over a range of temperatures that corroborate the results of the in situ experiments. Using these techniques the following are observed: the melting points of each component; an increase in the P3HT coherence length with annealing below the P3HT melting temperature; the formation of well-oriented P3HT crystallites with the (100) plane parallel to the substrate, when cooled from the melt; and the cold crystallization of PCBM associated with the PCBM glass transition temperature. The incorporation of these materials into BHJ blends affects the nature of these transitions as a function of blend ratio. These results provide a deeper understanding of the physics of how thermal annealing affects the morphology of polymer-fullerene BHJ blends and provides tools to manipulate the blend morphology in order to develop high-performance organic solar cell devices. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of Thermal Annealing Upon the Morphology of Polymer-Fullerene Blends

KAUST Repository

Verploegen, Eric; Mondal, Rajib; Bettinger, Christopher J.; Sok, Seihout; Toney, Michael F.; Bao, Zhenan

2010-01-01

Grazing incidence X-ray scattering (GIXS) is used to characterize the morphology of poly(3-hexylthiophene) (P3HT)-phenyl-C61-butyric acid methyl ester (PCBM) thin film bulk heterojunction (BHJ) blends as a function of thermal annealing temperature, from room temperature to 220 °C. A custom-built heating chamber for in situ GIXS studies allows for the morphological characterization of thin films at elevated temperatures. Films annealed with a thermal gradient allow for the rapid investigation of the morphology over a range of temperatures that corroborate the results of the in situ experiments. Using these techniques the following are observed: the melting points of each component; an increase in the P3HT coherence length with annealing below the P3HT melting temperature; the formation of well-oriented P3HT crystallites with the (100) plane parallel to the substrate, when cooled from the melt; and the cold crystallization of PCBM associated with the PCBM glass transition temperature. The incorporation of these materials into BHJ blends affects the nature of these transitions as a function of blend ratio. These results provide a deeper understanding of the physics of how thermal annealing affects the morphology of polymer-fullerene BHJ blends and provides tools to manipulate the blend morphology in order to develop high-performance organic solar cell devices. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Polymer solar cells with efficiency >10% enabled via a facile solution-processed Al-doped ZnO electron transporting layer

KAUST Repository

Jagadamma, Lethy Krishnan; Al-Senani, Mohammed; Amassian, Aram

2015-01-01

The present work details a facile and low-temperature (125C) solution-processed Al-doped ZnO (AZO) buffer layer functioning very effectively as electron accepting/hole blocking layer for a wide range of polymer:fullerene bulk heterojunction systems

Vacuum-integrated electrospray deposition for highly reliable polymer thin film.

Science.gov (United States)

Park, Soohyung; Lee, Younjoo; Yi, Yeonjin

2012-10-01

Vacuum electrospray deposition (ESD) equipment was designed to prepare polymer thin films. The polymer solution can be injected directly into vacuum system through multi-stage pumping line, so that the solvent residues and ambient contaminants are highly reduced. To test the performance of ESD system, we fabricated organic photovoltaic cells (OPVCs) by injecting polymer solution directly onto the substrate inside a high vacuum chamber. The OPVC fabricated has the structure of Al∕P3HT:PCBM∕PEDOT:PSS∕ITO and was optimized by varying the speed of solution injection and concentration of the solution. The power conversion efficiency (PCE) of the optimized OPVC is 3.14% under AM 1.5G irradiation without any buffer layer at the cathode side. To test the advantages of the vacuum ESD, we exposed the device to atmosphere between the deposition steps of the active layer and cathode. This showed that the PCE of the vacuum processed device is 24% higher than that of the air exposed device and confirms the advantages of the vacuum prepared polymer film for high performance devices.

Porous polymer monoliths functionalized through copolymerization of a C60 fullerene-containing methacrylate monomer for highly efficient separations of small molecules

KAUST Repository

Chambers, Stuart D.

2011-12-15

Monolithic poly(glycidyl methacrylate-co-ethylene dimethacrylate) and poly(butyl methacrylate-co-ethylene dimethacrylate) capillary columns, which incorporate the new monomer [6,6]-phenyl-C 61-butyric acid 2-hydroxyethyl methacrylate ester, have been prepared and their chromatographic performance have been tested for the separation of small molecules in the reversed phase. While addition of the C60-fullerene monomer to the glycidyl methacrylate-based monolith enhanced column efficiency 18-fold, to 85 000 plates/m at a linear velocity of 0.46 mm/s and a retention factor of 2.6, when compared to the parent monolith, the use of butyl methacrylate together with the carbon nanostructured monomer afforded monolithic columns with an efficiency for benzene exceeding 110 000 plates/m at a linear velocity of 0.32 mm/s and a retention factor of 4.2. This high efficiency is unprecedented for separations using porous polymer monoliths operating in an isocratic mode. Optimization of the chromatographic parameters affords near baseline separation of 6 alkylbenzenes in 3 min with an efficiency of 64 000 plates/m. The presence of 1 wt % or more of water in the polymerization mixture has a large effect on both the formation and reproducibility of the monoliths. Other factors such as nitrogen exposure, polymerization conditions, capillary filling method, and sonication parameters were all found to be important in producing highly efficient and reproducible monoliths. © 2011 American Chemical Society.

Polymer Solar Cells with Efficiency >10% Enabled via a Facile Solution-Processed Al-Doped ZnO Electron Transporting Layer

KAUST Repository

Jagadamma, Lethy Krishnan

2015-04-22

A facile and low-temperature (125 °C) solution-processed Al-doped ZnO (AZO) buffer layer functioning very effectively as electron accepting/hole blocking layer for a wide range of polymer:fullerene bulk heterojunction systems, yielding power conversion efficiency in excess of 10% (8%) on glass (plastic) substrates is described. The ammonia-treatment of the aqueous AZO nanoparticle solution produces compact, crystalline, and smooth thin films, which retain the aluminum doping, and eliminates/reduces the native defects by nitrogen incorporation, making them good electron transporters and energetically matched with the fullerene acceptor. It is demonstrated that highly efficient solar cells can be achieved without the need for additional surface chemical modifications of the buffer layer, which is a common requirement for many metal oxide buffer layers to yield efficient solar cells. Also highly efficient solar cells are achieved with thick AZO films (>50 nm), highlighting the suitability of this material for roll-to-roll coating. Preliminary results on the applicability of AZO as electron injection layer in F8BT-based polymer light emitting diode are also presented. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

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

International Nuclear Information System (INIS)

Wysocka-Zolopa, Monika; Winkler, Krzysztof; Caballero, Ruben; Langa, Fernando

2011-01-01

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

CHAPTER 3. High-performance Organic Photovoltaic Donor Polymers

KAUST Repository

Wadsworth, Andrew

2017-11-08

The field of organic photovoltaics has advanced a great deal over the last decade, with device efficiencies now exceeding 11%. A large part of this success can be attributed to the development of donor polymer materials, from their humble beginnings as homopolymers to the highly tuned push-pull copolymer and terpolymer materials that are now being reported on a regular basis. Through the careful use of chemical modification, it has been possible to design and synthesize a wide variety of donor polymers, allowing optimization of both the optoelectronic and structural properties of the materials. In doing so, more favourable active layer blends have been achieved and therefore significant improvements in device performance have been observed. Herein we discuss how the chemical design of donor polymers for organic photovoltaics has led to the emergence of high-performance materials.

CHAPTER 3. High-performance Organic Photovoltaic Donor Polymers

KAUST Repository

Wadsworth, Andrew; Baran, Derya; Gorman, Jeffrey; McCulloch, Iain

2017-01-01

The field of organic photovoltaics has advanced a great deal over the last decade, with device efficiencies now exceeding 11%. A large part of this success can be attributed to the development of donor polymer materials, from their humble beginnings as homopolymers to the highly tuned push-pull copolymer and terpolymer materials that are now being reported on a regular basis. Through the careful use of chemical modification, it has been possible to design and synthesize a wide variety of donor polymers, allowing optimization of both the optoelectronic and structural properties of the materials. In doing so, more favourable active layer blends have been achieved and therefore significant improvements in device performance have been observed. Herein we discuss how the chemical design of donor polymers for organic photovoltaics has led to the emergence of high-performance materials.

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....

Theory of interfacial charge-transfer complex photophysics in π-conjugated polymer-fullerene blends

Science.gov (United States)

Aryanpour, K.; Psiachos, D.; Mazumdar, S.

2010-03-01

We present a theory of the electronic structure and photophysics of 1:1 blends of derivatives of polyparaphenylenevinylene and fullerenes [1]. Within the same Coulomb-correlated Hamiltonian applied previously to interacting chains of single-component π-conjugated polymers [2], we find an exciplex state that occurs below the polymer's optical exciton. Weak absorption from the ground state occurs to the exciplex. We explain transient photoinduced absorptions in the blend [3], observed for both above-gap and below-gap photoexcitations, within our theory. Photoinduced absorptions for above-gap photoexcitation are from the optical exciton as well as the exciplex, while for below-gap photoexcitation induced absorptions are from the exciplex alone. In neither case are free polarons generated in the time scale of the experiment. Importantly, the photophysics of films of single-component π-conjugated polymers and blends can both be understood by extending Mulliken's theory of ground state charge-transfer to the case of excited state charge-transfer. [1] K. Aryanpour, D. Psiachos, and S. Mazumdar, arXiv:0908.0366 [2] D. Psiachos and S. Mazumdar, Phys. Rev. B. 79 155106 (2009) [3] T. Drori et al., Phys. Rev. Lett. 101, 037402 (2008)

Colloidal gold nanoparticles. Synthesis, characterization and effect in polymer/fullerene solar cells; Kolloidale Goldnanopartikel. Synthese, Charakterisierung und Wirkung in Polymer/Fulleren-Solarzellen

Energy Technology Data Exchange (ETDEWEB)

Topp, Katja

2011-06-08

It has been reported in the literature that the efficiency of polymer/fullerene solar cells has been improved by the incorporation of Au nanoparticles. The improvement was attributed to an enhanced electrical conductivity of the active layer and to an enhanced light absorption due to the plasmon resonance of the Au nanoparticles. In this work colloidal Au nanoparticles coated with different stabilizing ligands were synthesized and characterized. Then the impact of their incorporation into P3HT/PCBM solar cells was studied. On the one hand the Au nanoparticles were incorporated into the bulk heterojunction active layer, otherwise they were deposited as an interlayer in the device set-up. No improvement of the solar cell efficiency could be observed neither for the incorporation of Au nanoparticles with isolating ligand shell nor for those with direct contact to the photoactive molecules. The efficiency even dropped, the more the higher the concentration of the Au nanoparticles was. Possible reasons are pointed out on the basis of detailed photophysical and structural investigations.

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.

Stability and photodegradation mechanisms of conjugated polymer/fullerene plastic solar cells

NARCIS (Netherlands)

Neugebauer, H.; Brabec, C.; Hummelen, J.C.; Sariciftci, N.S.

2000-01-01

Degradation studies of poly(2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylene-vinylene) (MDMO-PPV), fullerenes ((6,6)-phenyl C-61-butyric acid methyl ester (PCBM) and C-60), and mixtures, which are the photoactive components in plastic solar cells, are shown. The degradation processes of the

Fullerene-Free Organic Solar Cells with an Efficiency of 10.2% and an Energy Loss of 0.59 eV Based on a Thieno[3,4-c]Pyrrole-4,6-dione-Containing Wide Band Gap Polymer Donor.

Science.gov (United States)

Hadmojo, Wisnu Tantyo; Wibowo, Febrian Tri Adhi; Ryu, Du Yeol; Jung, In Hwan; Jang, Sung-Yeon

2017-09-27

Although the combination of wide band gap polymer donors and narrow band gap small-molecule acceptors achieved state-of-the-art performance as bulk heterojunction (BHJ) active layers for organic solar cells, there have been only several of the wide band gap polymers that actually realized high-efficiency devices over >10%. Herein, we developed high-efficiency, low-energy-loss fullerene-free organic solar cells using a weakly crystalline wide band gap polymer donor, PBDTTPD-HT, and a nonfullerene small-molecule acceptor, ITIC. The excessive intermolecular stacking of ITIC is efficiently suppressed by the miscibility with PBDTTPD-HT, which led to a well-balanced nanomorphology in the PBDTTPD-HT/ITIC BHJ active films. The favorable optical, electronic, and energetic properties of PBDTTPD-HT with respect to ITIC achieved panchromatic photon-to-current conversion with a remarkably low energy loss (0.59 eV).

Cyclopentadithiophene-Benzothiadiazole Donor-Acceptor Polymers as Prototypical Semiconductors for High-Performance Field-Effect Transistors.

Science.gov (United States)

Li, Mengmeng; An, Cunbin; Pisula, Wojciech; Müllen, Klaus

2018-05-15

Donor-acceptor (D-A) conjugated polymers are of great interest as organic semiconductors, because they offer a rational tailoring of the electronic properties by modification of the donor and acceptor units. Nowadays, D-A polymers exhibit field-effect mobilities on the order of 10 -2 -10 0 cm 2 V -1 s -1 , while several examples showed a mobility over 10 cm 2 V -1 s -1 . The development of cyclopentadithiophene-benzothiadiazole (CDT-BTZ) copolymers one decade ago represents an important step toward high-performance organic semiconductors for field-effect transistors. The significant rise in field-effect mobility of CDT-BTZ in comparison to the existing D-A polymers at that time opened the door to a new research field with a large number of novel D-A systems. From this point, the device performance of CDT-BTZ was gradually improved by a systematic optimization of the synthesis and polymer structure as well as by an efficient solution processing into long-range ordered thin films. The key aspect was a comprehensive understanding of the relation between polymer structure and solid-state organization. Due to their fundamental role for the field of D-A polymers in general, this Account will for the first time explicitly focus on prototypical CDT-BTZ polymers, while other reviews provide an excellent general overview on D-A polymers. The first part of this Account discusses strategies for improving the charge carrier transport, focusing on chemical aspects. Improved synthesis as an essential stage toward high purity, and high molecular weight is a prerequisite for molecular order. The modification of substituents is a further crucial feature to tune the CDT-BTZ packing and self-assembly. Linear alkyl side chains facilitate intermolecular π-stacking interactions, while branched ones increase solubility and alter the polymer packing. Additional control over the supramolecular organization of CDT-BTZ polymers is introduced by alkenyl substituents via their cis

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

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

Efficient polymer solar cells on opaque substrates with a Laminated PEDOT : PSS top electrode

NARCIS (Netherlands)

Gupta, D.; Wienk, M.M.; Janssen, R.A.J.

2013-01-01

Solution processed polymer:fullerene solar cells on opaque substrates have been fabricated in conventional and inverted device configurations. Opaque substrates, such as insulated steel and metal covered glass, require a transparent conducting top electrode. We demonstrate that a high conducting

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

KAUST Repository

Douglas, Jessica D.; Chen, Mark S.; Niskala, Jeremy R.; Lee, Olivia P.; Yiu, Alan T.; Young, Eric P.; Frechet, Jean

2014-01-01

Solution-processed organic photovoltaic devices containing p-type and non-fullerene n-type small molecules obtain power conversion efficiencies as high as 2.4%. The optoelectronic properties of the n-type material BT(TTI-n12)2 allow these devices

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,...

Porous polymer monoliths functionalized through copolymerization of a C60 fullerene-containing methacrylate monomer for highly efficient separations of small molecules

KAUST Repository

Chambers, Stuart D.; Holcombe, Thomas W.; Švec, František; Frechet, Jean

2011-01-01

been prepared and their chromatographic performance have been tested for the separation of small molecules in the reversed phase. While addition of the C60-fullerene monomer to the glycidyl methacrylate-based monolith enhanced column efficiency 18-fold

High-Performance Pressure Sensor for Monitoring Mechanical Vibration and Air Pressure

Directory of Open Access Journals (Sweden)

Yancheng Meng

2018-05-01

Full Text Available To realize the practical applications of flexible pressure sensors, the high performance (sensitivity and response time as well as more functionalities are highly desired. In this work, we fabricated a piezoresistive pressure sensor based on the micro-structured composites films of multi-walled carbon nanotubes (MWCNTs and poly (dimethylsiloxane (PDMS. In addition, we establish efficient strategies to improve key performance of our pressure sensor. Its sensitivity is improved up to 474.13 kPa−1 by minimizing pressure independent resistance of sensor, and response time is shorten as small as 2 μs by enhancing the elastic modulus of polymer elastomer. Benefiting from the high performance, the functionalities of sensors are successfully extended to the accurate detection of high frequency mechanical vibration (~300 Hz and large range of air pressure (6–101 kPa, both of which are not achieved before.

New monomers for high performance polymers

Science.gov (United States)

Gratz, Roy F.

1993-01-01

This laboratory has been concerned with the development of new polymeric materials with high thermo-oxidative stability for use in the aerospace and electronics industries. Currently, there is special emphasis on developing matrix resins and composites for the high speed civil transport (HSCT) program. This application requires polymers that have service lifetimes of 60,000 hr at 350 F (177 C) and that are readily processible into void-free composites, preferably by melt-flow or powder techniques that avoid the use of high boiling solvents. Recent work has focused on copolymers which have thermally stable imide groups separated by flexible arylene ether linkages, some with trifluoromethyl groups attached to the aromatic rings. The presence of trifluoromethyl groups in monomers and polymers often improves their solubility and processibility. The goal of this research was to synthesize several new monomers containing pendant trifluoromethyl groups and to incorporate these monomers into new imide/arylene ether copolymers. Initially, work was begun on the synthesis of three target compounds. The first two, 3,5-dihydroxybenzo trifluoride and 3-amino 5-hydroxybenzo trifluoride, are intermediates in the synthesis of more complex monomers. The third, 3,5-bis (3-amino-phenoxy) benzotrifluoride, is an interesting diamine that could be incorporated into a polyimide directly.

Optimization of mechanical performance of oxidative nano-particle electrode nitrile butadiene rubber conducting polymer actuator.

Science.gov (United States)

Kim, Baek-Chul; Park, S J; Cho, M S; Lee, Y; Nam, J D; Choi, H R; Koo, J C

2009-12-01

Present work delivers a systematical evaluation of actuation efficiency of a nano-particle electrode conducting polymer actuator fabricated based on Nitrile Butadiene Rubber (NBR). Attempts are made for maximizing mechanical functionality of the nano-particle electrode conducting polymer actuator that can be driven in the air. As the conducting polymer polypyrrole of the actuator is to be fabricated through a chemical oxidation polymerization process that may impose certain limitations on both electrical and mechanical functionality of the actuator, a coordinated study for optimization process of the actuator is necessary for maximizing its performance. In this article actuation behaviors of the nano-particle electrode polypyrrole conducting polymer is studied and an optimization process for the mechanical performance maximization is performed.

Effect of process parameters on energy performance of spray drying with exhaust air heat recovery for production of high value particles

International Nuclear Information System (INIS)

Julklang, Wittaya; Golman, Boris

2015-01-01

Highlights: • We study heat recovery from spray dryer using air-to-air heat exchanger. • We examine dryer energy performance using advanced mathematical model. • We use the response surface methodology to study the effect of process parameters. • Energy efficiency up to 43.3% is obtained at high flow rate of dilute slurry. • Energy saving up to 52.4% is obtained at high drying air temperature. - Abstract: Spray drying process has been widely used in various industries for many decades for production of numerous materials. This paper explores the energy performance of an industrial scale spray dryer equipped with an exhaust air heat recovery system for production of high value particles. Energy efficiency and energy saving were calculated using a comprehensive mathematical model of spray drying. The response surface methodology (RSM) was utilized to study the effect of process parameters on energy performance using a space-filling design. The meta model equations were formulated employing the well-fitted response surface equations with adjusted R 2 larger than 0.995. The energy efficiency as high as 43.3% was obtained at high flow rate of dilute slurry, while the highest energy saving of 52.4% was found by combination of positive effect of drying air temperature and negative effect of slurry mass flow rate. The utilization of efficient air-to-air heat exchanger leads to an increase in energy efficiency and energy savings. The detailed temperature and vapor concentration profiles obtained with the model are also valuable in determining final product quality when spray dryer is operated at energy efficient conditions

Soluble fullerene derivatives : The effect of electronic structure on transistor performance and air stability

NARCIS (Netherlands)

Ball, James M.; Bouwer, Ricardo K.M.; Kooistra, Floris B.; Frost, Jarvist M.; Qi, Yabing; Buchaca Domingo, Ester; Smith, Jeremy; de Leeuw, Dago M.; Hummelen, Jan C.; Nelson, Jenny; Kahn, Antoine; Stingelin, Natalie; Bradley, Donal D.C.; Anthopoulos, Thomas D.

2011-01-01

The family of soluble fullerene derivatives comprises a widely studied group of electron transporting molecules for use in organic electronic and optoelectronic devices. For electronic applications, electron transporting (n-channel) materials are required for implementation into organic

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.

Polymer Processing and Characterization Laboratory

Data.gov (United States)

Federal Laboratory Consortium — The purpose is to process and evaluate polymers for use in nonlinear optical, conductive and structural Air Force applications. Primary capabilities are extrusion of...

Efficient Approach for Improving the Performance of Nonhalogenated Green Solvent-Processed Polymer Solar Cells via Ternary-Blend Strategy.

Science.gov (United States)

Kranthiraja, Kakaraparthi; Aryal, Um Kanta; Sree, Vijaya Gopalan; Gunasekar, Kumarasamy; Lee, Changyeon; Kim, Minseok; Kim, Bumjoon J; Song, Myungkwan; Jin, Sung-Ho

2018-04-10

The ternary-blend approach has the potential to enhance the power conversion efficiencies (PCEs) of polymer solar cells (PSCs) by providing complementary absorption and efficient charge generation. Unfortunately, most PSCs are processed with toxic halogenated solvents, which are harmful to human health and the environment. Herein, we report the addition of a nonfullerene electron 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:5,6- b']dithiophene (ITIC) to a binary blend (poly[4,8-bis(2-(4-(2-ethylhexyloxy)3-fluorophenyl)-5-thienyl)benzo[1,2- b:4,5- b']dithiophene- alt-1,3-bis(4-octylthien-2-yl)-5-(2-ethylhexyl)thieno[3,4- c]pyrrole-4,6-dione] (P1):[6,6]-phenyl-C 71 -butyric acid methyl ester (PC 71 BM), PCE = 8.07%) to produce an efficient nonhalogenated green solvent-processed ternary PSC system with a high PCE of 10.11%. The estimated wetting coefficient value (0.086) for the ternary blend suggests that ITIC could be located at the P1:PC 71 BM interface, resulting in efficient charge generation and charge transport. In addition, the improved current density, sustained open-circuit voltage and PCE of the optimized ternary PSCs were highly correlated with their better external quantum efficiency response and flat-band potential value obtained from the Mott-Schottky analysis. In addition, the ternary PSCs also showed excellent ambient stability over 720 h. Therefore, our results demonstrate the combination of fullerene and nonfullerene acceptors in ternary blend as an efficient approach to improve the performance of eco-friendly solvent-processed PSCs with long-term stability.

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...

High-Speed 3D Printing of High-Performance Thermosetting Polymers via Two-Stage Curing.

Science.gov (United States)

Kuang, Xiao; Zhao, Zeang; Chen, Kaijuan; Fang, Daining; Kang, Guozheng; Qi, Hang Jerry

2018-04-01

Design and direct fabrication of high-performance thermosets and composites via 3D printing are highly desirable in engineering applications. Most 3D printed thermosetting polymers to date suffer from poor mechanical properties and low printing speed. Here, a novel ink for high-speed 3D printing of high-performance epoxy thermosets via a two-stage curing approach is presented. The ink containing photocurable resin and thermally curable epoxy resin is used for the digital light processing (DLP) 3D printing. After printing, the part is thermally cured at elevated temperature to yield an interpenetrating polymer network epoxy composite, whose mechanical properties are comparable to engineering epoxy. The printing speed is accelerated by the continuous liquid interface production assisted DLP 3D printing method, achieving a printing speed as high as 216 mm h -1 . It is also demonstrated that 3D printing structural electronics can be achieved by combining the 3D printed epoxy composites with infilled silver ink in the hollow channels. The new 3D printing method via two-stage curing combines the attributes of outstanding printing speed, high resolution, low volume shrinkage, and excellent mechanical properties, and provides a new avenue to fabricate 3D thermosetting composites with excellent mechanical properties and high efficiency toward high-performance and functional applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diketopyrrolopyrrole-based polymer:fullerene nanoparticle films with thermally stable morphology for organic photovoltaic applications

Energy Technology Data Exchange (ETDEWEB)

Holmes, Natalie P. [Univ. of Newcastle, Callaghan NSW (Australia). Centre for Organic Electronics; Vaughan, Ben [Univ. of Newcastle, Callaghan NSW (Australia). Centre for Organic Electronics; CSIRO Energy Technology, Newcastle (Australia); Williams, Evan L. [Inst. of Materials Research and Engineering (IMRE), Agency for Science, Technology, and Research (A*STAR), Singapore (Singapore); Kroon, Renee [Univ. of South Australia, Mawson Lakes Campus, SA (Australia). Ian Wark Research Inst.; Chalmers Univ. of Technology, Goteborg (Sweden). Dept. of Chemical and Biological Engineering/Polymer Technology; Anderrson, Mats R. [Univ. of South Australia, Mawson Lakes Campus, SA (Australia). Ian Wark Research Inst.; Chalmers Univ. of Technology, Goteborg (Sweden). Dept. of Chemical and Biological Engineering/Polymer Technology; Kilcoyne, A. L. David [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Sonar, Prashant [Inst. of Materials Research and Engineering (IMRE), Agency for Science, Technology, and Research (A*STAR), Singapore (Singapore); Queensland Univ. of Technology (QUT), Brisbane (Australia). School of Chemistry, Physics and Mechanical Engineering; Zhou, Xiaojing [Univ. of Newcastle, Callaghan NSW (Australia). Centre for Organic Electronics; Dastoor, Paul C. [Univ. of Newcastle, Callaghan NSW (Australia). Centre for Organic Electronics; Belcher, Warwick J. [Univ. of Newcastle, Callaghan NSW (Australia). Centre for Organic Electronics

2017-02-02

Polymer:fullerene nanoparticles (NPs) offer two key advantages over bulk heterojunction (BHJ) films for organic photovoltaics (OPVs), water-processability and potentially superior morphological control. Once an optimal active layer morphology is reached, maintaining this morphology at OPV operating temperatures is key to the lifetime of a device. Here in this paper we study the morphology of the PDPP-TNT (poly{3,6-dithiophene-2-yl-2,5-di(2-octyldodecyl)-pyrrolo[3,4-c]pyrrole-1,4-dione-alt-naphthalene}):PC₇₁BM ([6,6]-phenyl C₇₁ butyric acid methyl ester) NP system and then compare the thermal stability of NP and BHJ films to the common poly(3-hexylthiophene) (P3HT): phenyl C₆₁ butyric acid methyl ester (PC₆₁BM) system. We find that material T_g plays a key role in the superior thermal stability of the PDPP-TNT:PC₇₁BM system; whereas for the P3HT:PC₆₁BM system, domain structure is critical.

Photophysical Study of DPPTT-T/PC70 BM Blends and Solar Devices as a Function of Fullerene Loading: An Insight into EQE Limitations of DPP-Based Polymers

KAUST Repository

Collado-Fregoso, Elisa

2016-12-27

Diketopyrrolopyrrole (DPP)-based polymers have been consistently used for the fabrication of solar cell devices and transistors due to the existence of intermolecular short contacts, resulting in high electron and hole mobilities. However, they also often show limited external quantum efficiencies (EQEs). In this contribution, the authors analyze the limitations on EQE by a combined study of exciton dissociation efficiency, charge separation, and recombination kinetics in thin films and solar devices of a DPP-based donor polymer, DPPTT-T (thieno[3,2-b]thiophene-diketopyrrolopyrrole copolymer) blended with varying weight fractions of the fullerene acceptor PCBM. From the correlations between photoluminescence quenching, transient absorption studies, and EQE measurements, it is concluded that the main limitation of photon-to-charge conversion in DPPTT-T/PCBM devices is poor exciton dissociation. This exciton quenching limit is related not only to the low affinity/miscibility of the materials, as confirmed by wide angle X-ray diffraction diffraction and transmission electron microscopy data, but also to the relatively short DPPTT-T singlet exciton lifetime, possibly associated with high nonradiative losses. A further strategy to improve EQE in this class of polymers without sacrificing the good extraction properties in optimized blends is therefore to limit those nonradiative decay processes.

Photophysical Study of DPPTT-T/PC70 BM Blends and Solar Devices as a Function of Fullerene Loading: An Insight into EQE Limitations of DPP-Based Polymers

KAUST Repository

Collado-Fregoso, Elisa; Deledalle, Florent; Utzat, Hendrik; Tuladhar, Pabitra S.; Dimitrov, Stoichko D.; Gillett, Alexander; Tan, Ching Hong; Zhang, Weimin; McCulloch, Iain; Durrant, James R.

2016-01-01

Diketopyrrolopyrrole (DPP)-based polymers have been consistently used for the fabrication of solar cell devices and transistors due to the existence of intermolecular short contacts, resulting in high electron and hole mobilities. However, they also often show limited external quantum efficiencies (EQEs). In this contribution, the authors analyze the limitations on EQE by a combined study of exciton dissociation efficiency, charge separation, and recombination kinetics in thin films and solar devices of a DPP-based donor polymer, DPPTT-T (thieno[3,2-b]thiophene-diketopyrrolopyrrole copolymer) blended with varying weight fractions of the fullerene acceptor PCBM. From the correlations between photoluminescence quenching, transient absorption studies, and EQE measurements, it is concluded that the main limitation of photon-to-charge conversion in DPPTT-T/PCBM devices is poor exciton dissociation. This exciton quenching limit is related not only to the low affinity/miscibility of the materials, as confirmed by wide angle X-ray diffraction diffraction and transmission electron microscopy data, but also to the relatively short DPPTT-T singlet exciton lifetime, possibly associated with high nonradiative losses. A further strategy to improve EQE in this class of polymers without sacrificing the good extraction properties in optimized blends is therefore to limit those nonradiative decay processes.

Slot-die Coating of a High Performance Copolymer in a Readily Scalable Roll Process for Polymer Solar Cells

DEFF Research Database (Denmark)

Helgesen, Martin; Carlé, Jon Eggert; Krebs, Frederik C

2013-01-01

reported compact coating/printing machine, which enables the preparation of PSCs that are directly scalable with full roll-to-roll processing. The positioning of the side-chains on the thiophene units proves to be very significant in terms of solubility of the polymers and consequently has a major impact...... on the device yield and process control. The most successful processing is accomplished with the polymer, PDTSTTz-4, that has the side-chains situated in the 4-position on the thiophene units. Inverted PSCs based on PDTSTTz-4 demonstrate high fill factors, up to 59%, even with active layer thicknesses well...... above 200 nm. Power conversion efficiencies of up to 3.5% can be reached with the roll-coated PDTSTTz-4:PCBM solar cells that, together with good process control and high device yield, designate PDTSTTz-4 as a convincing candidate for high-throughput roll-to-roll production of PSCs....

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

Polymer solar cells - Non toxic processing and stable polymer photovoltaic materials

Energy Technology Data Exchange (ETDEWEB)

Soendergaard, R

2012-07-01

high to allow processing on flexible substrates like PET. As a final result, the reduction in cleavage temperature of thermocleavable thiophene polymers with ester side chains, through acid catalysis have been examined. The study shows that substantial lowering of the temperatures can be obtained for tertiary, secondary and primary esters, but further research needs to be performed in order to transfer the reaction to solar cells. From a stability point of view, the current state of the art polymers are not stable enough to be processed by large area processing methods like roll-to-roll (R2R) coating techniques, as this has to be performed in air. This calls for the development of new materials, which can endure such processing conditions, and in this context it would be preferable to have a guideline towards which properties of a polymer that either induces stability or causes it to degrade. As part of a larger study, aiming at mapping the relative stability influence of different donors and acceptors in low-band-gap polymers, four polymers were synthesized for examination of their photochemical stabilities. Two of these were furthermore optimized for R2R processing and were tested together with other cells, in an outdoor study involving 8 countries. Panels containing the cells encapsulated in polyurethane were manufactured, measured and installed by travelling between the different locations. Following 4 1/2 months outdoor exposure the trip was done again in order to dismount the panels for shipment back to Denmark, where final characterization was made. The use of polyurethane for encapsulation showed improved conservations of the cells compared to previous studies. (Author)

Preparation and Preliminary Dielectric Characterization of Structured C60-Thiol-Ene Polymer Nanocomposites Assembled Using the Thiol-Ene Click Reaction

Directory of Open Access Journals (Sweden)

Hanaa M. Ahmed

2015-11-01

Full Text Available Fullerene-containing materials have the ability to store and release electrical energy. Therefore, fullerenes may ultimately find use in high-voltage equipment devices or as super capacitors for high electric energy storage due to this ease of manipulating their excellent dielectric properties and their high volume resistivity. A series of structured fullerene (C60 polymer nanocomposites were assembled using the thiol-ene click reaction, between alkyl thiols and allyl functionalized C60 derivatives. The resulting high-density C60-urethane-thiol-ene (C60-Thiol-Ene networks possessed excellent mechanical properties. These novel networks were characterized using standard techniques, including infrared spectroscopy (FTIR, differential scanning calorimetry (DSC, dynamic mechanical analysis (DMA, and thermal gravimetric analysis (TGA. The dielectric spectra for the prepared samples were determined over a broad frequency range at room temperature using a broadband dielectric spectrometer and a semiconductor characterization system. The changes in thermo-mechanical and electrical properties of these novel fullerene-thiol-ene composite films were measured as a function of the C60 content, and samples characterized by high dielectric permittivity and low dielectric loss were produced. In this process, variations in chemical composition of the networks were correlated to performance characteristics.

Efficient polymer:fullerene bulk heterojunction solar cells with n-type doped titanium oxide as an electron transport layer

Energy Technology Data Exchange (ETDEWEB)

Choi, Youna [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Geunjin [School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Heejoo, E-mail: heejook@gist.ac.kr [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Sun Hee [School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Lee, Kwanghee, E-mail: klee@gist.ac.kr [Heeger Center for Advanced Material & Research Institute of Solar and Sustainable Energies, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of)

2015-05-29

We have reported a highly n-type doped solution-processed titanium metal oxide (TiO{sub x}) for use as an efficient electron-transport layer (ETL) in polymer:fullerene bulk heterojunction (BHJ) solar cells. When the metal ions (Ti) in TiO{sub x} are partially substituted by niobium (Nb), the charge carrier density increased, by an order of magnitude, because of the large electronegativity of Nb compared to that of Ti. Therefore, the work function (WF) of Nb-doped metal oxide (Nb-TiO{sub x}) decreases from 4.75 eV (TiO{sub x}) to 4.66 eV (Nb-TiO{sub x}), leading to an enhancement in the power conversion efficiency (PCE) of BHJ solar cells with a Nb-TiO{sub x} ETL (from 7.99% to 8.40%). - Highlights: • Solution processable Nb-doped TiO{sub x} was developed by simple sol-gel synthesis. • Charge carrier density in TiO{sub x} is significantly increased by introducing Nb element. • The work function value of Nb-doped TiO{sub x} is reduced by introducing Nb element. • A charge recombination inside of PSC with Nb-TiO{sub x} was effectively suppressed.

Controlling solution-phase polymer aggregation with molecular weight and solvent additives to optimize polymer-fullerene bulk heterojunction solar cells

KAUST Repository

Bartelt, Jonathan A.; Douglas, Jessica D.; Mateker, William R.; El Labban, Abdulrahman; Tassone, Christopher J.; Toney, Michael F.; Fré chet, Jean Mj J; Beaujuge, Pierre; McGehee, Michael D.

2014-01-01

The bulk heterojunction (BHJ) solar cell performance of many polymers depends on the polymer molecular weight (M n) and the solvent additive(s) used for solution processing. However, the mechanism that causes these dependencies is not well

Inorganic fullerene-type WS2 nanoparticles: processing, characterization and its photocatalytic performance on malachite green

Science.gov (United States)

Hazarika, Saurabh Jyoti; Mohanta, Dambarudhar

2017-05-01

In this work, we have employed a hydrothermal route for the synthesis of fullerene-type tungsten disulfide (WS2) nanoparticles. X-ray diffraction analysis signifies a hexagonal crystal structure of WS2 with the crystallites experiencing preferred orientations along (002) and (103) planes. The agglomerated nanoparticles and inorganic fullerene (IF)-type structures are apparently observable from the high-resolution electron micrographs. Raman spectrum shows prominent E1_{{2{{g}}}} and A 1g modes emanating from the IF nano-WS2 system. The Tauc's plot obtained from the optical absorption data predicts a direct band gap of 1.91 eV for the nano-WS2 system; whereas, photoluminescence analysis reveals a broad emission peak located at 638 nm and is ascribed to the associated transition from the indirect to direct nature of the band gap. The photocatalytic decomposition of malachite green (MG) solution (30 mg/l) by WS2 (100 mg/l) under UV and visible light irradiation has been evaluated. The latter condition exhibited a better photocatalytic response with the MG degradation as high as 71.2%, revealed for 120 min. Photocatalytic and optoelectronic features of IF-type nano-WS2 would bring new insights not only to resolve issues related to environmental hazards, but also in functional devices of technological relevance.

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

Understanding the formation process of exceptionally long fullerene-based nanowires

DEFF Research Database (Denmark)

Solov'yov, Ilia; Geng, Junfeng; Solov'yov, Andrey V.

2009-01-01

solution of C$_60$. We have performed a thorough theoretical analysis, aiming at gaining an in-depth understanding of the exceptionally large aspect ratio of C$_60$-based nanowires. By accounting for different interactions in the system we have calculated the structures of the unit cell and determined...... the role of the fullerene and of the solvent molecules in the crystallization process of the nanowires. We have calculated the adhesion energy of C$_60$ molecules to the nanowire surface, and on the basis of this explained the growth anisotropy of the crystal. To get a more profound understanding...

Two-dimensional photonic crystal arrays for polymer:fullerene solar cells.

Science.gov (United States)

Nam, Sungho; Han, Jiyoung; Do, Young Rag; Kim, Hwajeong; Yim, Sanggyu; Kim, Youngkyoo

2011-11-18

We report the application of two-dimensional (2D) photonic crystal (PC) array substrates for polymer:fullerene solar cells of which the active layer is made with blended films of poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). The 2D PC array substrates were fabricated by employing a nanosphere lithography technique. Two different hole depths (200 and 300 nm) were introduced for the 2D PC arrays to examine the hole depth effect on the light harvesting (trapping). The optical effect by the 2D PC arrays was investigated by the measurement of optical transmittance either in the direction normal to the substrate (direct transmittance) or in all directions (integrated transmittance). The results showed that the integrated transmittance was higher for the 2D PC array substrates than the conventional planar substrate at the wavelengths of ca. 400 nm, even though the direct transmittance of 2D PC array substrates was much lower over the entire visible light range. The short circuit current density (J(SC)) was higher for the device with the 2D PC array (200 nm hole depth) than the reference device. However, the device with the 2D PC array (300 nm hole depth) showed a slightly lower J(SC) value at a high light intensity in spite of its light harvesting effect proven at a lower light intensity.

A Long-Life Lithium-Air Battery in Ambient Air with a Polymer Electrolyte Containing a Redox Mediator.

Science.gov (United States)

Guo, Ziyang; Li, Chao; Liu, Jingyuan; Wang, Yonggang; Xia, Yongyao

2017-06-19

Lithium-air batteries when operated in ambient air generally exhibit poor reversibility and cyclability, because of the Li passivation and Li 2 O 2 /LiOH/Li 2 CO 3 accumulation in the air electrode. Herein, we present a Li-air battery supported by a polymer electrolyte containing 0.05 m LiI, in which the polymer electrolyte efficiently alleviates the Li passivation induced by attacking air. Furthermore, it is demonstrated that I - /I 2 conversion in polymer electrolyte acts as a redox mediator that facilitates electrochemical decomposition of the discharge products during recharge process. As a result, the Li-air battery can be stably cycled 400 times in ambient air (relative humidity of 15 %), which is much better than previous reports. The achievement offers a hope to develop the Li-air battery that can be operated in ambient air. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Doped polymer electrodes for high performance ferroelectric capacitors on plastic substrates

KAUST Repository

Khan, M. A.

2012-10-03

Flexible ferroelectric capacitors with doped polymer electrodes have been fabricated on plastic substrates with performance as good as metal electrodes. The effect of doping on the morphology of polymer electrodes and its impact on device performance have been studied. Improved fatigue characteristics using doped and undoped poly (3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) electrodes versus metal electrodes are observed. It is shown that the polymer electrodes follow classical ferroelectric and dielectric responses, including series resistance effects. The improved device characteristics obtained using highly conducting doped PEDOT:PSS suggest that it may be used both as an electrode and as global interconnect for all-polymer transparent circuits on flexible substrates.

Semiconducting Polymer Photodetectors with Electron and Hole Blocking Layers: High Detectivity in the Near-Infrared

Directory of Open Access Journals (Sweden)

Xiong Gong

2010-07-01

Full Text Available Sensing from the ultraviolet-visible to the infrared is critical for a variety of industrial and scientific applications. Photodetectors with broad spectral response, from 300 nm to 1,100 nm, were fabricated using a narrow-band gap semiconducting polymer blended with a fullerene derivative. By using both an electron-blocking layer and a hole-blocking layer, the polymer photodetectors, operating at room temperature, exhibited calculated detectivities greater than 1013 cm Hz1/2/W over entire spectral range with linear dynamic range approximately 130 dB. The performance is comparable to or even better than Si photodetectors.

The interplay of nanostructure and efficiency of polymer solar cells

Energy Technology Data Exchange (ETDEWEB)

Chunhong, Yin

2008-12-04

The aim of this thesis is to achieve a deep understanding of the working mechanism of polymer based solar cells and to improve the device performance. Two types of the polymer based solar cells are studied here: the polymer-polymer solar cells, and the polymer-small molecule solar cell which has polymer as electron donor incorporating with organic small molecule as electron acceptor. For the polymer-polymer devices, I compared the photocurrent characteristics of bilayer and blend devices as well as the blend devices with different nano-morphology, which is fine tuned by applying solvents with different boiling points. The main conclusion based on the complementary measurements is that the performance-limiting step is the field-dependent generation of free charge carriers, while bimolecular recombination and charge extraction do not compromise device performance. Regarding polymer-small molecular hybrid solar cells I combined the hole-transporting polymer M3EH-PPV with a novel small molecule electron acceptor vinazene. This molecule can be either deposited from solution or by thermal evaporation, allowing for a large variety of layer architectures to be realized. I then demonstrated that the layer architecture has a large influence on the photovoltaic properties. Solar cells with very high fill factors of up to 57 % and an open circuit voltage of 1V without thermal treatment of the devices were achieved. In the past, fill factors of solar cells exceeding 50 % have only been observed when using fullerene-derivatives as the electron-acceptor. The finding that proper processing of polymer-vinazene devices leads to similar high values is a major step towards the design of efficient polymer-based solar cells. (orig.)

GAP pre-polymer, as an energetic binder and high performance additive for propellants and explosives: A review

Directory of Open Access Journals (Sweden)

Mehmet S. Eroglu

2017-08-01

Full Text Available In preparation of energetic composite formulations, functionally terminated pre-polymers have been used as binder. After physically mixing the pre-polymers with oxidizing components, metallic fuel, burning rate modifier and other minor ingredients, they are cured with a suitable curing agent to provide physical and chemical stability. These pre-polymers could be functionalized with carboxyl, epoxide or hydroxyl groups at varying average chain functionalities. For carboxyl-terminated pre-polymers, an epoxy functional curing agents could be used. If the pre-polymer possesses hydroxyl groups, isocyanate functional curing agents are the most suitable curing agents in terms of easy and efficient processing. Glycidyl azide polymer (GAP is one of the well-known low-molecular weight energetic liquid pre-polymer, which was developed to use as energetic binder, high performance additive and gas generator for high performance smokeless composite propellant and explosive formulations. Linear or branched GAP can be synthesized by nucleophilic substitution reaction of corresponding poly(epichlorohydrin (PECH with sodium azide through replacement of chloromethyl groups of PECH with pendant energetic azido-methyl groups on the polyether main chain. Positive heat of formation (+957 kJ/kg enables exothermic and rapid decomposition of GAP producing fuel rich gases. Its polyether main chain provides GAP with relatively low glass transition temperature (Tg= - 48 oC and presence of hydroxyl functional groups allows it to have easy processing in curing with isocyanate curing agents to form covalently crosslinked polyurethane structure. These outstanding properties of GAP enable it to be used as energetic polymeric binder and high performance additive in preparation of energetic materials and low vulnerable explosives.

Flexible organic/inorganic hybrid solar cells based on conjugated polymer and ZnO nanorod array

International Nuclear Information System (INIS)

Tong, Fei; Kim, Kyusang; Martinez, Daniel; Thapa, Resham; Ahyi, Ayayi; Williams, John; Park, Minseo; Kim, Dong-Joo; Lee, Sungkoo; Lim, Eunhee; Lee, Kyeong K

2012-01-01

We report on the photovoltaic characteristics of organic/inorganic hybrid solar cells fabricated on ‘flexible’ transparent substrates. The solar cell device is composed of ZnO nanorod array and the bulk heterojunction structured organic layer which is the blend of poly(3-hexylthiophene) (P3HT) and (6,6)-phenyl C61 butyric acid methyl ester (PCBM). The ZnO nanorod array was grown on indium tin oxide (ITO)-coated polyethylene terephthalate (PET) substrates via a low-temperature (85 °C) aqueous solution process. The blend solution consisting of conjugated polymer P3HT and fullerene PCBM was spin coated at a low spinning rate of 400 rpm on top of the ZnO nanorod array structure and then the photoactive layer was slow dried at room temperature in air to promote its infiltration into the nanorod network. As a top electrode, silver was sputtered on top of the photoactive layer. The flexible solar cell with the structure of PET/ITO/ZnO thin film/ZnO nanorods/P3HT:PCBM/Ag exhibited a photovoltaic performance with an open circuit voltage (V OC ) of 0.52 V, a short circuit current density (J SC ) of 9.82 mA cm −2 , a fill factor (FF) of 35% and a power conversion efficiency (η) of 1.78%. All the measurements were performed under 100 mW cm −2 of illumination with an air mass 1.5 G filter. To the best of our knowledge, this is the first presentation of investigation into the fabrication and characterization of organic/inorganic hybrid solar cells based on bulk heterojunction structured conjugated polymer/fullerene photoactive layer and ZnO nanorod array constructed on flexible transparent substrates. (paper)

Effects of Intercalation on the Hole Mobility of Amorphous Semiconducting Polymer Blends

KAUST Repository

Cates, Nichole C.

2010-06-08

Fullerenes have been shown to intercalate between the side chains of many crystalline and semicrystalline polymers and to affect the properties of polymer:fullerene bulk heterojunction solar cells. Here we present the first in-depth study of intercalation in an amorphous polymer. We study blends of the widely studied amorphous polymer poly(2-methoxy-5-(3studied amorphous polymer poly(,7·studied amorphous polymer poly(-dimethyloctyloxy)-p-phenylene vinylene) (MDMO-PPV) with a variety of molecules using photoluminescence measurements, scanning electron microscopy, and space-charge limited current mobility measurements. The blends with elevated hole mobilities exhibit complete photoluminescence quenching and show no phase separation in a scanning electron microscope. We conclude that intercalation occurs in MDMO-PPV:fullerene blends and is responsible for the increase in the MDMO-PPV hole mobility by several orders of magnitude when it is blended with fullerenes, despite the dilution of the hole-conducting polymer with an electron acceptor. © 2010 American Chemical Society.

Inorganic fullerene-type WS_2 nanoparticles: processing, characterization and its photocatalytic performance on malachite green

International Nuclear Information System (INIS)

Hazarika, Saurabh Jyoti; Mohanta, Dambarudhar

2017-01-01

In this work, we have employed a hydrothermal route for the synthesis of fullerene-type tungsten disulfide (WS_2) nanoparticles. X-ray diffraction analysis signifies a hexagonal crystal structure of WS_2 with the crystallites experiencing preferred orientations along (002) and (103) planes. The agglomerated nanoparticles and inorganic fullerene (IF)-type structures are apparently observable from the high-resolution electron micrographs. Raman spectrum shows prominent E"1_2_g and A_1_g modes emanating from the IF nano-WS_2 system. The Tauc's plot obtained from the optical absorption data predicts a direct band gap of ∝1.91 eV for the nano-WS_2 system; whereas, photoluminescence analysis reveals a broad emission peak located at ∝638 nm and is ascribed to the associated transition from the indirect to direct nature of the band gap. The photocatalytic decomposition of malachite green (MG) solution (30 mg/l) by WS_2 (100 mg/l) under UV and visible light irradiation has been evaluated. The latter condition exhibited a better photocatalytic response with the MG degradation as high as 71.2%, revealed for 120 min. Photocatalytic and optoelectronic features of IF-type nano-WS_2 would bring new insights not only to resolve issues related to environmental hazards, but also in functional devices of technological relevance. (orig.)

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

Developing Flexible, High Performance Polymers with Self-Healing Capabilities

Science.gov (United States)

Jolley, Scott T.; Williams, Martha K.; Gibson, Tracy L.; Caraccio, Anne J.

2011-01-01

Flexible, high performance polymers such as polyimides are often employed in aerospace applications. They typically find uses in areas where improved physical characteristics such as fire resistance, long term thermal stability, and solvent resistance are required. It is anticipated that such polymers could find uses in future long duration exploration missions as well. Their use would be even more advantageous if self-healing capability or mechanisms could be incorporated into these polymers. Such innovative approaches are currently being studied at the NASA Kennedy Space Center for use in high performance wiring systems or inflatable and habitation structures. Self-healing or self-sealing capability would significantly reduce maintenance requirements, and increase the safety and reliability performance of the systems into which these polymers would be incorporated. Many unique challenges need to be overcome in order to incorporate a self-healing mechanism into flexible, high performance polymers. Significant research into the incorporation of a self-healing mechanism into structural composites has been carried out over the past decade by a number of groups, notable among them being the University of I1linois [I]. Various mechanisms for the introduction of self-healing have been investigated. Examples of these are: 1) Microcapsule-based healant delivery. 2) Vascular network delivery. 3) Damage induced triggering of latent substrate properties. Successful self-healing has been demonstrated in structural epoxy systems with almost complete reestablishment of composite strength being achieved through the use of microcapsulation technology. However, the incorporation of a self-healing mechanism into a system in which the material is flexible, or a thin film, is much more challenging. In the case of using microencapsulation, healant core content must be small enough to reside in films less than 0.1 millimeters thick, and must overcome significant capillary and surface

The effect of branching in a semiconducting polymer on the efficiency of organic photovoltaic cells

NARCIS (Netherlands)

Heintges, G.H.L.; van Franeker, J.J.; Wienk, M.M.; Janssen, R.A.J.

2016-01-01

The impact of branching in a diketopyrrolopyrrole polymer on the performance of polymer–fullerene photovoltaic cells is investigated. Compared to the linear polymer, the branched polymer affords a more finely dispersed fibrillar network in the photoactive layer and as a result a large enhancement of

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.

Bioinspired phospholipid polymer biomaterials for making high performance artificial organs

Directory of Open Access Journals (Sweden)

K Ishihara

2000-01-01

Full Text Available Novel polymer biomaterials, which can be used in contact with blood, are prepared with strong inspiration from the surface structure of biomembrane. That is, the polymers with a phospholipid polar group in the side chain, 2-methacrylooyloxyethyl phosphorylcholine (MPC polymers were synthesized. The MPC polymers can inhibit surface-induced clot formation effectively, when they are in contact with blood even in the absence of an anticoagulant. This phenomenon was due to the reduction of plasma protein and suppression of denaturation of adsorbed proteins, that is the MPC polymers interact with blood components very mildly. As the molecular structure of the MPC polymer was easily designed by changing the monomer units and their composition, it could be applied to surface modification of artificial organs and biomedical devices for improving blood and tissue compatibility. Thus, the MPC polymers are useful polymer biomaterials for manufacturing high performance artificial organs and biomedical devices to provide safe medical treatments.

Fate and biological effects of silver, titanium dioxide, and C60 (fullerene) nanomaterials during simulated wastewater treatment processes

International Nuclear Information System (INIS)

Wang, Yifei; Westerhoff, Paul; Hristovski, Kiril D.

2012-01-01

As engineered nanomaterials (NMs) become used in industry and commerce their loading to sewage will increase. In this research, sequencing batch reactors (SBRs) were operated with hydraulic (HRT) and sludge (SRT) retention times representative of full-scale biological WWTPs for several weeks. Under environmentally relevant NM loadings and biomass concentrations, NMs had negligible effects on ability of the wastewater bacteria to biodegrade organic material, as measured by chemical oxygen demand (COD). Carboxy-terminated polymer coated silver nanoparticles (fn-Ag) were removed less effectively (88% removal) than hydroxylated fullerenes (fullerols; >90% removal), nano TiO 2 (>95% removal) or aqueous fullerenes (nC 60 ; >95% removal). Experiments conducted over 4 months with daily loadings of nC 60 showed that nC 60 removal from solution depends on the biomass concentration. Under conditions representative of most suspended growth biological WWTPs (e.g., activated sludge), most of the NMs will accumulate in biosolids rather than in liquid effluent discharged to surface waters. Significant fractions of fn-Ag were associated with colloidal material which suggests that efficient particle separation processes (sedimentation or filtration) could further improve removal of NM from effluent.

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

The Influence of Morphology on High-Performance Polymer Field-Effect Transistors

DEFF Research Database (Denmark)

Tsao, Hoi Nok; Cho, Don; Andreasen, Jens Wenzel

2009-01-01

The influence of molecular packing on the performance of polymer organic field-effect transistors is illustrated in this work. Both close -stacking distance and long-range order are important for achieving high mobilities. By aligning the polymers from solution, long-range order is induced...

Optical limiting study of C60 doped (dimethylandicarboxylate) /poly (ethylacetylenecarboxy)polymer

International Nuclear Information System (INIS)

Zidan, M.D.; Allaf, A.W.

2011-10-01

The optical limiting action of poly(dimethylacetylendicarboxylate) polymer and poly(ethylacetylendicarboxylate) polymer doped with fullerene C 6 0 has been investigated under irradiation with 10 ns laser pulse at 532 nm. The optical limiting measurements were performed at different doping concentrations. The threshold limiting fluence decreased at high doping concentrations, at the same time the optical limiting efficiency has been increased. An explanation based on the combination of two-photon absorption and reverse saturable absorption was proposed for its nonlinear optical absorption behavior. (author)

Dye-Incorporated Polynaphthalenediimide Acceptor for Additive-Free High-Performance All-Polymer Solar Cells.

Science.gov (United States)

Chen, Dong; Yao, Jia; Chen, Lie; Yin, Jingping; Lv, Ruizhi; Huang, Bin; Liu, Siqi; Zhang, Zhi-Guo; Yang, Chunhe; Chen, Yiwang; Li, Yongfang

2018-04-16

All-polymer solar cells (all-PSCs) can offer unique advantages for applications in flexible devices, and naphthalene diimide (NDI)-based polymer acceptors are the widely used polymer acceptors. However, their power conversion efficiency (PCE) still lags behind that of state-of-the-art polymer solar cells, due to low light absorption, suboptimal energy levels and the strong aggregation of the NDI-based polymer acceptor. Herein, a rhodanine-based dye molecule was introduced into the NDI-based polymer acceptor by simple random copolymerization and showed an improved light absorption coefficient, an up-shifted lowest unoccupied molecular orbital level and reduced crystallization. Consequently, additive-free all-PSCs demonstrated a high PCE of 8.13 %, which is one of the highest performance characteristics reported for all-PSCs to date. These results indicate that incorporating a dye into the n-type polymer gives insight into the precise design of high-performance polymer acceptors for all-PSCs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of hybrid carbon nanotubes-bimetallic composite particles on the performance of polymer solar cells

Energy Technology Data Exchange (ETDEWEB)

Park, Sun-Young [Department of Material Processing, Korea Institute of Materials Science, Changwon 641-831 (Korea); Division of Applied Chemical Engineering, Department of Polymer Engineering, Pukyong National University, Busan 608-739 (Korea); Kim, Whi-Dong; Kim, Soo H. [Department of Nanosystem and Nanoprocess Engineering, Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea); Kim, Do-Geun; Kim, Jong-Kuk; Jeong, Yong-Soo; Kang, Jae-Wook [Department of Material Processing, Korea Institute of Materials Science, Changwon 641-831 (Korea); Kim, Joo Hyun [Division of Applied Chemical Engineering, Department of Polymer Engineering, Pukyong National University, Busan 608-739 (Korea); Lee, Jae Keun [School of Mechanical Engineering, Pusan National University, 30 Jangjeon-dong, Geumjeong-gu, Busan 609-735 (Korea)

2010-05-15

Hybrid carbon nanotubes-bimetallic composite nanoparticles with sea urchin-like structures (SU-CNTs) were introduced to bulk heterojunction polymer-fullerene solar cells to improve their performance. The SU-CNTs were composed of multi-walled CNTs, which were grown radially over the entire surface of the bimetallic nanoparticles composed of Ni and Al. SU-CNTs with a precisely controlled length of {proportional_to}200{+-}40 nm were dispersed homogenously in a polymer active layer. Compared with a pristine device (i.e., without SU-CNTs), the SU-CNTs-doped organic photovoltaic (OPV) cells showed an improved short-circuit current density and power conversion efficiency from 7.5 to 9.5 mA/cm{sup 2} and 2.1{+-}0.1% to 2.2{+-}0.2% (max. 2.5%), respectively. The specially designed SU-CNTs have strong potential as an effective exciton dissociation medium in the polymer active layer to enhance the performance of organic solar cells. (author)

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

DEFF Research Database (Denmark)

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

2012-01-01

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

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)

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

KAUST Repository

Burkhard, George F.; Hoke, Eric T.; Beiley, Zach M.; McGehee, Michael D.

2012-01-01

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

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

KAUST Repository

Burkhard, George F.

2012-12-20

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

Planar-Processed Polymer Transistors.

Science.gov (United States)

Xu, Yong; Sun, Huabin; Shin, Eul-Yong; Lin, Yen-Fu; Li, Wenwu; Noh, Yong-Young

2016-10-01

Planar-processed polymer transistors are proposed where the effective charge injection and the split unipolar charge transport are all on the top surface of the polymer film, showing ideal device characteristics with unparalleled performance. This technique provides a great solution to the problem of fabrication limitations, the ambiguous operating principle, and the performance improvements in practical applications of conjugated-polymer transistors. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Direct observation of the ultrafast electron transfer process in a polymer/fullerene blend

NARCIS (Netherlands)

Cerullo, G.; Lanzani, G.; Silvestri, S. De; Brabec, Ch.J.; Zerza, G.; Sariciftci, N.S.; Hummelen, J.C.

2000-01-01

Photoinduced electron transfer in organic molecules is an extensively investigated topic both because of fundamental interest in the photophysics and for applications to artificial photosynthesis. Highly efficient ultrafast electron transfer from photoexcited conjugated polymers to C60 has been

Localized etching of polymer films using an atmospheric pressure air microplasma jet

International Nuclear Information System (INIS)

Guo, Honglei; Liu, Jingquan; Yang, Bin; Chen, Xiang; Yang, Chunsheng

2015-01-01

A direct-write process device based on the atmospheric pressure air microplasma jet (AμPJ) has been developed for the localized etching of polymer films. The plasma was generated by the air discharge ejected out through a tip-nozzle (inner diameter of 100 μm), forming the microplasma jet. The AμPJ was capable of reacting with the polymer surface since it contains a high concentration of oxygen reactive species and thus resulted in the selective removal of polymer films. The experimental results demonstrated that the AμPJ could fabricate different microstructures on a parylene-C film without using any masks or causing any heat damage. The etch rate of parylene-C reached 5.1 μm min −1 and microstructures of different depth and width could also be realized by controlling two process parameters, namely, the etching time and the distance between the nozzle and the substrate. In addition, combining XPS analysis and oxygen-induced chemical etching principles, the potential etching mechanism of parylene-C by the AμPJ was investigated. Aside from the etching of parylene-C, micro-holes on the photoresist and polyimide film were successfully created by the AμPJ. In summary, maskless pattern etching of polymer films could be achieved using this AμPJ. (paper)

Effects of Intercalation on the Hole Mobility of Amorphous Semiconducting Polymer Blends

KAUST Repository

Cates, Nichole C.; Gysel, Roman; Dahl, Jeremy E. P.; Sellinger, Alan; McGehee, Michael D.

2010-01-01

Fullerenes have been shown to intercalate between the side chains of many crystalline and semicrystalline polymers and to affect the properties of polymer:fullerene bulk heterojunction solar cells. Here we present the first in-depth study

Etching of polymers, proteins and bacterial spores by atmospheric pressure DBD plasma in air

Science.gov (United States)

Kuzminova, A.; Kretková, T.; Kylián, O.; Hanuš, J.; Khalakhan, I.; Prukner, V.; Doležalová, E.; Šimek, M.; Biederman, H.

2017-04-01

Many studies proved that non-equilibrium discharges generated at atmospheric pressure are highly effective for the bio-decontamination of surfaces of various materials. One of the key processes that leads to a desired result is plasma etching and thus the evaluation of etching rates of organic materials is of high importance. However, the comparison of reported results is rather difficult if impossible as different authors use diverse sources of atmospheric plasma that are operated at significantly different operational parameters. Therefore, we report here on the systematic study of the etching of nine different common polymers that mimic the different structures of more complicated biological systems, bovine serum albumin (BSA) selected as the model protein and spores of Bacillus subtilis taken as a representative of highly resistant micro-organisms. The treatment of these materials was performed by means of atmospheric pressure dielectric barrier discharge (DBD) sustained in open air at constant conditions. All tested polymers, BSA and spores, were readily etched by DBD plasma. However, the measured etching rates were found to be dependent on the chemical structure of treated materials, namely on the presence of oxygen in the structure of polymers.

High temperature performance of polymer composites

CERN Document Server

Keller, Thomas

2014-01-01

The authors explain the changes in the thermophysical and thermomechanical properties of polymer composites under elevated temperatures and fire conditions. Using microscale physical and chemical concepts they allow researchers to find reliable solutions to their engineering needs on the macroscale. In a unique combination of experimental results and quantitative models, a framework is developed to realistically predict the behavior of a variety of polymer composite materials over a wide range of thermal and mechanical loads. In addition, the authors treat extreme fire scenarios up to more than 1000°C for two hours, presenting heat-protection methods to improve the fire resistance of composite materials and full-scale structural members, and discuss their performance after fire exposure. Thanks to the microscopic approach, the developed models are valid for a variety of polymer composites and structural members, making this work applicable to a wide audience, including materials scientists, polymer chemist...

High Performance Macromolecular Material

National Research Council Canada - National Science Library

Forest, M

2002-01-01

.... In essence, most commercial high-performance polymers are processed through fiber spinning, following Nature and spider silk, which is still pound-for-pound the toughest liquid crystalline polymer...

Enantiopure vs. Racemic Naphthalimide End-Capped Helicenic Non-Fullerene Electron Acceptors: Impact on Organic Photovoltaics Performance

OpenAIRE

Josse , Pierre; Favereau , Ludovic; Shen , Chengshuo; Dabos-Seignon , Sylvie; Blanchard , Philippe; Cabanetos , Clement; Crassous , Jeanne

2017-01-01

International audience; Impact of the enantiopurity on organic photovoltaics (OPV) performance was investigated through the synthesis of racemic and enantiomerically pure naphthalimide end-capped helicenes and their application as non-fullerene molecular electron acceptors in OPV devices. A very strong increase of the device performance was observed by simply switching from the racemic to the enantiopure forms of these π-helical non-fullerene acceptors with power conversion efficiencies jumpi...

Mesostructured Fullerene Electrodes for Highly Efficient n–i–p Perovskite Solar Cells

KAUST Repository

Zhong, Yufei

2016-10-21

Electron-transporting layers in today\\'s stateof-the-art n-i-p organohalide perovskite solar cells are almost exclusively made of metal oxides. Here, we demonstrate a novel mesostructured fullerene-based electron-transporting material (ETM) that is crystalline, hydrophobic, and cross-linked, rendering it solvent-and heat resistant for subsequent perovskite solar cell fabrication The fullerene ETM is shown to enhance the structural and electronic properties of the CH3NH3PbI3 layer grown atop, reducing its Urbach energy from similar to 26 to 21 meV, while also increasing crystallite size and improving texture. The resulting mesostructured n-i-p solar cells achieve reduced recombination, improved device-to-device variation, reduced hysteresis, and a power conversion efficiency above 15%, surpassing the performance of similar devices prepared using mesoporous TiO2 and well above the performance of planar heterojunction devices on amorphous or crystalline [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM). This work is the first demonstration of a viable, hydrophobic, and high-performance mesostructured electron-accepting contact to work effectively in n-i-p perovskite solar cells.

Fused electron deficient semiconducting polymers for air stable electron transport

KAUST Repository

Onwubiko, Ada

2018-01-23

Conventional semiconducting polymer synthesis typically involves transition metal-mediated coupling reactions that link aromatic units with single bonds along the backbone. Rotation around these bonds contributes to conformational and energetic disorder and therefore potentially limits charge delocalisation, whereas the use of transition metals presents difficulties for sustainability and application in biological environments. Here we show that a simple aldol condensation reaction can prepare polymers where double bonds lock-in a rigid backbone conformation, thus eliminating free rotation along the conjugated backbone. This polymerisation route requires neither organometallic monomers nor transition metal catalysts and offers a reliable design strategy to facilitate delocalisation of frontier molecular orbitals, elimination of energetic disorder arising from rotational torsion and allowing closer interchain electronic coupling. These characteristics are desirable for high charge carrier mobilities. Our polymers with a high electron affinity display long wavelength NIR absorption with air stable electron transport in solution processed organic thin film transistors.

Fused electron deficient semiconducting polymers for air stable electron transport

KAUST Repository

Onwubiko, Ada; Yue, Wan; Jellett, Cameron; Xiao, Mingfei; Chen, Hung-Yang; Ravva, Mahesh Kumar; Hanifi, David A.; Knall, Astrid-Caroline; Purushothaman, Balaji; Nikolka, Mark; Flores, Jean-Charles; Salleo, Alberto; Bredas, Jean-Luc; Sirringhaus, Henning; Hayoz, Pascal; McCulloch, Iain

2018-01-01

Conventional semiconducting polymer synthesis typically involves transition metal-mediated coupling reactions that link aromatic units with single bonds along the backbone. Rotation around these bonds contributes to conformational and energetic disorder and therefore potentially limits charge delocalisation, whereas the use of transition metals presents difficulties for sustainability and application in biological environments. Here we show that a simple aldol condensation reaction can prepare polymers where double bonds lock-in a rigid backbone conformation, thus eliminating free rotation along the conjugated backbone. This polymerisation route requires neither organometallic monomers nor transition metal catalysts and offers a reliable design strategy to facilitate delocalisation of frontier molecular orbitals, elimination of energetic disorder arising from rotational torsion and allowing closer interchain electronic coupling. These characteristics are desirable for high charge carrier mobilities. Our polymers with a high electron affinity display long wavelength NIR absorption with air stable electron transport in solution processed organic thin film transistors.

Fused electron deficient semiconducting polymers for air stable electron transport.

Science.gov (United States)

Onwubiko, Ada; Yue, Wan; Jellett, Cameron; Xiao, Mingfei; Chen, Hung-Yang; Ravva, Mahesh Kumar; Hanifi, David A; Knall, Astrid-Caroline; Purushothaman, Balaji; Nikolka, Mark; Flores, Jean-Charles; Salleo, Alberto; Bredas, Jean-Luc; Sirringhaus, Henning; Hayoz, Pascal; McCulloch, Iain

2018-01-29

Conventional semiconducting polymer synthesis typically involves transition metal-mediated coupling reactions that link aromatic units with single bonds along the backbone. Rotation around these bonds contributes to conformational and energetic disorder and therefore potentially limits charge delocalisation, whereas the use of transition metals presents difficulties for sustainability and application in biological environments. Here we show that a simple aldol condensation reaction can prepare polymers where double bonds lock-in a rigid backbone conformation, thus eliminating free rotation along the conjugated backbone. This polymerisation route requires neither organometallic monomers nor transition metal catalysts and offers a reliable design strategy to facilitate delocalisation of frontier molecular orbitals, elimination of energetic disorder arising from rotational torsion and allowing closer interchain electronic coupling. These characteristics are desirable for high charge carrier mobilities. Our polymers with a high electron affinity display long wavelength NIR absorption with air stable electron transport in solution processed organic thin film transistors.

Boosting the ambipolar performance of solution-processable polymer semiconductors via hybrid side-chain engineering.

Science.gov (United States)

Lee, Junghoon; Han, A-Reum; Yu, Hojeong; Shin, Tae Joo; Yang, Changduk; Oh, Joon Hak

2013-06-26

Ambipolar polymer semiconductors are highly suited for use in flexible, printable, and large-area electronics as they exhibit both n-type (electron-transporting) and p-type (hole-transporting) operations within a single layer. This allows for cost-effective fabrication of complementary circuits with high noise immunity and operational stability. Currently, the performance of ambipolar polymer semiconductors lags behind that of their unipolar counterparts. Here, we report on the side-chain engineering of conjugated, alternating electron donor-acceptor (D-A) polymers using diketopyrrolopyrrole-selenophene copolymers with hybrid siloxane-solubilizing groups (PTDPPSe-Si) to enhance ambipolar performance. The alkyl spacer length of the hybrid side chains was systematically tuned to boost ambipolar performance. The optimized three-dimensional (3-D) charge transport of PTDPPSe-Si with pentyl spacers yielded unprecedentedly high hole and electron mobilities of 8.84 and 4.34 cm(2) V(-1) s(-1), respectively. These results provide guidelines for the molecular design of semiconducting polymers with hybrid side chains.

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.

Catalytic phosphonation of high performance polymers and POSS. Novel components for polymer blend and nanocomposite fuel cell membranes

Energy Technology Data Exchange (ETDEWEB)

Bock, T.R.

2006-10-15

Aim of this thesis was the preparation and evaluation of phosphonated high performance (HP) polyelectrolytes and polyhedral oligomeric silsesquioxanes (POSS) for polyelectrolyte membrane fuel cell (PEMFC) application. Brominated derivatives of the commercial high performance (HP) polymers poly(ethersulfone) (PES), poly(etheretherketone) (PEEK), poly(phenylsulfone) (PPSu), poly(sulfone) (PSU) and of octaphenyl-POSS of own production were phosphonated by Ni-catalysed Arbuzov reaction. Phosphonated PSU was cast into pure and blend films with sulfonated PEEK (s-PEEK) to investigate H+-conductivity, water uptake and film morphology. Blend films' properties were referenced to films containing unmodified blend partners. Solution-compounding of phosphonated octaphenyl-POSS and s-PEEK was used to produce novel nanocomposite films. An in-situ zirconisation method was assessed as convenient strategy for novel ionically crosslinked membranes of enhanced swelling resistance. Dibromo isocyanuric acid (DBI) and N-bromo succinimide (NBS) as brominating agents allowed polymer analogous preparation of the novel brominated PES and PEEK with precise reaction control. A random distribution of functional groups, i.e. polyelectrolytes' microstructural homogeneity was revealed as decisive factor concerning solubility of phosphonated PSU. Brominated phT8 was prepared with Br2 by a high temperature approach in tetrachloroethane (TCE). Brominated polymers were phosphonated by Ni-catalysis in non-coordinating high temperature solvents, such as diphenylether, benzophenone and diphenylsulfone without notable solvent influence. The lack of solvent - catalyst complexes and high reaction temperatures of 180-200 C led to halogen-free phosphonates with unprecedented high functionalities. Polymer analogous application of P(OSiMe3)3 offered a novel direct access to easily cleavable disilyl ester derivatives. These were obtained from PEEK and PSU in near quantitative yields at NiCl2-loads as

Highly efficient polymer solar cells with printed photoactive layer: rational process transfer from spin-coating

KAUST Repository

Zhao, Kui

2016-09-05

Scalable and continuous roll-to-roll manufacturing is at the heart of the promise of low-cost and high throughput manufacturing of solution-processed photovoltaics. Yet, to date the vast majority of champion organic solar cells reported in the literature rely on spin-coating of the photoactive bulk heterojunction (BHJ) layer, with the performance of printed solar cells lagging behind in most instances. Here, we investigate the performance gap between polymer solar cells prepared by spin-coating and blade-coating the BHJ layer for the important class of modern polymers exhibiting no long range crystalline order. We find that thickness parity does not always yield performance parity even when using identical formulations. Significant differences in the drying kinetics between the processes are found to be responsible for BHJ nanomorphology differences. We propose an approach which benchmarks the film drying kinetics and associated BHJ nanomorphology development against those of the champion laboratory devices prepared by spin-coating the BHJ layer by adjusting the process temperature. If the optimization requires the solution concentration to be changed, then it is crucial to maintain the additive-to-solute volume ratio. Emulating the drying kinetics of spin-coating is also shown to help achieve morphological and performance parities. We put this approach to the test and demonstrate printed PTB7:PC71BM polymer solar cells with efficiency of 9% and 6.5% PCEs on glass and flexible PET substrates, respectively. We further demonstrate performance parity for two other popular donor polymer systems exhibiting rigid backbones and absence of a long range crystalline order, achieving a PCE of 9.7%, the highest efficiency reported to date for a blade coated organic solar cell. The rational process transfer illustrated in this study should help the broader and successful adoption of scalable printing methods for these material systems.

Recent Advances in Wide-Bandgap Photovoltaic Polymers.

Science.gov (United States)

Cai, Yunhao; Huo, Lijun; Sun, Yanming

2017-06-01

The past decade has witnessed significant advances in the field of organic solar cells (OSCs). Ongoing improvements in the power conversion efficiency of OSCs have been achieved, which were mainly attributed to the design and synthesis of novel conjugated polymers with different architectures and functional moieties. Among various conjugated polymers, the development of wide-bandgap (WBG) polymers has received less attention than that of low-bandgap and medium-bandgap polymers. Here, we briefly summarize recent advances in WBG polymers and their applications in organic photovoltaic (PV) devices, such as tandem, ternary, and non-fullerene solar cells. Addtionally, we also dissuss the application of high open-circuit voltage tandem solar cells in PV-driven electrochemical water dissociation. We mainly focus on the molecular design strategies, the structure-property correlations, and the photovoltaic performance of these WBG polymers. Finally, we extract empirical regularities and provide invigorating perspectives on the future development of WBG photovoltaic materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Inorganic fullerene-type WS{sub 2} nanoparticles: processing, characterization and its photocatalytic performance on malachite green

Energy Technology Data Exchange (ETDEWEB)

Hazarika, Saurabh Jyoti; Mohanta, Dambarudhar [Tezpur University, Nanoscience and Soft Matter Laboratory, Department of Physics, Tezpur, Assam (India)

2017-05-15

In this work, we have employed a hydrothermal route for the synthesis of fullerene-type tungsten disulfide (WS{sub 2}) nanoparticles. X-ray diffraction analysis signifies a hexagonal crystal structure of WS{sub 2} with the crystallites experiencing preferred orientations along (002) and (103) planes. The agglomerated nanoparticles and inorganic fullerene (IF)-type structures are apparently observable from the high-resolution electron micrographs. Raman spectrum shows prominent E{sup 1}{sub 2g} and A{sub 1g} modes emanating from the IF nano-WS{sub 2} system. The Tauc's plot obtained from the optical absorption data predicts a direct band gap of ∝1.91 eV for the nano-WS{sub 2} system; whereas, photoluminescence analysis reveals a broad emission peak located at ∝638 nm and is ascribed to the associated transition from the indirect to direct nature of the band gap. The photocatalytic decomposition of malachite green (MG) solution (30 mg/l) by WS{sub 2} (100 mg/l) under UV and visible light irradiation has been evaluated. The latter condition exhibited a better photocatalytic response with the MG degradation as high as 71.2%, revealed for 120 min. Photocatalytic and optoelectronic features of IF-type nano-WS{sub 2} would bring new insights not only to resolve issues related to environmental hazards, but also in functional devices of technological relevance. (orig.)

Processing bulk natural wood into a high-performance structural material

Science.gov (United States)

Jianwei Song; Chaoji Chen; Shuze Zhu; Mingwei Zhu; Jiaqi Dai; Upamanyu Ray; Yiju Li; Yudi Kuang; Yongfeng Li; Nelson Quispe; Yonggang Yao; Amy Gong; Ulrich H. Leiste; Hugh A. Bruck; J. Y. Zhu; Azhar Vellore; Heng Li; Marilyn L. Minus; Zheng Jia; Ashlie Martini; Teng Li; Liangbing Hu

2018-01-01

Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites)1–8. Natural wood is a low-cost and abundant material and has been used...

Reduced voltage losses yield 10% efficient fullerene free organic solar cells with >1 V open circuit voltages

KAUST Repository

Baran, D.; Kirchartz, T.; Wheeler, S.; Dimitrov, S.; Abdelsamie, Maged; Gorman, J.; Ashraf, Raja; Holliday, S.; Wadsworth, A.; Gasparini, N.; Kaienburg, P.; Yan, H.; Amassian, Aram; Brabec, C. J.; Durrant, J. R.; McCulloch, Iain

2016-01-01

of high recombination losses, which empirically limit the open-circuit voltage (Voc) to typically less than 1 V. Here we show that this empirical limit can be overcome using non-fullerene acceptors blended with the low band gap polymer PffBT4T-2DT leading

Fullerene Derivatives as Components for ‘Plastic’ Photovoltaic Cells

NARCIS (Netherlands)

Knol, Joop; Hummelen, Jan C.

1998-01-01

Derivatives of [60]fullerene, mixed with conducting polymers to yield donor-acceptor bulk-heterojunction (β-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 our

Manufacturing polymer light emitting diode with high luminance efficiency by solution process

Science.gov (United States)

Kim, Miyoung; Jo, SongJin; Yang, Ho Chang; Yoon, Dang Mo; Kwon, Jae-Taek; Lee, Seung-Hyun; Choi, Ju Hwan; Lee, Bum-Joo; Shin, Jin-Koog

2012-06-01

While investigating polymer light emitting diodes (polymer-LEDs) fabricated by solution process, surface roughness influences electro-optical (E-O) characteristics. We expect that E-O characteristics such as luminance and power efficiency related to surface roughness and layer thickness of emitting layer with poly-9-Vinylcarbazole. In this study, we fabricated polymer organic light emitting diodes by solution process which guarantees easy, eco-friendly and low cost manufacturing for flexible display applications. In order to obtain high luminescence efficiency, E-O characteristics of these devices by varying parameters for printing process have been investigated. Therefore, we optimized process condition for polymer-LEDs by adjusting annealing temperatures of emission, thickness of emission layer showing efficiency (10.8 cd/A) at 10 mA/cm2. We also checked wavelength dependent electroluminescence spectrum in order to find the correlation between the variation of efficiency and the thickness of the layer.

Fine-Tuned Intrinsically Ultramicroporous Polymers Redefine the Permeability/Selectivity Upper Bounds of Membrane-Based Air and Hydrogen Separations

KAUST Repository

Swaidan, Raja

2015-08-20

Intrinsically ultramicroporous (<7 Å) polymers represent a new paradigm in materials development for membrane-based gas separation. In particular, they demonstrate that uniting intrachain “rigidity”, the traditional design metric of highly permeable polymers of intrinsic microporosity (PIMs), with gas-sieving ultramicroporosity yields high-performance gas separation membranes. Highly ultramicroporous PIMs have redefined the state-of-the-art in large-scale air (e.g., O2/N2) and hydrogen recovery (e.g., H2/N2, H2/CH4) applications with unprecedented molecular sieving gas transport properties. Accordingly, presented herein are new 2015 permeability/selectivity “upper bounds” for large-scale commercial membrane-based air and hydrogen applications that accommodate the substantial performance enhancements of recent PIMs over preceding polymers. A subtle balance between intrachain rigidity and interchain spacing has been achieved in the amorphous microstructures of PIMs, fine-tuned using unique bridged-bicyclic building blocks (i.e., triptycene, ethanoanthracene and Tröger’s base) in both ladder and semiladder (e.g., polyimide) structures.

Nanostructures for polymer-based organic photovoltaics

OpenAIRE

Guo, Shuai

2014-01-01

In this thesis, the influence of external parameters during the processing procedures on the active layer morphology of the polymer:fullerene PTB7:PCBM bulk heterojunction system are thoroughly investigated. It is ascertained that the power conversion efficiency can be easily manipulated by varying these external parameters (a slight chemical modification of the used polymer, the usage of host solvent, or an additional solvent treatment). The focus of the present work is to elucidate the rela...

Enhanced thermal stability of a polymer solar cell blend induced by electron beam irradiation in the transmission electron microscope

Energy Technology Data Exchange (ETDEWEB)

Bäcke, Olof, E-mail: obacke@chalmers.se [Department of Applied Physics, Chalmers University of Technology, 41296 Göteborg (Sweden); Lindqvist, Camilla; Diaz de Zerio Mendaza, Amaia [Department of Chemistry and Chemical Engineering, Chalmers University of Technology, 41296 Göteborg (Sweden); Gustafsson, Stefan [Department of Applied Physics, Chalmers University of Technology, 41296 Göteborg (Sweden); Wang, Ergang; Andersson, Mats R.; Müller, Christian [Department of Chemistry and Chemical Engineering, Chalmers University of Technology, 41296 Göteborg (Sweden); Kristiansen, Per Magnus [Institute of Polymer Nanotechnology (INKA), FHNW University of Applied Science and Arts Northwestern Switzerland, 5210 Windisch (Switzerland); Laboratory for Micro- and Nanotechnology, Paul Scherrer Institute, 5232 Villigen (Switzerland); Olsson, Eva, E-mail: eva.olsson@chalmers.se [Department of Applied Physics, Chalmers University of Technology, 41296 Göteborg (Sweden)

2017-05-15

We show by in situ microscopy that the effects of electron beam irradiation during transmission electron microscopy can be used to lock microstructural features and enhance the structural thermal stability of a nanostructured polymer:fullerene blend. Polymer:fullerene bulk-heterojunction thin films show great promise for use as active layers in organic solar cells but their low thermal stability is a hindrance. Lack of thermal stability complicates manufacturing and influences the lifetime of devices. To investigate how electron irradiation affects the thermal stability of polymer:fullerene films, a model bulk-heterojunction film based on a thiophene-quinoxaline copolymer and a fullerene derivative was heat-treated in-situ in a transmission electron microscope. In areas of the film that exposed to the electron beam the nanostructure of the film remained stable, while the nanostructure in areas not exposed to the electron beam underwent large phase separation and nucleation of fullerene crystals. UV–vis spectroscopy shows that the polymer:fullerene films are stable for electron doses up to 2000 kGy. - Highlights: • Thermal stability of a polymer: fullerne blend is increased using electron irradiation. • Using in-situ transmission electron microscopy the nanostructure is studied. • Electron irradiation stops phase separation between the polymer and fullerene. • Electron irradiation quenches the formation and nucleation of fullerene crystals.

Aggregation Strength Tuning in Difluorobenzoxadiazole-Based Polymeric Semiconductors for High-Performance Thick-Film Polymer Solar Cells.

Science.gov (United States)

Chen, Peng; Shi, Shengbin; Wang, Hang; Qiu, Fanglong; Wang, Yuxi; Tang, Yumin; Feng, Jian-Rui; Guo, Han; Cheng, Xing; Guo, Xugang

2018-06-27

High-performance polymer solar cells (PSCs) with thick active layers are essential for large-scale production. Polymer semiconductors exhibiting a temperature-dependent aggregation property offer great advantages toward this purpose. In this study, three difluorobenzoxadiazole (ffBX)-based donor polymers, PffBX-T, PffBX-TT, and PffBX-DTT, were synthesized, which contain thiophene (T), thieno[3,2- b]thiophene (TT), and dithieno[3,2- b:2',3'- d]thiophene (DTT) as the π-spacers, respectively. Temperature-dependent absorption spectra reveal that the aggregation strength increases in the order of PffBX-T, PffBX-TT, and PffBX-DTT as the π-spacer becomes larger. PffBX-TT with the intermediate aggregation strength enables well-controlled disorder-order transition in the casting process of blend film, thus leading to the best film morphology and the highest performance in PSCs. Thick-film PSCs with an average power conversion efficiency (PCE) of 8.91% and the maximum value of 9.10% are achieved using PffBX-TT:PC 71 BM active layer with a thickness of 250 nm. The neat film of PffBX-TT also shows a high hole mobility of 1.09 cm 2 V -1 s -1 in organic thin-film transistors. When PffBX-DTT and PffBX-T are incorporated into PSCs utilizing PC 71 BM acceptor, the average PCE decreases to 6.54 and 1.33%, respectively. The performance drop mainly comes from reduced short-circuit current, as a result of nonoptimal blend film morphology caused by a less well-controlled film formation process. A similar trend was also observed in nonfullerene type thick-film PSCs using IT-4F as the electron acceptor. These results show the significance of polymer aggregation strength tuning toward optimal bulk heterojunction film morphology using ffBX-based polymer model system. The study demonstrates that adjusting π-spacer is an effective method, in combination with other important approaches such as alkyl chain optimization, to generate high-performance thick-film PSCs which are critical for

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

The Curious Case of Fluorination of Conjugated Polymers for Solar Cells.

Science.gov (United States)

Zhang, Qianqian; Kelly, Mary Allison; Bauer, Nicole; You, Wei

2017-09-19

Organic solar cells (OSCs) have been a rising star in the field of renewable energy since the introduction of the bulk heterojunction (BHJ) in 1992. Recent advances have pushed the efficiencies of OSCs to over 13%, an impressive accomplishment via collaborative efforts in rational materials design and synthesis, careful device engineering, and fundamental understanding of device physics. Throughout these endeavors, several design principles for the conjugated donor polymers used in such solar cells have emerged, including optimizing the conjugated backbone with judicious selection of building blocks, side-chain engineering, and substituents. Among all of the substituents, fluorine is probably the most popular one; improved device characteristics with fluorination have frequently been reported for a wide range of conjugated polymers, in particular, donor-acceptor (D-A)-type polymers. Herein we examine the effect of fluorination on the device performance of solar cells as a function of the position of fluorination (on the acceptor unit or on the donor unit), aiming to outline a clear understanding of the benefits of this curious substituent. As fluorination of the acceptor unit is the most adopted strategy for D-A polymers, we first discuss the effect of fluorination of the acceptor units, highlighting the five most widely utilized acceptor units. While improved device efficiency has been widely observed with fluorinated acceptor units, the underlying reasons vary from case to case and highly depend on the chemical structure of the polymer. Second, the effect of fluorination of the donor unit is addressed. Here we focus on four donor units that have been most studied with fluorination. While device-performance-enhancing effects by fluorination of the donor units have also been observed, it is less clear that fluorine will always benefit the efficiency of the OSC, as there are several cases where the efficiency drops, in particular with "over-fluorination", i.e., when

Air-stable memory array of bistable rectifying diodes based on ferroelectric-semiconductor polymer blends

Science.gov (United States)

Kumar, Manasvi; Sharifi Dehsari, Hamed; Anwar, Saleem; Asadi, Kamal

2018-03-01

Organic bistable diodes based on phase-separated blends of ferroelectric and semiconducting polymers have emerged as promising candidates for non-volatile information storage for low-cost solution processable electronics. One of the bottlenecks impeding upscaling is stability and reliable operation of the array in air. Here, we present a memory array fabricated with an air-stable amine-based semiconducting polymer. Memory diode fabrication and full electrical characterizations were carried out in atmospheric conditions (23 °C and 45% relative humidity). The memory diodes showed on/off ratios greater than 100 and further exhibited robust and stable performance upon continuous write-read-erase-read cycles. Moreover, we demonstrate a 4-bit memory array that is free from cross-talk with a shelf-life of several months. Demonstration of the stability and reliable air operation further strengthens the feasibility of the resistance switching in ferroelectric memory diodes for low-cost applications.

In situ x-ray diffraction studies of three-dimensional C60 polymers

International Nuclear Information System (INIS)

Wood, R A; Lewis, M H; Bennington, S M; Cain, M G; Kitamura, N; Fukumi, A K

2002-01-01

In situ investigations into the P/T field of C 60 fullerene were performed using energy-dispersive x-ray diffraction techniques. Isobars were obtained at 11 and 9 GPa accompanied by isotherms at 750 and 800 K with pressure reaching 13 GPa. The P/T history and pressure isotropy were investigated with the aim of optimizing conditions for 3D polymer formation. Confirmation of the formation of 3D polymers was performed in situ; however, the reclaimed sample did not exhibit the expected high hardness value, due to depolymerization on pressure release. Isotropy in the pressure field promoted formation and retention of the face-centred-cubic structure

In-process, non-destructive, dynamic testing of high-speed polymer composite rotors

Science.gov (United States)

Kuschmierz, Robert; Filippatos, Angelos; Günther, Philipp; Langkamp, Albert; Hufenbach, Werner; Czarske, Jürgen; Fischer, Andreas

2015-03-01

Polymer composite rotors are lightweight and offer great perspectives in high-speed applications such as turbo machinery. Currently, novel rotor structures and materials are investigated for the purpose of increasing machine efficiency and lifetime, as well as allowing for higher dynamic loads. However, due to the complexity of the composite materials an in-process measurement system is required. This allows for monitoring the evolution of damages under dynamic loads, for testing and predicting the structural integrity of composite rotors in process. In rotor design, it can be used for calibrating and improving models, simulating the dynamic behaviour of polymer composite rotors. The measurement system is to work non-invasive, offer micron uncertainty, as well as a high measurement rate of several tens of kHz. Furthermore, it must be applicable at high surface speeds and under technical vacuum. In order to fulfil these demands a novel laser distance measurement system was developed. It provides the angle resolved measurement of the biaxial deformation of a fibre-reinforced polymer composite rotor with micron uncertainty at surface speeds of more than 300 m/s. Furthermore, a simulation procedure combining a finite element model and a damage mechanics model is applied. A comparison of the measured data and the numerically calculated data is performed to validate the simulation towards rotor expansion. This validating procedure can be used for a model calibration in the future. The simulation procedure could be used to investigate different damage-test cases of the rotor, in order to define its structural behaviour without further experiments.

Hybrid tandem solar cells with depleted-heterojunction quantum dot and polymer bulk heterojunction subcells

KAUST Repository

Kim, Taesoo

2015-10-01

We investigate hybrid tandem solar cells that rely on the combination of solution-processed depleted-heterojunction colloidal quantum dot (CQD) and bulk heterojunction polymer:fullerene subcells. The hybrid tandem solar cell is monolithically integrated and electrically connected in series with a suitable p-n recombination layer that includes metal oxides and a conjugated polyelectrolyte. We discuss the monolithic integration of the subcells, taking into account solvent interactions with underlayers and associated constraints on the tandem architecture, and show that an adequate device configuration consists of a low bandgap CQD bottom cell and a high bandgap polymer:fullerene top cell. Once we optimize the recombination layer and individual subcells, the hybrid tandem device reaches a VOC of 1.3V, approaching the sum of the individual subcell voltages. An impressive fill factor of 70% is achieved, further confirming that the subcells are efficiently connected via an appropriate recombination layer. © 2015.

Radiation processing of polymer insulators as a method of improving their properties and performance

International Nuclear Information System (INIS)

Ivanov, V.S.; Migunova, L.I.; Kalinina, N.A.; Aleksandrov, G.N.

1995-01-01

Polymer insulators for electric apparatus and high-voltage overhead lines are promising for replacing porcelain and glass insulators. The possibility of application of radiation-chemical technology was showed by manufacture of rod-shaped polymer insulators. In this work, an ethylene and vinyl acetate copolymer was used as the polymer basis of the composition for insulators. By forming a three-dimensional network in polymer bulk radiation processing improves service properties of polymer insulators: shape and heat stability > 200 degree C and stability to tracking erosion > 200 h

Fullerene genesis by ion beams

International Nuclear Information System (INIS)

Gamaly, E.G.; Chadderton, L.T.; Commonwealth Scientific and Industrial Research Organization, Lindfield, NSW

1995-01-01

Clearly detectable quantities of molecular fullerene (C 60 ), the most recently discovered allotrope of carbon, have been observed in graphite following irradiation with heavy projectile ions at energies of about 1 GeV using high pressure chromatography. Similar experiments using lower ion energies gave no corresponding signal, indicating an absence of fullerene. This clear difference suggests that there exists an energy threshold for fullerene genesis. Beginning with a microscopic description of deposition and transfer of energy from the ion to the target, a theoretical model is developed for interpretation of these and similar experiments. An important consequence is a description of the formation of large carbon clusters in the hot dense 'primeval soup' of single carbon atoms by means of random 'sticky' collisions. The ion energy threshold is seen as arising, physically, from a balance in the competition between the rate of primary energy deposition and the rate of system cooling. Rate equations for the basic clustering process allow calculations of the time-dependent number densities for the different carbon clusters produced. An important consequence of the theory is that it is established that the region for the specific phase transition from graphite to fullerene lies in the same pressure regime on the phase diagram as does the corresponding transition for graphite to diamond. (author)

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.

Recyclable Cu(II)-Coordination Crosslinked Poly(benzimidazolyl pyridine)s as High-Performance Polymers.

Science.gov (United States)

Wang, Cheng; Yang, Li; Chang, Guanjun

2018-03-01

Crosslinked high-performance polymers have many industrial applications, but are difficult to recycle or rework. A novel class of recyclable crosslinking Cu(II)-metallo-supramolecular coordination polymers are successfully prepared, which possess outstanding thermal stability and mechanical property. More importantly, the Cu 2+ coordination interactions can be further removed via external pyrophosphate to recover the linear polymers, which endow the crosslinking polymers with recyclability. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Processing and characterization of ceramic superconductor/polymer composites

International Nuclear Information System (INIS)

Kander, R.G.; Namboodri, S.L.

1993-01-01

One way to more easily process a brittle high-temperature ceramic superconductor into a useful structure is to combine it with a polymer to form a composite material. Processing of polymer-based composites into complex shapes is well established and relatively easy when compared with traditional ceramic processing unit operations. In addition, incorporating a ceramic superconductor into a polymer matrix can improve mechanical performance as compared with a monolithic ceramic. Finally, because ceramic superconductors are susceptible to attack by moisture, a polymer-based composite structure can also provide protection from deleterious environmental effects. This paper focuses on the processing and subsequent characterization of ceramic superconductor/polymer composites designed primarily for electromagnetic shielding and diamagnetic applications. YBa 2 Cu 3 O 7-x [YBCO] ceramic superconductor is combined with poly(methyl methacrylate) [PMMA] to form novel composite structures. Composite structures have been molded with both a discontinuous superconducting phase (i.e., ceramic particulate reinforced polymers) and with a continuous superconducting phase (i.e., polymer infiltrated porous ceramics). Characterization of these composite structures includes the determination of diamagnetic strength, electromagnetic shielding effectiveness, mechanical performance, and environmental resistance. The goal of this program is to produce a composite structure with increased mechanical integrity and environmental resistance at liquid nitrogen temperatures without compromising the electromagnetic shielding and diamagnetic properties of the superconducting phase. Composites structures of this type are potentially useful in numerous magnetic applications including electromagnetic shielding, magnetic sensors, energy storage, magnetic levitation, and motor windings

Quickly updatable hologram images with high performance photorefractive polymer composites

Science.gov (United States)

Tsutsumi, Naoto; Kinashi, Kenji; Nonomura, Asato; Sakai, Wataru

2012-02-01

We present here quickly updatable hologram images using high performance photorefractive (PR) polymer composite based on poly(N-vinyl carbazole) (PVCz). PVCz is one of the pioneer materials for photoconductive polymer. PVCz/7- DCST/CzEPA/TNF (44/35/20/1 by wt) gives high diffraction efficiency of 68 % at E = 45 V/μm with fast response speed. Response speed of optical diffraction is the key parameter for real-time 3D holographic display. Key parameter for obtaining quickly updatable hologram images is to control the glass transition temperature lower enough to enhance chromophore orientation. Object image of the reflected coin surface recorded with reference beam at 532 nm (green beam) in the PR polymer composite is simultaneously reconstructed using a red probe beam at 642 nm. Instead of using coin object, object image produced by a computer was displayed on a spatial light modulator (SLM) is used as an object for hologram. Reflected object beam from a SLM interfered with reference beam on PR polymer composite to record a hologram and simultaneously reconstructed by a red probe beam. Movie produced in a computer was recorded as a realtime hologram in the PR polymer composite and simultaneously clearly reconstructed with a video rate.

Mechanical properties and tribological behavior of fullerene-like hydrogenated carbon films prepared by changing the flow rates of argon gas

Energy Technology Data Exchange (ETDEWEB)

Guo, Junmeng [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences , Lanzhou 730000 (China); School of Petrochemical Engineering, Lanzhou University of Technology , Lanzhou 730000 (China); Wang, Yongfu; Liang, Hongyu; Liang, Aimin [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences , Lanzhou 730000 (China); Zhang, Junyan, E-mail: zhangjunyan@licp.cas.cn [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences , Lanzhou 730000 (China)

2016-02-28

Graphical abstract: - Highlights: • We prepared hydrogenated carbon films with different content of the fullerene-like nanostructure. • There is a linear relationship between the fullerene-like content and the mechanical properties, tribological behavior of as-deposited FL-C:H films. • New fullerene-like nanostructure may serve as a self-lubrication without addition of any other lubricant during the friction process. • New fullerene-like nanostructure may originate from the rapid annealing and stress relaxation during friction process. - Abstract: Fullerene-like hydrogenated carbon (FL-C:H) films as carbon materials were prepared by direct current plasma enhanced chemical vapor deposition (dc-PECVD) technique. The content of FL nanostructure was confirmed by high-resolution transmission electron microscopy (HRTEM), visible Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). The effect of fullerene-like nanostructure on the friction behavior of the films was studied using a reciprocating ball-on-flat tribometer in humid environment. It is concluded that the curved FL nanostructure provide the film excellent mechanical properties and friction performance. Interestingly, combining with the results of Raman analyses of the wear debris, we find that new FL nanostructure form during the friction process. These new FL nanostructure may originate from the rapid annealing and stress relaxation of unstable carbon clusters.

Structural Factors That Affect the Performance of Organic Bulk Heterojunction Solar Cells

KAUST Repository

Vandewal, Koen

2013-08-27

The performance of polymer:fullerene solar cells is strongly affected by the active layer morphology and polymer microstructure. In this Perspective, we review ongoing research on how structural factors influence the photogeneration and collection of charge carriers as well as charge carrier recombination and the related open-circuit voltage. We aim to highlight unexplored research opportunities and provide some guidelines for the synthesis of new conjugated polymers for high-efficiency solar cells. © 2013 American Chemical Society.

Controlling Film Morphology in Conjugated Polymer

Science.gov (United States)

Park, Lee Y.; Munro, Andrea M.; Ginger, David S.

2009-01-01

We study the effects of patterned surface chemistry on the microscale and nanoscale morphology of solution-processed donor/acceptor polymer-blend films. Focusing on combinations of interest in polymer solar cells, we demonstrate that patterned surface chemistry can be used to tailor the film morphology of blends of semiconducting polymers such as poly-[2-(3,7-dimethyloctyloxy)-5-methoxy-p-phenylenevinylene] (MDMO-PPV), poly-3-hexylthiophene (P3HT), poly[(9,9-dioctylflorenyl-2,7-diyl)-co-benzothiadiazole)] (F8BT), and poly(9,9-dioctylfluorene-co-bis-N,N’-(4-butylphenyl)-bis-N,N’-phenyl-1,4-phenylendiamine) (PFB) with the fullerene derivative, [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). We present a method for generating patterned, fullerene-terminated monolayers on gold surfaces, and use microcontact printing and Dip-Pen Nanolithography (DPN) to pattern alkanethiols with both micro- and nanoscale features. After patterning with fullerenes and other functional groups, we backfill the rest of the surface with a variety of thiols to prepare substrates with periodic variations in surface chemistry. Spin coating polymer:PCBM films onto these substrates, followed by thermal annealing under nitrogen, leads to the formation of structured polymer films. We characterize these films with Atomic Force Microscopy (AFM), Raman spectroscopy, and fluorescence microscopy. The surface patterns are effective in guiding phase separation in all of the polymer:PCBM systems investigated, and lead to a rich variety of film morphologies that are inaccessible with unpatterned substrates. We demonstrate our ability to guide pattern formation in films thick enough of be of interest for actual device applications (up to 200 nm in thickness) using feature sizes as small as 100 nm. Finally, we show that the surface chemistry can lead to variations in film morphology on length scales significantly smaller than those used in generating the original surface patterns. The variety of

The importance of fullerene percolation in the mixed regions of polymer-fullerene bulk heterojunction solar cells

KAUST Repository

Bartelt, Jonathan A.

2012-10-26

Most optimized donor-acceptor (D-A) polymer bulk heterojunction (BHJ) solar cells have active layers too thin to absorb greater than - 80% of incident photons with energies above the polymer\\'s band gap. If the thickness of these devices could be increased without sacrifi cing internal quantum effi ciency, the device power conversion effi ciency (PCE) could be signifi cantly enhanced. We examine the device characteristics of BHJ solar cells based on poly(di(2- ethylhexyloxy)benzo[1,2- b :4,5- b \\' ]dithiophene- co -octylthieno[3,4- c ]pyrrole-4,6- dione) (PBDTTPD) and [6,6]-phenyl-C 61 -butyric acid methyl ester (PCBM) with 7.3% PCE and fi nd that bimolecular recombination limits the active layer thickness of these devices. Thermal annealing does not mitigate these bimolecular recombination losses and drastically decreases the PCE of PBDTTPD BHJ solar cells. We characterize the morphology of these BHJs before and after thermal annealing and determine that thermal annealing drastically reduces the concentration of PCBM in the mixed regions, which consist of PCBM dispersed in the amorphous portions of PBDTTPD. Decreasing the concentration of PCBM may reduce the number of percolating electron transport pathways within these mixed regions and create morphological electron traps that enhance charge-carrier recombination and limit device quantum effi ciency. These fi ndings suggest that (i) the concentration of PCBM in the mixed regions of polymer BHJs must be above the PCBM percolation threshold in order to attain high solar cell internal quantum effi ciency, and (ii) novel processing techniques, which improve polymer hole mobility while maintaining PCBM percolation within the mixed regions, should be developed in order to limit bimolecular recombination losses in optically thick devices and maximize the PCE of polymer BHJ solar cells. © 2013 WILEY-VCH Verlag GmbH and Co. © 2013 WILEY-VCH Verlag GmbH & Co.

Physical and electrical properties of trimetallic nitride template endohedral metallofullerenes and their polymer nanocomposites

Science.gov (United States)

Ahmed, Hanaa Mohammed

The main objective of this study was characterization of pure metallic nitride fullerene, MNF, and MNF containing polymers to evaluate these materials as suitable devices for tunable applications. Polymer-fullerene nanocomposites consisting of linear polyurethane (PU) segments crosslinked via polyhydroxylated fullerenes (C60 and Sc3N C 80, a metallic nitride fullerene) were prepared and characterized for their mechanical and dielectric properties using dynamic mechanical analysis (DMA) and broadband dielectric spectroscopic techniques. Polyhydroxylated fullerenes C60(OH)29 and Sc3N C80(OH) 18 were synthesized in a high yield through a solid-state high sheer ball-milling procedure and were characterized using a verity of techniques, such as FT-R, mass spectroscopy (MS) and thermal gravimetric analysis (TGA), to elucidate their structures. A difunctional isocyanate-terminated prepolymer was prepared from the reaction of poly(tetramethylene oxide) glycol (PTMO, ˜2000 g/mol) and methylene bis(4-isocyanatobenzene) (MDI) followed by the addition of the crosslinking fullerene agent. Fullerene-polymer networks [C60 -PU and Sc3N C80-PU] having high gel fractions and good mechanical properties and thermal stabilities were produced. Dynamic mechanical analyses of (C60 or Sc3N C80)-PU networks indicated a glass transition temperature, Tg, of -50°C with a sub-Tg relaxation due to local chain motions. Broadband dielectric spectroscopic analyses of the nanoparticles prior to incorporation into the networks revealed one relaxation and large epsilon' values in hydroxylated C60 relative to unfunctionalized C60. The analogous hydroxylated Sc3N C80 exhibited two relaxations, and the extra relaxation may be due to reorientations of cage-encapsulated Sc 3N clusters. Permittivity values (epsilon') for Sc3N C 80-PU were found to be higher than the corresponding values for C 60-PU, likely because of the rotationally mobile dipoles. For temperature voltage characteristics of the fullerene

Tribological performance of the epoxy-based composite reinforced by WS2 fullerene-like nanoparticles and nanotubes

International Nuclear Information System (INIS)

Shneider, Mark; Dodiuk, Hanna; Kenig, Shmuel; Rapoport, Lev; Moshkovich, Alexey; Zak, Alla; Tenne, Reshef

2013-01-01

Recently large amounts of inorganic nanotubes (INT) and inorganic fullerene-like (IF) nanoparticles of WS 2 became available and methods for their dispersion in different media were developed. In the present work the tribological properties of epoxy composite compounded with tungsten disulfide particles of different sizes and morphologies, including quasi-spherical IF nanoparticles, one-dimensional INT as well as micron-size platelets (2H) were investigated. The coefficient of friction and wear loss were measured under dry contact conditions using different tribological rigs. Remarkable reduction in wear and also friction (under high load) was demonstrated for the IF/INT epoxy nanocomposite. The reduced wear is attributed in general to the reinforcement of the polymer matrix by nanoparticles and the simultaneous reduction of the epoxy brittleness. Contrarily, the friction of the neat epoxy sample and epoxy mixed with platelets was accompanied with strong wear and transfer of a polymer film onto the rubbed surfaces. These results are consistent with the recently reported improvements in the fracture toughness, peel and shear strength of the epoxy-nanoparticles (IF/INT) composites. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Trap Healing for High-Performance Low-Voltage Polymer Transistors and Solution-Based Analog Amplifiers on Foil.

Science.gov (United States)

Pecunia, Vincenzo; Nikolka, Mark; Sou, Antony; Nasrallah, Iyad; Amin, Atefeh Y; McCulloch, Iain; Sirringhaus, Henning

2017-06-01

Solution-processed semiconductors such as conjugated polymers have great potential in large-area electronics. While extremely appealing due to their low-temperature and high-throughput deposition methods, their integration in high-performance circuits has been difficult. An important remaining challenge is the achievement of low-voltage circuit operation. The present study focuses on state-of-the-art polymer thin-film transistors based on poly(indacenodithiophene-benzothiadiazole) and shows that the general paradigm for low-voltage operation via an enhanced gate-to-channel capacitive coupling is unable to deliver high-performance device behavior. The order-of-magnitude longitudinal-field reduction demanded by low-voltage operation plays a fundamental role, enabling bulk trapping and leading to compromised contact properties. A trap-reduction technique based on small molecule additives, however, is capable of overcoming this effect, allowing low-voltage high-mobility operation. This approach is readily applicable to low-voltage circuit integration, as this work exemplifies by demonstrating high-performance analog differential amplifiers operating at a battery-compatible power supply voltage of 5 V with power dissipation of 11 µW, and attaining a voltage gain above 60 dB at a power supply voltage below 8 V. These findings constitute an important milestone in realizing low-voltage polymer transistors for solution-based analog electronics that meets performance and power-dissipation requirements for a range of battery-powered smart-sensing applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

All-solution processed polymer light-emitting diodes with air stable metal-oxide electrodes

NARCIS (Netherlands)

Bruyn, P. de; Moet, D.J.D.; Blom, P.W.M.

2012-01-01

We present an all-solution processed polymer light-emitting diode (PLED) using spincoated zinc oxide (ZnO) and vanadium pentoxide (V2O5) as electron and hole injecting contact, respectively. We compare the performance of these devices to the standard PLED design using PEDOT:PSS as anode and Ba/Al as

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

KAUST Repository

Provencher, Franç oise; Bé rubé , Nicolas; Parker, Anthony W.; Greetham, Gregory M.; Towrie, Michael; Hellmann, Christoph; Cô té , Michel; Stingelin, Natalie; Silva, Carlos; Hayes, Sophia C.

2014-01-01

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

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

KAUST Repository

Provencher, Françoise

2014-07-01

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

Ultra-broadband THz time-domain spectroscopy of common polymers using THz air photonics

DEFF Research Database (Denmark)

D’Angelo, Francesco; Mics, Zoltán; Bonn, Mischa

2014-01-01

-domain spectrometer employing air-photonics for the generation and detection of single-cycle sub-50 fs THz transients. The time domain measurements provide direct access to both the absorption and refractive index spectra. The polymers LDPE and TOPAS® demonstrate negligible absorption and spectrally-flat refractive...... index across the entire spectroscopy window, revealing the high potential of these polymers for applications in THz photonics such as ultra-broadband polymer-based dielectric mirrors, waveguides, and fibers. Resonant high-frequency polar vibrational modes are observed and assigned in polymers PA6...... and PTFE, and their dielectric functions in the complete frequency window 2-15 THz are theoretically reproduced. Our results demonstrate the potential of ultrabroadband air-photonics-based THz time domain spectroscopy as a valuable analytic tool for materials science....

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

Directory of Open Access Journals (Sweden)

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.

Influence of Weak Base Addition to Hole-Collecting Buffer Layers in Polymer:Fullerene Solar Cells

Directory of Open Access Journals (Sweden)

Jooyeok Seo

2017-02-01

Full Text Available We report the effect of weak base addition to acidic polymer hole-collecting layers in normal-type polymer:fullerene solar cells. Varying amounts of the weak base aniline (AN were added to solutions of poly(3,4-ethylenedioxythiophene:poly(styrenesulfonate (PEDOT:PSS. The acidity of the aniline-added PEDOT:PSS solutions gradually decreased from pH = 1.74 (AN = 0 mol% to pH = 4.24 (AN = 1.8 mol %. The electrical conductivity of the PEDOT:PSS-AN films did not change much with the pH value, while the ratio of conductivity between out-of-plane and in-plane directions was dependent on the pH of solutions. The highest power conversion efficiency (PCE was obtained at pH = 2.52, even though all devices with the PEDOT:PSS-AN layers exhibited better PCE than those with the pristine PEDOT:PSS layers. Atomic force microscopy investigation revealed that the size of PEDOT:PSS domains became smaller as the pH increased. The stability test for 100 h illumination under one sun condition disclosed that the PCE decay was relatively slower for the devices with the PEDOT:PSS-AN layers than for those with pristine PEDOT:PSS layers.

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

KAUST Repository

Yi, Yuanping; Coropceanu, Veaceslav; Bré das, Jean-Luc

2011-01-01

) is faster than that in the fullerene-based devices and (ii) in most cases, can compete with the dissociation of the charge-transfer state into mobile charge carriers. This faster charge-recombination process is consistent with the lower performance observed

Enhanced thermal stability of a polymer solar cell blend induced by electron beam irradiation in the transmission electron microscope.

Science.gov (United States)

Bäcke, Olof; Lindqvist, Camilla; de Zerio Mendaza, Amaia Diaz; Gustafsson, Stefan; Wang, Ergang; Andersson, Mats R; Müller, Christian; Kristiansen, Per Magnus; Olsson, Eva

2017-05-01

We show by in situ microscopy that the effects of electron beam irradiation during transmission electron microscopy can be used to lock microstructural features and enhance the structural thermal stability of a nanostructured polymer:fullerene blend. Polymer:fullerene bulk-heterojunction thin films show great promise for use as active layers in organic solar cells but their low thermal stability is a hindrance. Lack of thermal stability complicates manufacturing and influences the lifetime of devices. To investigate how electron irradiation affects the thermal stability of polymer:fullerene films, a model bulk-heterojunction film based on a thiophene-quinoxaline copolymer and a fullerene derivative was heat-treated in-situ in a transmission electron microscope. In areas of the film that exposed to the electron beam the nanostructure of the film remained stable, while the nanostructure in areas not exposed to the electron beam underwent large phase separation and nucleation of fullerene crystals. UV-vis spectroscopy shows that the polymer:fullerene films are stable for electron doses up to 2000kGy. Copyright © 2016 Elsevier B.V. All rights reserved.

Vinyl Flanked Difluorobenzothiadiazole-Dithiophene Conjugated Polymer for High Performance Organic Field-Effect Transistors.

Energy Technology Data Exchange (ETDEWEB)

Liang, Xianfeng; Sun, Wandong; Chen, Yanlin; Tan, Luxi; Cai, Zheng-Xu; Liu, Zitong; Wang, Lin; Li, Jing; Chen, Wei; Dong, Lichun

2018-02-21

Fluorine containing conjugated polymers have been widely applied in high performance organic solar cells, but their use in field-effect transistors is still quite limited. In this work, a conjugated polymer PTFBTV based on difluorobenzothiadiazole (DFBT) and dithiophene was synthesized, utilizing multiple vinylene as linkers. The polymer exhibits a relatively high hole mobility up to 2.0 cm(2) V-1 s(-1) compared with the reported DFBT-oligothiophene based polymers, yet its structural complexity is much simpler. The polymer thin film exhibits a typical 'face on' molecular orientation. A single crystal of its monomer revealed a non-covalent intramolecular contact between fluorine and the neighbouring proton, which strengthens the backbone co-planarity. Meanwhile an intermolecular F...F contact was also observed, which might cause rather scattered lamellar crystallinity for PTFBTV in the solid state.

Structural Factors That Affect the Performance of Organic Bulk Heterojunction Solar Cells

KAUST Repository

Vandewal, Koen; Himmelberger, Scott; Salleo, Alberto

2013-01-01

The performance of polymer:fullerene solar cells is strongly affected by the active layer morphology and polymer microstructure. In this Perspective, we review ongoing research on how structural factors influence the photogeneration and collection

A new strategy to engineer polymer bulk heterojunction solar cells with thick active layers via self-assembly of the tertiary columnar phase.

Science.gov (United States)

Li, Hongfei; Yang, Zhenhua; Pan, Cheng; Jiang, Naisheng; Satija, Sushil K; Xu, Di; Gersappe, Dilip; Nam, Chang-Yong; Rafailovich, Miriam H

2017-08-17

We report that the addition of a non-photoactive tertiary polymer phase in the binary bulk heterojunction (BHJ) polymer solar cell leads to a self-assembled columnar nanostructure, enhancing the charge mobilities and photovoltaic efficiency with surprisingly increased optimal active blend thicknesses over 300 nm, 3-4 times larger than that of the binary counterpart. Using the prototypical poly(3-hexylthiophene) (P3HT):fullerene blend as a model BHJ system, we discover that the inert poly(methyl methacrylate) (PMMA) added in the binary BHJ blend self-assembles into vertical columns, which not only template the phase segregation of electron acceptor fullerenes but also induce the out-of-plane rotation of the edge-on-orientated crystalline P3HT phase. Using complementary interrogation methods including neutron reflectivity, X-ray scattering, atomic force microscopy, transmission electron microscopy, and molecular dynamics simulations, we show that the enhanced charge transport originates from the more randomized molecular stacking of the P3HT phase and the spontaneous segregation of fullerenes at the P3HT/PMMA interface, driven by the high surface tension between the two polymeric components. The results demonstrate a potential method for increasing the thicknesses of high-performance polymer BHJ solar cells with improved photovoltaic efficiency, alleviating the burden of stringently controlling the ultrathin blend thickness during the roll-to-roll-type large-area manufacturing environment.

The importance of fullerene percolation in the mixed regions of polymer-fullerene bulk heterojunction solar cells

KAUST Repository

Bartelt, Jonathan A.; Beiley, Zach M.; Hoke, Eric T.; Mateker, William R.; Douglas, Jessica D.; Collins, Brian A.; Tumbleston, John R.; Graham, Kenneth; Amassian, Aram; Ade, Harald W.; Frechet, Jean; Toney, Michael F.; McGehee, Michael D.

2012-01-01

Most optimized donor-acceptor (D-A) polymer bulk heterojunction (BHJ) solar cells have active layers too thin to absorb greater than - 80% of incident photons with energies above the polymer's band gap. If the thickness of these devices could be increased without sacrifi cing internal quantum effi ciency, the device power conversion effi ciency (PCE) could be signifi cantly enhanced. We examine the device characteristics of BHJ solar cells based on poly(di(2- ethylhexyloxy)benzo[1,2- b :4,5- b ' ]dithiophene- co -octylthieno[3,4- c ]pyrrole-4,6- dione) (PBDTTPD) and [6,6]-phenyl-C 61 -butyric acid methyl ester (PCBM) with 7.3% PCE and fi nd that bimolecular recombination limits the active layer thickness of these devices. Thermal annealing does not mitigate these bimolecular recombination losses and drastically decreases the PCE of PBDTTPD BHJ solar cells. We characterize the morphology of these BHJs before and after thermal annealing and determine that thermal annealing drastically reduces the concentration of PCBM in the mixed regions, which consist of PCBM dispersed in the amorphous portions of PBDTTPD. Decreasing the concentration of PCBM may reduce the number of percolating electron transport pathways within these mixed regions and create morphological electron traps that enhance charge-carrier recombination and limit device quantum effi ciency. These fi ndings suggest that (i) the concentration of PCBM in the mixed regions of polymer BHJs must be above the PCBM percolation threshold in order to attain high solar cell internal quantum effi ciency, and (ii) novel processing techniques, which improve polymer hole mobility while maintaining PCBM percolation within the mixed regions, should be developed in order to limit bimolecular recombination losses in optically thick devices and maximize the PCE of polymer BHJ solar cells. © 2013 WILEY-VCH Verlag GmbH and Co. © 2013 WILEY-VCH Verlag GmbH & Co.

Tribological performance of the epoxy-based composite reinforced by WS{sub 2} fullerene-like nanoparticles and nanotubes

Energy Technology Data Exchange (ETDEWEB)

Shneider, Mark; Dodiuk, Hanna; Kenig, Shmuel [Shenkar College of Engineering and Design, Ramat Gan 52526 (Israel); Rapoport, Lev; Moshkovich, Alexey; Zak, Alla [Department of Science, Holon Academic Institute of Technology, P.O. Box 305, Holon 58102 (Israel); Tenne, Reshef [Weizmann Institute of Science, Rehovot 76100 (Israel)

2013-11-15

Recently large amounts of inorganic nanotubes (INT) and inorganic fullerene-like (IF) nanoparticles of WS{sub 2} became available and methods for their dispersion in different media were developed. In the present work the tribological properties of epoxy composite compounded with tungsten disulfide particles of different sizes and morphologies, including quasi-spherical IF nanoparticles, one-dimensional INT as well as micron-size platelets (2H) were investigated. The coefficient of friction and wear loss were measured under dry contact conditions using different tribological rigs. Remarkable reduction in wear and also friction (under high load) was demonstrated for the IF/INT epoxy nanocomposite. The reduced wear is attributed in general to the reinforcement of the polymer matrix by nanoparticles and the simultaneous reduction of the epoxy brittleness. Contrarily, the friction of the neat epoxy sample and epoxy mixed with platelets was accompanied with strong wear and transfer of a polymer film onto the rubbed surfaces. These results are consistent with the recently reported improvements in the fracture toughness, peel and shear strength of the epoxy-nanoparticles (IF/INT) composites. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

New m-alkoxy-p-fluorophenyl difluoroquinoxaline based polymers in efficient fullerene solar cells with high fill factor

Czech Academy of Sciences Publication Activity Database

Xu, S.; Feng, L.; Yuan, J.; Cimrová, Věra; Chen, G.; Zhang, Z.-G.; Li, Y.; Peng, H.; Zou, Y.

2017-01-01

Roč. 50, November (2017), s. 7-15 ISSN 1566-1199 R&D Projects: GA ČR(CZ) GA13-26542S Institutional support: RVO:61389013 Keywords : quinoxaline * D-A copolymer * fullerene solar cells Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.399, year: 2016

Structure–property relationships of oligothiophene–isoindigo polymers for efficient bulk-heterojunction solar cells

KAUST Repository

Ma, Zaifei

2014-01-01

A series of alternating oligothiophene (nT)-isoindigo (I) copolymers (PnTI) were synthesized to investigate the influence of the oligothiophene block length on the photovoltaic (PV) properties of PnTI:PCBM bulk-heterojunction blends. Our study indicates that the number of thiophene rings (n) in the repeating unit alters both polymer crystallinity and polymer-fullerene interfacial energetics, which results in a decreasing open-circuit voltage (Voc) of the solar cells with increasing n. The short-circuit current density (Jsc) of P1TI:PCBM devices is limited by the absence of a significant driving force for electron transfer. Instead, blends based on P5TI and P6TI feature large polymer domains, which limit charge generation and thus Jsc. The best PV performance with a power conversion efficiency of up to 6.9% was achieved with devices based on P3TI, where a combination of a favorable morphology and an optimal interfacial energy level offset ensures efficient exciton separation and charge generation. The structure-property relationship demonstrated in this work would be a valuable guideline for the design of high performance polymers with small energy losses during the charge generation process, allowing for the fabrication of efficient solar cells that combine a minimal loss in Voc with a high Jsc. © 2014 The Royal Society of Chemistry.

Processing of thermoplastic polymers using reactive solvents

NARCIS (Netherlands)

Meijer, H.E.H.; Venderbosch, R.W.; Goossens, J.G.P.; Lemstra, P.J.

1996-01-01

The use of reactive solvents offers an interesting and flexible route to extent the processing characteristics of thermoplastic polymers beyond their existing limits. This holds for both intractable and tractable polymers. The first mainly applies for amorphous high-Tg polymers where processing may

Ultrafast spectroscopic investigation of a fullerene poly(3-hexylthiophene) dyad

Science.gov (United States)

Banerji, Natalie; Seifter, Jason; Wang, Mingfeng; Vauthey, Eric; Wudl, Fred; Heeger, Alan J.

2011-08-01

We present the femtosecond spectroscopic investigation of a covalently linked dyad, PCB-P3HT, formed by a segment of the conjugated polymer P3HT (regioregular poly(3-hexylthiophene)) that is end capped with the fullerene derivative PCB ([6,6]-phenyl-C61-butyric acid ester), adapted from PCBM. The fluorescence of the P3HT segment in tetrahydrofuran (THF) solution is reduced by 64% in the dyad compared to a control compound without attached fullerene (P3HT-OH). Fluorescence upconversion measurements reveal that the partial fluorescence quenching of PCB-P3HT in THF is multiphasic and occurs on an average time scale of 100 ps, in parallel to excited-state relaxation processes. Judging from ultrafast transient absorption experiments, the origin of the quenching is excitation energy transfer from the P3HT donor to the PCB acceptor. Due to the much higher solubility of P3HT compared to PCB in THF, the PCB-P3HT dyad molecules self-assemble into micelles. When pure C60 is added to the solution, it is incorporated into the fullerene-rich center of the micelles. This dramatically increases the solubility of C60 but does not lead to significant additional quenching of the P3HT fluorescence by the C60 contained in the micelles. In PCB-P3HT thin films drop-cast from THF, the micelle structure is conserved. In contrast to solution, quantitative and ultrafast (microscopy images. Ultrafast charge separation occurs also for the fibrous morphology, but the transient absorption experiments show fast loss of part of the charge carriers due to intensity-induced recombination and annihilation processes and monomolecular interfacial trap-mediated or geminate recombination. The yield of the long-lived charge carriers in the highly organized fibers is however comparable to that obtained with annealed P3HT:PCBM blends. PCB-P3HT can therefore be considered as an active material in organic photovoltaic devices.

Polymerization and processing of organic polymers in a magnetic field

Energy Technology Data Exchange (ETDEWEB)

Douglas, E.P. [Los Alamos National Laboratory, NM (United States)

1995-05-01

The use of magnetic fields to affect the structure and properties of polymeric materials remains an area of great promise. Liquid crystalline polymers have been actively studied over the past 20 years for use in high performance structural applications. In particular, highly oriented fibers can exhibit remarkable increases in strength to weight performance compared to conventional materials. For example, the fibers marketed by DuPont under the tradename Kevlar are 20 times stronger than steel on an equivalent weight basis. However, larger bulk parts do not exhibit the same increases in strength due to a lack of orientation of the polymer molecules. Magnetic field processing of polymers remains an attractive solution to this problem.

Understanding triplet formation pathways in bulk heterojunction polymer : fullerene photovoltaic devices

NARCIS (Netherlands)

Tedla, B.; Zhu, F.; Cox, M.; Drijkoningen, J.; Manca, J.V.; Koopmans, B.; Goovaerts, E.

2015-01-01

Triplet exciton (TE) formation pathways are systematically investigated in prototype bulk heterojunction (BHJ) "super yellow" poly(p-phenylene vinylene) (SY-PPV) solar cell devices with varying fullerene compositions using complementary optoelectrical and electrically detected magnetic resonance

Fullerene-based one-dimensional crystalline nanopolymer formed through topochemical transformation of the parent nanowire

DEFF Research Database (Denmark)

Geng, Junfeng; Solov'yov, Ilia; Reid, David G.

2010-01-01

Large-scale practical applications of fullerene (C_60) in nanodevices could be significantly facilitated if the commercially available micrometer-scale raw C_60 powder were further processed into a one-dimensional nanowire-related polymer displaying covalent bonding as molecular interlinks...... chromatography, mass spectrometry and ^13C nuclear magnetic resonance evidence is provided for the nature of the covalent bonding mode adopted by the polymeric chains. Theoretical analysis based on detailed calculations of the reaction energetics and structural analysis provides an in-depth understanding...

Highly processable method for the construction of miniature conducting polymer moisture sensors

Science.gov (United States)

McGovern, Scott T.; Spinks, Geoffrey M.; Wallace, Gordon G.

2005-02-01

A polymer blend incorporating polyaniline (PAn) was used as a sensing medium in the construction of a resistance based humidity sensor. Aniline monomer was polymerised to PAn emeraldine salt (ES) in the presence of poly (butyl acrylate-co-vinyl acetate) and the processable blend was developed by redissolving 1-2 w/w% of the resulting sensing polymer residue in dichloromethane (DCM). Some of this residue was washed in ammonia solution to de-dope the PAn to emeraldine base (EB) to act as a protective layer on the surface of the sensing polymer. This residue was then washed with distilled water until a neutral pH was realised with the waste water, dried and redissolved in DCM at 1-2 w/w% to create a processable blend barrier polymer solution. The final sensor design utilised 125μm polyester insulated platinum wire as conducting electrodes that were dip coated in the PAn ES blend solution and dried in a desiccator. A protective coating was then applied by dip coating in the EB blend solution. The sensors had an overall final thickness of less than 200μm and showed high sensitivity to humidity, low resistance, and good reversibility without hysteresis. The EB protective layer was shown to give more stable and predictable responses to the sensors when placed inside curing epoxies. Polymer based thin film humidity sensors have the advantage that the high processability of the material allows for simple fabrication of a range of geometries including smaller sensor designs. Such sensors may find uses in detecting water content in a number of areas including composite materials, electronic textiles, food/electronics packaging and corrosion detection.

High-energy radiation and polymers: A review of commercial processes and emerging applications

International Nuclear Information System (INIS)

Clough, R.L.

2001-01-01

Ionizing radiation has been found to be widely applicable in modifying the structure and properties of polymers, and can be used to tailor the performance of either bulk materials or surfaces. Fifty years of research in polymer radiation chemistry has led to numerous applications of commercial and economic importance, and work remains active in the application of radiation to practical uses involving polymeric materials. This paper provides a survey of radiation-processing methods of industrial interest, ranging from technologies already commercially well established, through innovations in the active R and D stage which show exceptional promise for future commercial use. Radiation-processing technologies are discussed under the following categories: cross-linking of plastics and rubbers, curing of coatings and inks, heat-shrink products, fiber-matrix composites, chain-scission for processing control, surface modification, grafting, hydrogels, sterilization, natural product enhancement, plastics recycling, ceramic precursors, electronic property materials, ion-track membranes and lithography for microdevice production. In addition to new technological innovations utilizing conventional gamma and e-beam sources, a number of promising new applications make use of novel radiation types which include ion beams (heavy ions, light ions, highly focused microscopic beams and high-intensity pulses), soft X-rays which are focused, coherent X-rays (from a synchrotron) and e-beams which undergo scattering to generate patterns

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.

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.

New trends in radiation processing of polymers

International Nuclear Information System (INIS)

Chmielewski, Andrzej G.

2005-01-01

Nowadays, the modification of polymers covers radiation cross-linking, radiation induced polymerization (graft polymerization and curing) and the degradation of polymers. The success of radiation technology for the processing of synthetic polymers can be attributed to two reasons, namely the easiness of processing in various shapes and sizes and, secondly, most of these polymers undergo cross-linking reaction upon exposure to radiation. years, natural polymers are being looked at again with renewed interest because of their unique characteristics like inherent biocompatibility, biodegradability and easy availability. However the recent progress in the field regards development of new processing methods and technical solutions. No other break trough technologies or products based on synthetic polymers are reported recently. The future progress, both from scientific and practical points of view, concerns nanotechnology and natural polymer processing. Overview of the subject, including the works performed in the Institute of the author is presented in the paper. (author)

Aesthetically Pleasing Conjugated Polymer: Fullerene Blends for Blue-Green Solar Cells Via Roll-to-Roll Processing

DEFF Research Database (Denmark)

Amb, Chad M.; Craig, Michael R.; Koldemir, Unsal

2012-01-01

as a thin-film deposition technique due its convenience. We report on the significant differences between the spin-coating of laboratory solar cells and slot-die coating of a blue-green colored, low bandgap polymer (PGREEN). This is one of the first demonstrations of slot-die-coated polymer solar cells OPVs......The practical application of organic photovoltaic (OPV) cells requires high throughput printing techniques in order to attain cells with an area large enough to provide useful amounts of power. However, in the laboratory screening of new materials for OPVs, spin-coating is used almost exclusively...... not utilizing poly(3-hexylthiophene):(6,6)-phenyl-C61-butyric acid methyl ester (PCBM) blends as a light absorbing layer. Through synthetic optimization, we show that strict protocols are necessary to yield polymers which achieve consistent photovoltaic behavior. We fabricated spin-coated laboratory scale OPV...

π-Bridge-Independent 2-(Benzo[c][1,2,5]thiadiazol-4-ylmethylene)malononitrile-Substituted Nonfullerene Acceptors for Efficient Solar Cells

KAUST Repository

Wang, Kai

2016-02-25

Molecular acceptors are promising alternatives to fullerenes (e.g. PC61/71BM) in the fabrication of high-efficiency bulk-heterojunction (BHJ) solar cells. While solution-processed polymer-fullerene BHJ devices have recently met the 10% efficiency threshold, molecular acceptors have yet to prove comparably efficient with polymer donors. At this point in time, it is important to forge a better understanding of the design parameters that directly impact small-molecule (SM) acceptor performance in BHJ solar cells. In this report, we show that 2-(benzo[c][1,2,5]thiadiazol-4-ylmethylene)malononitrile (BM)-terminated SM acceptors can achieve efficiencies as high as 5.3% in BHJ solar cells with the polymer donor PCE10. Through systematic device optimization and characterization studies, we find that the nonfull-erene analogues (FBM, CBM and CDTBM) all perform comparably well, independent of the molecular structure and electronics of the π-bridge that links the two electron-deficient BM end groups. With estimated electron affinities within range of those of common fullerenes (4.0-4.3 eV), and a wider range of ionization potentials (6.2-5.6 eV), the SM acceptors absorb in the visible spectrum and effectively contribute to the BHJ device photocurrent. BM-substituted SM acceptors are promising alterna-tives to fullerenes in solution-processed BHJ solar cells.

π-Bridge-Independent 2-(Benzo[c][1,2,5]thiadiazol-4-ylmethylene)malononitrile-Substituted Nonfullerene Acceptors for Efficient Solar Cells

KAUST Repository

Wang, Kai; Firdaus, Yuliar; Babics, Maxime; Cruciani, Federico; Saleem, Qasim; El Labban, Abdulrahman; Alamoudi, Maha; Marszalek, Tomasz; Pisula, Wojciech; Laquai, Fré dé ric; Beaujuge, Pierre

2016-01-01

Molecular acceptors are promising alternatives to fullerenes (e.g. PC61/71BM) in the fabrication of high-efficiency bulk-heterojunction (BHJ) solar cells. While solution-processed polymer-fullerene BHJ devices have recently met the 10% efficiency threshold, molecular acceptors have yet to prove comparably efficient with polymer donors. At this point in time, it is important to forge a better understanding of the design parameters that directly impact small-molecule (SM) acceptor performance in BHJ solar cells. In this report, we show that 2-(benzo[c][1,2,5]thiadiazol-4-ylmethylene)malononitrile (BM)-terminated SM acceptors can achieve efficiencies as high as 5.3% in BHJ solar cells with the polymer donor PCE10. Through systematic device optimization and characterization studies, we find that the nonfull-erene analogues (FBM, CBM and CDTBM) all perform comparably well, independent of the molecular structure and electronics of the π-bridge that links the two electron-deficient BM end groups. With estimated electron affinities within range of those of common fullerenes (4.0-4.3 eV), and a wider range of ionization potentials (6.2-5.6 eV), the SM acceptors absorb in the visible spectrum and effectively contribute to the BHJ device photocurrent. BM-substituted SM acceptors are promising alterna-tives to fullerenes in solution-processed BHJ solar cells.

Azaisoindigo conjugated polymers for high performance n-type and ambipolar thin film transistor applications

KAUST Repository

Yue, Wan

2016-09-28

Two new alternating copolymers, PAIIDBT and PAIIDSe have been prepared by incorporating a highly electron deficient azaisoindigo core. The molecular structure and packing of the monomer is determined from the single crystal X-ray diffraction. Both polymers exhibit high EAs and highly planar polymer backbones. When polymers are used as the semiconducting channel for solution-processed thin film transistor application, good properties are observed. A–A type PAIIDBT exhibits unipolar electron mobility as high as 1.0 cm2 V−1 s−1, D–A type PAIIDSe exhibits ambipolar charge transport behavior with predominately electron mobility up to 0.5 cm2 V−1 s−1 and hole mobility to 0.2 cm2 V−1 s−1. The robustness of the extracted mobility values are also commented on in detail. Molecular orientation, thin film morphology and energetic disorder of both polymers are systematically investigated.

Low-Temperature Solution-Processed Gate Dielectrics for High-Performance Organic Thin Film Transistors

Directory of Open Access Journals (Sweden)

Jaekyun Kim

2015-10-01

Full Text Available A low-temperature solution-processed high-k gate dielectric layer for use in a high-performance solution-processed semiconducting polymer organic thin-film transistor (OTFT was demonstrated. Photochemical activation of sol-gel-derived AlOx films under 150 °C permitted the formation of a dense film with low leakage and relatively high dielectric-permittivity characteristics, which are almost comparable to the results yielded by the conventionally used vacuum deposition and high temperature annealing method. Octadecylphosphonic acid (ODPA self-assembled monolayer (SAM treatment of the AlOx was employed in order to realize high-performance (>0.4 cm2/Vs saturation mobility and low-operation-voltage (<5 V diketopyrrolopyrrole (DPP-based OTFTs on an ultra-thin polyimide film (3-μm thick. Thus, low-temperature photochemically-annealed solution-processed AlOx film with SAM layer is an attractive candidate as a dielectric-layer for use in high-performance organic TFTs operated at low voltages.

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.[...

Molecular design of photovoltaic materials for polymer solar cells: toward suitable electronic energy levels and broad absorption.

Science.gov (United States)

Li, Yongfang

2012-05-15

Bulk heterojunction (BHJ) polymer solar cells (PSCs) sandwich a blend layer of conjugated polymer donor and fullerene derivative acceptor between a transparent ITO positive electrode and a low work function metal negative electrode. In comparison with traditional inorganic semiconductor solar cells, PSCs offer a simpler device structure, easier fabrication, lower cost, and lighter weight, and these structures can be fabricated into flexible devices. But currently the power conversion efficiency (PCE) of the PSCs is not sufficient for future commercialization. The polymer donors and fullerene derivative acceptors are the key photovoltaic materials that will need to be optimized for high-performance PSCs. In this Account, I discuss the basic requirements and scientific issues in the molecular design of high efficiency photovoltaic molecules. I also summarize recent progress in electronic energy level engineering and absorption spectral broadening of the donor and acceptor photovoltaic materials by my research group and others. For high-efficiency conjugated polymer donors, key requirements are a narrower energy bandgap (E(g)) and broad absorption, relatively lower-lying HOMO (the highest occupied molecular orbital) level, and higher hole mobility. There are three strategies to meet these requirements: D-A copolymerization for narrower E(g) and lower-lying HOMO, substitution with electron-withdrawing groups for lower-lying HOMO, and two-dimensional conjugation for broad absorption and higher hole mobility. Moreover, better main chain planarity and less side chain steric hindrance could strengthen π-π stacking and increase hole mobility. Furthermore, the molecular weight of the polymers also influences their photovoltaic performance. To produce high efficiency photovoltaic polymers, researchers should attempt to increase molecular weight while maintaining solubility. High-efficiency D-A copolymers have been obtained by using benzodithiophene (BDT), dithienosilole

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

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

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.

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.

Polymer waveguides for electro-optical integration in data centers and high-performance computers.

Science.gov (United States)

Dangel, Roger; Hofrichter, Jens; Horst, Folkert; Jubin, Daniel; La Porta, Antonio; Meier, Norbert; Soganci, Ibrahim Murat; Weiss, Jonas; Offrein, Bert Jan

2015-02-23

To satisfy the intra- and inter-system bandwidth requirements of future data centers and high-performance computers, low-cost low-power high-throughput optical interconnects will become a key enabling technology. To tightly integrate optics with the computing hardware, particularly in the context of CMOS-compatible silicon photonics, optical printed circuit boards using polymer waveguides are considered as a formidable platform. IBM Research has already demonstrated the essential silicon photonics and interconnection building blocks. A remaining challenge is electro-optical packaging, i.e., the connection of the silicon photonics chips with the system. In this paper, we present a new single-mode polymer waveguide technology and a scalable method for building the optical interface between silicon photonics chips and single-mode polymer waveguides.

STUDY OF SURFACE MODIFIED POLYMERS IN THE MODIFICATION OF NANOMATERIALS

Directory of Open Access Journals (Sweden)

G. V. Popov

2014-01-01

Full Text Available The comparative study of change of surface tension of solutions of some commercial rubbers before and after thermal ageing technique du-Nui, analyzed the features of change of surface tension of solutions of various rubbers in the presence of a mixture of fullerenes. Calculations of the Gibbs energy and the analysis of the obtained data to predict the behavior of polymer systems when changes are made to mix of fullerenes in a wide concentration range. When comparing the results of changes in Gibbs energy and the surface tension in fluids rubbers shown that mentioned above in solutions of elastomers aged, than the control. This fact confirms the initial chapeau of physic-chemical interactions of molecules fullerenes by segments of the Kuna and end groups of the polymer chains, as it is known that when thermal-oxidative degradation of rubbers, respectively the number of segments of the Kuna and branched loose ends of macromolecules that are free to react with fullerenes in solution, free from spatial constraints. A comparative analysis of the interaction of rubbers with different chemical composition with double branches has shown that it is easier to just react and has minimum energy polibutadien interaction that has to do with lack of branching and no radicals in its structure and in the backbone chain. The maximum energy of interaction with Fullerenes have SBS rubber because it has large styrene blocks in the main polymer chain that causes the spatial constraints to direct contact with fullerene molecules, you can assume that the interaction is only low-molecular fraction of Fullerenes mixture, possessing the necessary dimensions. As a result of the study shows that the application of the method of separation ring (Du-Nui allows you to predict the properties of rubber with modified nanomaterial’s with minimal labor costs.

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.

Processing bulk natural wood into a high-performance structural material

Science.gov (United States)

Song, Jianwei; Chen, Chaoji; Zhu, Shuze; Zhu, Mingwei; Dai, Jiaqi; Ray, Upamanyu; Li, Yiju; Kuang, Yudi; Li, Yongfeng; Quispe, Nelson; Yao, Yonggang; Gong, Amy; Leiste, Ulrich H.; Bruck, Hugh A.; Zhu, J. Y.; Vellore, Azhar; Li, Heng; Minus, Marilyn L.; Jia, Zheng; Martini, Ashlie; Li, Teng; Hu, Liangbing

2018-02-01

Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites). Natural wood is a low-cost and abundant material and has been used for millennia as a structural material for building and furniture construction. However, the mechanical performance of natural wood (its strength and toughness) is unsatisfactory for many advanced engineering structures and applications. Pre-treatment with steam, heat, ammonia or cold rolling followed by densification has led to the enhanced mechanical performance of natural wood. However, the existing methods result in incomplete densification and lack dimensional stability, particularly in response to humid environments, and wood treated in these ways can expand and weaken. Here we report a simple and effective strategy to transform bulk natural wood directly into a high-performance structural material with a more than tenfold increase in strength, toughness and ballistic resistance and with greater dimensional stability. Our two-step process involves the partial removal of lignin and hemicellulose from the natural wood via a boiling process in an aqueous mixture of NaOH and Na2SO3 followed by hot-pressing, leading to the total collapse of cell walls and the complete densification of the natural wood with highly aligned cellulose nanofibres. This strategy is shown to be universally effective for various species of wood. Our processed wood has a specific strength higher than that of most structural metals and alloys, making it a low-cost, high-performance, lightweight alternative.

A-π-D-π-A Electron-Donating Small Molecules for Solution-Processed Organic Solar Cells: A Review.

Science.gov (United States)

Wang, Zhen; Zhu, Lingyun; Shuai, Zhigang; Wei, Zhixiang

2017-11-01

Organic solar cells based on semiconducting polymers and small molecules have attracted considerable attention in the last two decades. Moreover, the power conversion efficiencies for solution-processed solar cells containing A-π-D-π-A-type small molecules and fullerenes have reached 11%. However, the method for designing high-performance, photovoltaic small molecules still remains unclear. In this review, recent studies on A-π-D-π-A electron-donating small molecules for organic solar cells are introduced. Moreover, the relationships between molecular properties and device performances are summarized, from which inspiration for the future design of high performance organic solar cells may be obtained. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Donor and Acceptor Polymers for Bulk Hetero Junction Solar Cell and Photodetector Applications

KAUST Repository

Cruciani, Federico

2018-04-01

Bulk heterojunction (BHJ) devices represent a very versatile family of organic cells for both the fields of solar energy conversion and photodetection. Organic photovoltaics (OPV) are an attractive alternative to their silicon-based counterparts because of their potential for low-cost roll-to-roll printing, and their intended application in light-weight mechanically conformable devices and in window-type semi-transparent PV modules. Of all proposed OPV candidates, polymer donor with different absorption range are especially promising when used in conjunction with complementary absorbing acceptor materials, like fullerene derivatives (PCBM), conjugated molecules or polymers, achieving nowadays power conversion efficiencies (PCEs) in the range of 10-13% and being a step closer to practical applications. Among the photodetectors (PD), low band gap polymer blended with PCBM decked out the attention, given their extraordinary range of detection from UV to IR and high detectivity values reached so far, compared to the inorganic devices. Since the research has been focused on the enhancement of those numbers for an effective commercialization of organic cells, the topic of the following thesis has been centered on the synthesis of different polymer structures with diverse absorption ranges, used as donor or acceptor, with emphasis on performance in various BHJ devices either for solar cells and photodetectors. In the first part, two new wide band gap polymers, used as donor material in BHJ devices blended with fullerene and small molecule acceptors, are presented. The PBDT_2FT and PBDTT_2FT have shown nice efficiencies from 7% to 9.8%. The device results are implemented with a morphology study and a specific application in a semi-transparent tandem device, reaching a record PCE of 5.4% for average level of transparency of 48%. In another section two new low band gap polymers (Eopt~ 1.26 eV) named DTP_2FBT and (Eopt~ 1.1 eV) named BDTT_BTQ are presented. While the DTP

Fullerene-containing polymeric stars in bulk and solution by neutron spin-echo

CERN Document Server

Lebedev, V T; Toeroek, G; Cser, L; Bershtein, V A; Zgonnik, V N; Melenevskaya, E Y; Vinogradova, L V

2002-01-01

Stars with C sub 6 sub 0 fullerene core and poly (styrene) (PS) arms have been studied in benzene and in the bulk by neutron spin echo (NSE). Behaviours of stars (six arms, each with a mass M=5.10 sup 3) at momentum transfer q=0.2-0.6 nm sup - sup 1 in the time range t=0.01-20 ns at temperatures T=20-60 C were compared with dynamics of free PS chains. Displaying depressed molecular mobility, the stars did not obey the usual dynamic Zimm or Rouse model. The fullerene polymer interaction at a specific molecular architecture results in oscillating dynamics. (orig.)

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)

Simulation on the Performance of a Driven Fan Made by Polyester/Epoxy interpenetrate polymer network (IPN)

Science.gov (United States)

Fahrul Hassan, Mohd; Jamri, Azmil; Nawawi, Azli; Zaini Yunos, Muhamad; Fauzi Ahmad, Md; Adzila, Sharifah; Nasrull Abdol Rahman, Mohd

2017-08-01

The main purpose of this study is to investigate the performance of a driven fan design made by Polyester/Epoxy interpenetrate polymer network (IPN) material that specifically used for turbocharger compressor. Polyester/Epoxy IPN is polymer plastics that was used as replacements for traditional polymers and has been widely used in a variety of applications because of their limitless conformations. Simulation based on several parameters which are air pressure, air velocity and air temperature have been carried out for a driven fan design performance of two different materials, aluminum alloy (existing driven fan design) and Polyester/Epoxy IPN using SolidWorks Flow Simulation software. Results from both simulations were analyzed and compared where both materials show similar performance in terms of air pressure and air velocity due to similar geometric and dimension, but Polyester/Epoxy IPN produces lower air temperature than aluminum alloy. This study shows a preliminary result of the potential Polyester/Epoxy IPN to be used as a driven fan design material. In the future, further studies will be conducted on detail simulation and experimental analysis.

Performance limitations of polymer electrolytes based on ethylene oxide polymers

International Nuclear Information System (INIS)

Buriez, Olivier; Han, Yong Bong; Hou, Jun; Kerr, John B.; Qiao, Jun; Sloop, Steven E.; Tian, Minmin; Wang, Shanger

1999-01-01

Studies of polymer electrolyte solutions for lithium-polymer batteries are described. Two different salts, lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and lithium trifluoromethanesulfonate (LiTf), were dissolved in a variety of polymers. The structures were all based upon the ethylene oxide unit for lithium ion solvation and both linear and comb-branch polymer architectures have been examined. Conductivity, salt diffusion coefficient and transference number measurements demonstrate the superior transport properties of the LiTFSI salt over LiTf. Data obtained on all of these polymers combined with LiTFSI salts suggest that there is a limit to the conductivity achievable at room temperature, at least for hosts containing ethylene oxide units. The apparent conductivity limit is 5 x 10-5 S/cm at 25 C. Providing that the polymer chain segment containing the ethylene oxide units is at least 5-6 units long there appears to be little influence of the polymer framework to which the solvating groups are attached. To provide adequate separator function, the mechanical properties may be disconnected from the transport properties by selection of an appropriate architecture combined with an adequately long ethylene oxide chain. For both bulk and interfacial transport of the lithium ions, conductivity data alone is insufficient to understand the processes that occur. Lithium ion transference numbers and salt diffusion coefficients also play a major role in the observed behavior and the transport properties of these polymer electrolyte solutions appear to be quite inadequate for ambient temperature performance. At present, this restricts the use of such systems to high temperature applications. Several suggestions are given to overcome these obstacles

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.

Fabrication process for tall, sharp, hollow, high aspect ratio polymer microneedles on a platform

International Nuclear Information System (INIS)

Ceyssens, Frederik; Chaudhri, Buddhadev Paul; Van Hoof, Chris; Puers, Robert

2013-01-01

This paper reports on a new lithographic process for fabricating arrays of tall, high aspect ratio (defined as height/wall thickness), hollow, polymer microneedles on a platform. The microneedles feature a high sharpness (down to 3 µm tip radius) and aspect ratio (>65) which is a factor 2 and 4 better than the state of the art, respectively. The maximum achievable needle shaft length is over 1 mm. The improved performance was obtained by using an anisotropically patterned silicon substrate covered with an antireflective layer as mold for the needle tip and an optimized SU-8 lithographic process. Furthermore, a platform containing liquid feedthroughs holding an arbitrary number of needles out of plane can be manufactured with only one additional process step. The high aspect ratio microneedles undergo failure at the critical load of around 230 mN in the case of 1 mm long hollow needles with triangular cross section and a base of 175 µm. Penetration into human skin is demonstrated as well. (paper)

FEL for the polymer processing industries

Science.gov (United States)

Kelley, Michael J.

1997-05-01

Polymers are everywhere in modern life because of their unique combination of end-use functionalities, ease of processing, recycling potential and modest cost. The physical and economic scope of the infrastructure committed to present polymers makes the introduction of entirely new chemistry unlikely. Rather, the breadth of commercial offerings more likely to shrink in the face of the widening mandate for recycling, especially of packaging. Improved performance and new functionality must therefore come by routes such as surface modification. However they must come with little environmental impact and at painfully low cost. Processing with strongly absorbed light offers unique advantages. The journal and patent literatures disclose a number of examples of benefits that can be achieved, principally by use of excimer lasers or special UV lamps. Examples of commercialization are few, however, because of the unit cost and maximum scale of existing light sources. A FEL, however, offers unique advantages: tunability to the optimum wavelength, potential for scale up to high average power, and a path to attractively low unit cost of light. A business analysis of prospective applications defines the technical and economic requirements a FEL for polymer surface processing must meet. These are compared to FEL technology as it now stands and as it is envisioned.

Electrospray deposition of fullerenes in ultra-high vacuum: in situ scanning tunneling microscopy and photoemission spectroscopy

International Nuclear Information System (INIS)

Satterley, Christopher J; Perdigao, LuIs M A; Saywell, Alex; Magnano, Graziano; Rienzo, Anna; Mayor, Louise C; Dhanak, Vinod R; Beton, Peter H; O'Shea, James N

2007-01-01

Electrospray deposition of fullerenes on gold has been successfully observed by in situ room temperature scanning tunneling microscopy and photoemission spectroscopy. Step-edge decoration and hexagonal close-packed islands with a periodicity of 1 nm are observed at low and multilayer coverages respectively, in agreement with thermal evaporation studies. Photoemission spectroscopy shows that fullerenes are being deposited in high purity and are coupling to the gold surface as for thermal evaporation. These results open a new route for the deposition of thermally labile molecules under ultra-high vacuum conditions for a range of high resolution surface science techniques

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.

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.

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.

Numerical Simulation of Thermal Performance of Glass-Fibre-Reinforced Polymer

Science.gov (United States)

Zhao, Yuchao; Jiang, Xu; Zhang, Qilin; Wang, Qi

2017-10-01

Glass-Fibre-Reinforced Polymer (GFRP), as a developing construction material, has a rapidly increasing application in civil engineering especially bridge engineering area these years, mainly used as decorating materials and reinforcing bars for now. Compared with traditional construction material, these kinds of composite material have obvious advantages such as high strength, low density, resistance to corrosion and ease of processing. There are different processing methods to form members, such as pultrusion and resin transfer moulding (RTM) methods, which process into desired shape directly through raw material; meanwhile, GFRP, as a polymer composite, possesses several particular physical and mechanical properties, and the thermal property is one of them. The matrix material, polymer, performs special after heated and endue these composite material a potential hot processing property, but also a poor fire resistance. This paper focuses on thermal performance of GFRP as panels and corresponding researches are conducted. First, dynamic thermomechanical analysis (DMA) experiment is conducted to obtain the glass transition temperature (Tg) of the object GFRP, and the curve of bending elastic modulus with temperature is calculated according to the experimental data. Then compute and estimate the values of other various thermal parameters through DMA experiment and other literatures, and conduct numerical simulation under two condition respectively: (1) the heat transfer process of GFRP panel in which the panel would be heated directly on the surface above Tg, and the hot processing under this temperature field; (2) physical and mechanical performance of GFRP panel under fire condition. Condition (1) is mainly used to guide the development of high temperature processing equipment, and condition (2) indicates that GFRP’s performance under fire is unsatisfactory, measures must be taken when being adopted. Since composite materials’ properties differ from each other

EFFICIENT POLYMER PHOTOVOLTAIC DEVICES BASED ON POLYMER D-A BLENDS

Institute of Scientific and Technical Information of China (English)

Xian-yu Deng; Li-ping Zheng; Yue-qi Mo; Gang Yu; Wei Yang; Wen-hua Weng; Yong Cao

2001-01-01

Recent work demonstrated that efficient solar-energy conversion could be achieved in polymer photovoltaic cells (PVCs) based on interpenetrating bi-continuous networks[1,2]. In this paper we present a comprehensive study on improving energy conversion efficiencies of PVCs based on composite films of MEHPPV and fullerene derivatives. Carrier collection efficiency of ca. 30% el/ph and energy conversion efficiency of 3.9% were achieved at 500 nm. At reverse bias of 15 V, the photosensitivity reached 0.8 A/W, corresponding to a quantum efficiency over 100% el/ph. These results suggest that high efficiency photoelectric conversion can be achieved in polymer devices with M-P-M structure. These devices are promising for practical applications such as plastic solar cells and plastic photodetectors.

Alkoxybenzothiadiazole-Based Fullerene and Nonfullerene Polymer Solar Cells with High Shunt Resistance for Indoor Photovoltaic Applications.

Science.gov (United States)

Park, Song Yi; Li, Yuxiang; Kim, Jaewon; Lee, Tack Ho; Walker, Bright; Woo, Han Young; Kim, Jin Young

2018-01-31

We synthesized three semicrystalline polymers (PTTBT BO , PDTBT BO , and P2FDTBT BO ) by modulating the intra- and intermolecular noncovalent Coulombic interactions and investigated their photovoltaic characteristics under various light intensities. Low series (R s ) and high shunt (R sh ) resistances are essential prerequisites for good device properties under standard illumination (100 mW cm -2 ). Considering these factors, among three polymers, PDTBT BO polymer solar cells (PSCs) exhibited the most desirable characteristics, with peak power conversion efficiencies (PCE) of 7.52 and 9.60% by being blended with PC 71 BM under standard and dim light (2.5 mW cm -2 ), respectively. P2FDTBT BO PSCs exhibited a low PCE of 3.69% under standard light due to significant charge recombination with high R s (9.42 Ω cm 2 ). However, the PCE was remarkably improved by 2.3 times (8.33% PCE) under dim light, showing negligible decrease in open-circuit voltage and remarkable increase in fill factor, which is due to an exceptionally high R sh of over 1000 kΩ cm 2 . R s is less significant under dim light because the generated current is too small to cause noticeable R s -induced voltage losses. Instead, high R sh becomes more important to avoid leakage currents. This work provides important tips to further optimize PSCs for indoor applications with low-power electronic devices such as Internet of things sensors.

Donor-Acceptor Block Copolymers: Synthesis and Solar Cell Applications

Directory of Open Access Journals (Sweden)

Kazuhiro Nakabayashi

2014-04-01

Full Text Available Fullerene derivatives have been widely used for conventional acceptor materials in organic photovoltaics (OPVs because of their high electron mobility. However, there are also considerable drawbacks for use in OPVs, such as negligible light absorption in the visible-near-IR regions, less compatibility with donor polymeric materials and high cost for synthesis and purification. Therefore, the investigation of non-fullerene acceptor materials that can potentially replace fullerene derivatives in OPVs is increasingly necessary, which gives rise to the possibility of fabricating all-polymer (polymer/polymer solar cells that can deliver higher performance and that are potentially cheaper than fullerene-based OPVs. Recently, considerable attention has been paid to donor-acceptor (D-A block copolymers, because of their promising applications as fullerene alternative materials in all-polymer solar cells. However, the synthesis of D-A block copolymers is still a challenge, and therefore, the establishment of an efficient synthetic method is now essential. This review highlights the recent advances in D-A block copolymers synthesis and their applications in all-polymer solar cells.

Effect of drag-reducing polymers on Tubing Performance Curve (TPC) in vertical gas-liquid flows

NARCIS (Netherlands)

Shoeibi Omrani, P.; Veltin, J.; Turkenburg, D.H.

2014-01-01

This paper discusses the effect of drag reducing polymers on the Tubing Performance Curve (TPC) of vertical air-water flows at near atmospheric conditions. The effect of polymer concentration, liquid and gas flow rates on the pressure drop curve (Tubing Performance Curve) was investigated

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.)

High Performance Cathodes for Li-Air Batteries

Energy Technology Data Exchange (ETDEWEB)

Xing, Yangchuan

2013-08-22

The overall objective of this project was to develop and fabricate a multifunctional cathode with high activities in acidic electrolytes for the oxygen reduction and evolution reactions for Li-air batteries. It should enable the development of Li-air batteries that operate on hybrid electrolytes, with acidic catholytes in particular. The use of hybrid electrolytes eliminates the problems of lithium reaction with water and of lithium oxide deposition in the cathode with sole organic electrolytes. The use of acid electrolytes can eliminate carbonate formation inside the cathode, making air breathing Li-air batteries viable. The tasks of the project were focused on developing hierarchical cathode structures and bifunctional catalysts. Development and testing of a prototype hybrid Li-air battery were also conducted. We succeeded in developing a hierarchical cathode structure and an effective bifunctional catalyst. We accomplished integrating the cathode with existing anode technologies and made a pouch prototype Li-air battery using sulfuric acid as catholyte. The battery cathodes contain a nanoscale multilayer structure made with carbon nanotubes and nanofibers. The structure was demonstrated to improve battery performance substantially. The bifunctional catalyst developed contains a conductive oxide support with ultra-low loading of platinum and iridium oxides. The work performed in this project has been documented in seven peer reviewed journal publications, five conference presentations, and filing of two U.S. patents. Technical details have been documented in the quarterly reports to DOE during the course of the project.

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.

Thermal spraying of polyethylene-based polymers: Processing and characterization

Science.gov (United States)

Otterson, David Mark

This research explores the development of a flame-spray process map as it relates to polymers. This work provides a more complete understanding of the thermal history of the coating material from injection, to deposition and finally to cooling. This was accomplished through precise control of the processing conditions during deposition. Mass flow meters were used to monitor air and fuel flows as they were systematically changed, while temperatures were simultaneously monitored along the length of the flame. A process model was then implemented that incorporated this information along with measured particle velocities, particle size distribution, the polymer's melting temperature and its enthalpy of melting. This computational model was then used to develop a process map that described particle softening, melting and decomposition phenomena as a function of particle size and standoff distance. It demonstrated that changes in particle size caused significant variations in particle states achieved in-flight. A series of experiments were used to determine the range of spray parameters within which a cohesive coating without visible signs of degradation could be sprayed. These results provided additional information that complimented the computational processing map. The boundaries established by these results were the basis for a Statistical Design of Experiments that tested the effects that subtle processing changes had on coating properties. A series of processing maps were developed that combined the computational and the experimental results to describe the manner in which processing parameters interact to determine the degree of melting, polymer degradation and coating porosity. Strong interactions between standoff distance and traverse rate can cause the polymer to degrade and form pores in the coating. A clear picture of the manner in which particle size and standoff distance interact to determine particle melting was provided by combining the computational

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.

CO2-Philic polymer membrane with extremely high separation performance

KAUST Repository

Yave, Wilfredo

2010-01-12

Polymeric membranes are attractive for CO2 separation and concentration from different gas streams because of their versatility and energy efficiency; they can compete with, and they may even replace, traditional absorption processes. Here we describe a simple and powerful method for developing nanostructured and CO2-philic polymer membranes for CO2 separation. A poly(ethylene oxide)-poly(butylene terephthalate) multiblock copolymer is used as membrane material. Smart additives such as polyethylene glycol dibutyl ether are incorporated as spacers or fillers for producing nanostructured materials. The addition of these specific additives produces CO2-philic membranes and increases the CO2 permeability (750 barrer) up to five-fold without the loss of selectivity. The membranes present outstanding performance for CO2 separation, and the measured CO2 flux is extremely high ( > 2 m3 m -2 h-1 bar-1) with selectivity over H2 and N2 of 10 and 40, respectively, making them attractive for CO 2 capture. © 2009 American Chemical Society.

CO2-Philic polymer membrane with extremely high separation performance

KAUST Repository

Yave, Wilfredo; Car, Anja; Funari, S.; Nunes, Suzana Pereira; Peinemann, Klaus-Viktor

2010-01-01

Polymeric membranes are attractive for CO2 separation and concentration from different gas streams because of their versatility and energy efficiency; they can compete with, and they may even replace, traditional absorption processes. Here we describe a simple and powerful method for developing nanostructured and CO2-philic polymer membranes for CO2 separation. A poly(ethylene oxide)-poly(butylene terephthalate) multiblock copolymer is used as membrane material. Smart additives such as polyethylene glycol dibutyl ether are incorporated as spacers or fillers for producing nanostructured materials. The addition of these specific additives produces CO2-philic membranes and increases the CO2 permeability (750 barrer) up to five-fold without the loss of selectivity. The membranes present outstanding performance for CO2 separation, and the measured CO2 flux is extremely high ( > 2 m3 m -2 h-1 bar-1) with selectivity over H2 and N2 of 10 and 40, respectively, making them attractive for CO 2 capture. © 2009 American Chemical Society.

Structural Variations to a Donor Polymer with Low Energy Losses

KAUST Repository

Bazan, Guillermo C

2017-08-01

Two regioregular narrow band gap conjugated polymers with a D’-A-D-A repeat unit architecture, namely PIFCF and PSFCF, were designed and synthesized. Both polymers contain strictly organized fluorobenzo[c][1,2,5]thiadiazole (FBT) orientations and different solubilizing side chains for solution processing. Compared to the previously reported asymmetric pyridyl-[2,1,3]thiadiazole (PT) based regioregular polymer, namely PIPCP, PIFCF and PSFCF exhibit wider band gaps, tighter π-π stacking, and improved hole mobilities. When incorporated into solar cells with fullerene acceptors, the Eloss = Eg - eVoc values of PIFCF and PSFCF devices are increased compared to solar cells based on PIPCP. Determination of Ect in these solar cells reveals that, relative to PIPCP, PIFCF solar cells lose more energy from Eg - Ect, and PSFCF solar cells lose more energy from both Eg - Ect and Ect - eVoc. The close structural relationship between PIPCP and PIFCF provides an excellent framework to establish molecular features that impact the relationship between Eg and Ect. Theoretical calculations predict that Eloss of PIFCF:PC61BM would be higher than in the case of PIPCP:PC61BM, due to greater Eg - Ect. These findings provide insight into the design of high performance, low voltage loss photovoltaic polymeric materials with desirable optoelectronic properties.

Performance evaluation of an air-breathing high-temperature proton exchange membrane fuel cell

International Nuclear Information System (INIS)

Wu, Qixing; Li, Haiyang; Yuan, Wenxiang; Luo, Zhongkuan; Wang, Fang; Sun, Hongyuan; Zhao, Xuxin; Fu, Huide

2015-01-01

Highlights: • An air-breathing HT-PEMFC was designed and evaluated experimentally. • The peak power density of the air-breathing HT-PEMFC was 220.5 mW cm"−"2 at 200 °C. • Break-in behavior and effects of temperature and anodic stoichiometry were studied. • The effect of cell orientations on the performance was investigated. • The degradation rate of the air-breathing HT-PEMFC was around 58.32 μV h"−"1. - Abstract: The air-breathing proton exchange membrane fuel cell (PEMFC) is of great interest in mobile power sources because of its simple system design and low parasitic power consumption. Different from previous low-temperature air-breathing PEMFCs, a high-temperature PEMFC with a phosphoric acid doped polybenzimidazole (PBI) membrane as the polymer electrolyte is designed and investigated under air-breathing conditions. The preliminary results show that a peak power density of 220.5 mW cm"−"2 at 200 °C can be achieved without employing any water managements, which is comparable to those with conventional Nafion® membranes operated at low temperatures. In addition, it is found that with the present cell design, the limiting current density arising from the oxygen transfer limitation is around 700 mA cm"−"2 even at 200 °C. The short-term durability test at 200 mA cm"−"2 and 180 °C reveals that all the cells exhibit a gradual decrease in the voltage along with a rise in the internal resistance. The degradation rate of continuous operation is around 58.32 μV h"−"1, which is much smaller than those of start/stop cycling operations.

Optical limiting properties of fullerenes and related materials

Science.gov (United States)

Riggs, Jason Eric

Optical limiting properties of fullerene C60 and different C60 derivatives (methano-, pyrrolidino-, and amino-) towards nanosecond laser pulses at 532 nm were studied. The results show that optical limiting responses of the C60 derivatives are similar to those of the parent C60 despite their different linear absorption and emission properties. For C60 and the derivatives in room-temperature solutions of varying concentrations and optical path length, the optical limiting responses are strongly concentration dependent. The concentration dependence is not due to any optical artifacts since the results obtained under the same experimental conditions for reference systems show no such dependence. Similarly, optical limiting results of fullerenes are strongly dependent on the medium viscosity, with responses in viscous media weaker than that in room-temperature solutions. The solution concentration and medium viscosity dependencies are not limited to fullerenes. In fact, the results from a systematic investigation of several classes of nonlinear absorptive organic dyes show that the optical limiting responses are also concentration and medium viscosity dependent. Interestingly, however, such dependencies are uniquely absent in the optical limiting responses of metallophthalocyanines. In classical photophysics, the strong solution concentration and medium viscosity dependencies are indicative of significant contributions from photoexcited-state bimolecular processes. Thus, the experimental results are discussed in terms of a significantly modified five-level reverse saturable absorption mechanism. Optical limiting properties of single-walled and multiple-walled carbon nanotubes toward nanosecond laser pulses at 532 nm were also investigated. When suspended in water, the single-walled and multiple-walled carbon nanotubes exhibit essentially the same optical limiting responses, and the results are also comparable with those of carbon black aqueous suspension. For

Planar conjugated polymers containing 9,10-disubstituted phenanthrene units for efficient polymer solar cells.

Science.gov (United States)

Li, Guangwu; Kang, Chong; Li, Cuihong; Lu, Zhen; Zhang, Jicheng; Gong, Xue; Zhao, Guangyao; Dong, Huanli; Hu, Wenping; Bo, Zhishan

2014-06-01

Four novel conjugated polymers (P1-4) with 9,10-disubstituted phenanthrene (PhA) as the donor unit and 5,6-bis(octyloxy)benzothiadiazole as the acceptor unit are synthesized and characterized. These polymers are of medium bandgaps (2.0 eV), low-lying HOMO energy levels (below -5.3 eV), and high hole mobilities (in the range of 3.6 × 10(-3) to 0.02 cm(2) V(-1) s(-1) ). Bulk heterojunction (BHJ) polymer solar cells (PSCs) with P1-4:PC71 BM blends as the active layer and an alcohol-soluble fullerene derivative (FN-C60) as the interfacial layer between the active layer and cathode give the best power conversion efficiency (PCE) of 4.24%, indicating that 9,10-disubstituted PhA are potential donor materials for high-efficiency BHJ PSCs. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hybrid tandem solar cells with depleted-heterojunction quantum dot and polymer bulk heterojunction subcells

KAUST Repository

Kim, Taesoo; Gao, Yangqin; Hu, Hanlin; Yan, Buyi; Ning, Zhijun; Jagadamma, Lethy Krishnan; Zhao, Kui; Kirmani, Ahmad R.; Eid, Jessica; Adachi, Michael M.; Sargent, Edward H.; Beaujuge, Pierre; Amassian, Aram

2015-01-01

with underlayers and associated constraints on the tandem architecture, and show that an adequate device configuration consists of a low bandgap CQD bottom cell and a high bandgap polymer:fullerene top cell. Once we optimize the recombination layer and individual

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.

Reduced voltage losses yield 10% efficient fullerene free organic solar cells with >1 V open circuit voltages

KAUST Repository

Baran, D.

2016-11-09

Optimization of the energy levels at the donor-acceptor interface of organic solar cells has driven their efficiencies to above 10%. However, further improvements towards efficiencies comparable with inorganic solar cells remain challenging because of high recombination losses, which empirically limit the open-circuit voltage (Voc) to typically less than 1 V. Here we show that this empirical limit can be overcome using non-fullerene acceptors blended with the low band gap polymer PffBT4T-2DT leading to efficiencies approaching 10% (9.95%). We achieve Voc up to 1.12 V, which corresponds to a loss of only Eg/q - Voc = 0.5 ± 0.01 V between the optical bandgap Eg of the polymer and Voc. This high Voc is shown to be associated with the achievement of remarkably low non-geminate and non-radiative recombination losses in these devices. Suppression of non-radiative recombination implies high external electroluminescence quantum efficiencies which are orders of magnitude higher than those of equivalent devices employing fullerene acceptors. Using the balance between reduced recombination losses and good photocurrent generation efficiencies achieved experimentally as a baseline for simulations of the efficiency potential of organic solar cells, we estimate that efficiencies of up to 20% are achievable if band gaps and fill factors are further optimized. © The Royal Society of Chemistry 2016.

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

Science.gov (United States)

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

2003-03-07

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

RESEARCH ON THE ELECTRONIC AND OPTICAL PROPERTIES OF POLYMER AND OTHER ORGANIC MOLECULAR THIN FILMS

Energy Technology Data Exchange (ETDEWEB)

ALEXEI G. VITUKHNOVSKY; IGOR I. SOBELMAN - RUSSIAN ACADEMY OF SCIENCES

1995-09-06

Optical properties of highly ordered films of poly(p-phenylene) (PPP) on different substrates, thin films of mixtures of conjugated polymers, of fullerene and its composition with polymers, molecular J-aggregates of cyanine dyes in frozen matrices have been studied within the framework of the Agreement. Procedures of preparation of high-quality vacuum deposited PPP films on different substrates (ITO, Si, GaAs and etc.) were developed. Using time-correlated single photon counting technique and fluorescence spectroscopy the high quality of PPP films has been confirmed. Dependence of structure and optical properties on the conditions of preparation were investigated. The fluorescence lifetime and spectra of highly oriented vacuum deposited PPP films were studied as a function of the degree of polymerization. It was shown for the first time that the maximum fluorescence quantum yield is achieved for the chain length approximately equal to 35 monomer units. The selective excitation of luminescence of thin films of PPP was performed in the temperature range from 5 to 300 K. The total intensity of luminescence monotonically decreases with decreasing temperature. Conditions of preparation of highly cristallyne fullerene C{sub 60} films by the method of vacuum deposition were found. Composites of C{sub 60} with conjugated polymers PPV and polyacetylene (PA) were prepared. The results on fluorescence quenching, IR and resonant Raman spectroscopy are consistent with earlier reported ultrafast photoinduced electron transfer from PPV to C{sub 60} and show that the electron transfer is absent in the case of the PA-C{sub 60} composition. Strong quenching of PPV fluorescence was observed in the PPV-PA blends. The electron transfer from PPV to PA can be considered as one of the possible mechanisms of this quenching. The dynamics of photoexcitations in different types of J-aggregates of the carbocyanine dye was studied at different temperatures in frozen matrices. The optical

A salt water battery with high stability and charging rates made from solution processed conjugated polymers with polar side chains

KAUST Repository

Moia, Davide

2017-11-28

We report a neutral salt water based battery which uses p-type and n-type solution processed polymer films as the cathode and the anode of the cell. The specific capacity of the electrodes (approximately 30 mAh cm-3) is achieved via formation of bipolarons in both the p-type and n-type polymers. By engineering ethylene glycol and zwitterion based side chains attached to the polymer backbone we facilitate rapid ion transport through the non-porous polymer films. This, combined with efficient transport of electronic charge via the conjugated polymer backbones, allowed the films to maintain constant capacity at high charge and discharge rates (>1000 C-rate). The electrodes also show good stability during electrochemical cycling (less than 30% decrease in capacity over >1000 cycles) and an output voltage up to 1.4 V. The performance of these semiconducting polymers with polar side-chains demonstrates the potential of this material class for fast-charging, water based electrochemical energy storage devices.

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.

A new fullerene network phase obtained from C.sub.70./sub. at high-pressure and high-temperature

Czech Academy of Sciences Publication Activity Database

Marques, L.; Skorokhod, Yuriy; Soares, R.

2015-01-01

Roč. 9, č. 9 (2015), s. 535-538 ISSN 1862-6254 Institutional support: RVO:68378271 Keywords : fullerene s * high-pressure synthesis * X-ray diffraction * density functional calculations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.578, year: 2015

High-throughput microarray mapping of cell wall polymers in roots and tubers during the viscosity-reducing process

DEFF Research Database (Denmark)

Huang, Yuhong; Willats, William George Tycho; Lange, Lene

2016-01-01

the viscosity-reducing process are poorly characterized. Comprehensive microarray polymer profiling, which is a high-throughput microarray, was used for the first time to map changes in the cell wall polymers of sweet potato (Ipomoea batatas), cassava (Manihot esculenta), and Canna edulis Ker. over the entire...... viscosity-reducing process. The results indicated that the composition of cell wall polymers among these three roots and tubers was markedly different. The gel-like matrix and glycoprotein network in the C. edulis Ker. cell wall caused difficulty in viscosity reduction. The obvious viscosity reduction......Viscosity reduction has a great impact on the efficiency of ethanol production when using roots and tubers as feedstock. Plant cell wall-degrading enzymes have been successfully applied to overcome the challenges posed by high viscosity. However, the changes in cell wall polymers during...

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.

Effects of alkyl chain length and substituent pattern of fullerene bis-adducts on film structures and photovoltaic properties of bulk heterojunction solar cells.

Science.gov (United States)

Tao, Ran; Umeyama, Tomokazu; Kurotobi, Kei; Imahori, Hiroshi

2014-10-08

A series of alkoxycarbonyl-substituted dihydronaphthyl-based [60]fullerene bis-adduct derivatives (denoted as C2BA, C4BA, and C6BA with the alkyl chain of ethyl, n-butyl, and n-hexyl, respectively) have been synthesized to investigate the effects of alkyl chain length and substituent pattern of fullerene bis-adducts on the film structures and photovoltaic properties of bulk heterojunction polymer solar cells. The shorter alkyl chain length caused lower solubility of the fullerene bis-adducts (C6BA > C4BA > C2BA), thereby resulting in the increased separation difficulty of respective bis-adduct isomers. The device performance based on poly(3-hexylthiophene) (P3HT) and the fullerene bis-adduct regioisomer mixtures was enhanced by shortening the alkyl chain length. When using the regioisomerically separated fullerene bis-adducts, the devices based on trans-2 and a mixture of trans-4 and e of C4BA exhibited the highest power conversion efficiencies of ca. 2.4%, which are considerably higher than those of the C6BA counterparts (ca. 1.4%) and the C4BA regioisomer mixture (1.10%). The film morphologies as well as electron mobilities of the P3HT:bis-adduct blend films were found to affect the photovoltaic properties considerably. These results reveal that the alkyl chain length and substituent pattern of fullerene bis-adducts significantly influence the photovoltaic properties as well as the film structures of bulk heterojunction solar cells.

Surfactant-free fabrication of fullerene C{sub 60} nanotubules under shear

Energy Technology Data Exchange (ETDEWEB)

Vimalanathan, Kasturi; Raston, Colin L. [Flinders Centre for NanoScale Science Technology (CNST) Chemical and Physical Sciences, Flinders University, Adelaide (Australia); Shrestha, Rekha Goswami [International Centre for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki (Japan); Zhang, Zhi; Zou, Jin [Materials Engineering and Centre for Microscopy and Microanalysis, University of Queensland, Brisbane, QLD (Australia); Nakayama, Tomonobu [International Centre for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki (Japan); Graduate School of Pure and Applied Sciences, University of Tsukuba, Ibaraki (Japan)

2017-07-10

A method for controlling the self-assembly of fullerene C{sub 60} molecules into nanotubules in the fcc phase, devoid of entrapped solvent, has been established in a thin film microfluidic device. The micron length C{sub 60} nanotubules, with individual hollow diameters of 100 to 400 nm, are formed under continuous flow processing during high shear micromixing of water and a toluene solution of the fullerene, in the absence of surfactant, and without the need for further down-stream processing. TEM revealed pores on the surface of the nanotubes, and the isolated material has a much higher response to small molecule sensing than that for analogous material formed using multistep batch processing. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

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.

High performance polymeric foams

International Nuclear Information System (INIS)

Gargiulo, M.; Sorrentino, L.; Iannace, S.

2008-01-01

The aim of this work was to investigate the foamability of high-performance polymers (polyethersulfone, polyphenylsulfone, polyetherimide and polyethylenenaphtalate). Two different methods have been used to prepare the foam samples: high temperature expansion and two-stage batch process. The effects of processing parameters (saturation time and pressure, foaming temperature) on the densities and microcellular structures of these foams were analyzed by using scanning electron microscopy

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.

High temperature polymer film dielectrics for aerospace power conditioning capacitor applications

Energy Technology Data Exchange (ETDEWEB)

Venkat, Narayanan, E-mail: venkats3@gmail.co [University of Dayton Research Institute (UDRI), Dayton, OH 45469 (United States); Dang, Thuy D. [Air Force Research Laboratory-Nanostructured and Biological Materials Branch (AFRL/RXBN) (United States); Bai Zongwu; McNier, Victor K. [University of Dayton Research Institute (UDRI), Dayton, OH 45469 (United States); DeCerbo, Jennifer N. [Air Force Research Laboratory-Electrical Technology Branch (AFRL/RZPE), Wright-Patterson Air Force Base, OH 45433 (United States); Tsao, B.-H. [University of Dayton Research Institute (UDRI), Dayton, OH 45469 (United States); Stricker, Jeffery T. [Air Force Research Laboratory-Electrical Technology Branch (AFRL/RZPE), Wright-Patterson Air Force Base, OH 45433 (United States)

2010-04-15

Polymer dielectrics are the preferred materials of choice for capacitive energy-storage applications because of their potential for high dielectric breakdown strengths, low dissipation factors and good dielectric stability over a wide range of frequencies and temperatures, despite having inherently lower dielectric constants relative to ceramic dielectrics. They are also amenable to large area processing into films at a relatively lower cost. Air Force currently has a strong need for the development of compact capacitors which are thermally robust for operation in a variety of aerospace power conditioning applications. While such applications typically use polycarbonate (PC) dielectric films in wound capacitors for operation from -55 deg. C to 125 deg. C, future power electronic systems would require the use of polymer dielectrics that can reliably operate up to elevated temperatures in the range of 250-350 deg. C. The focus of this research is the generation and dielectric evaluation of metallized, thin free-standing films derived from high temperature polymer structures such as fluorinated polybenzoxazoles, post-functionalized fluorinated polyimides and fluorenyl polyesters incorporating diamond-like hydrocarbon units. The discussion is centered mainly on variable temperature dielectric measurements of film capacitance and dissipation factor and the effects of thermal cycling, up to a maximum temperature of 350 deg. C, on film dielectric performance. Initial studies clearly point to the dielectric stability of these films for high temperature power conditioning applications, as indicated by their relatively low temperature coefficient of capacitance (TCC) (approx2%) over the entire range of temperatures. Some of the films were also found to exhibit good dielectric breakdown strengths (up to 470 V/mum) and a film dissipation factor of the order of <0.003 (0.3%) at the frequency of interest (10 kHz) for the intended applications. The measured relative dielectric

Morphology of polymer-based films for organic photovoltaics

OpenAIRE

Ruderer, Matthias A.

2012-01-01

In this thesis, polymer-based films are examined for applications in organic photovoltaics. Polymer-fullerene, polymer-polymer and diblock copolymer systems are characterized as active layer materials. The focus is on experimental parameters influencing the morphology formation of the active layer in organic solar cells. Scattering and imaging techniques provide a complete understanding of the internal structure on different length scales which is compared to spectroscopic and photovoltaic pr...

An Electron-Transporting Thiazole-Based Polymer Synthesized Through Direct (Hetero)Arylation Polymerization.

Science.gov (United States)

Chávez, Patricia; Bulut, Ibrahim; Fall, Sadiara; Ibraikulov, Olzhas A; Chochos, Christos L; Bartringer, Jérémy; Heiser, Thomas; Lévêque, Patrick; Leclerc, Nicolas

2018-05-25

In this work, a new n -type polymer based on a thiazole-diketopyrrolopyrrole unit has been synthesized through direct (hetero)arylation polycondensation. The molar mass has been optimized by systematic variation of the the monomer concentration. Optical and electrochemical properties have been studied. They clearly suggested that this polymer possess a high electron affinity together with a very interesting absorption band, making it a good non-fullerene acceptor candidate. As a consequence, its charge transport and photovoltaic properties in a blend with the usual P3HT electron-donating polymer have been investigated.

An Electron-Transporting Thiazole-Based Polymer Synthesized Through Direct (HeteroArylation Polymerization

Directory of Open Access Journals (Sweden)

Patricia Chávez

2018-05-01

Full Text Available In this work, a new n-type polymer based on a thiazole-diketopyrrolopyrrole unit has been synthesized through direct (heteroarylation polycondensation. The molar mass has been optimized by systematic variation of the the monomer concentration. Optical and electrochemical properties have been studied. They clearly suggested that this polymer possess a high electron affinity together with a very interesting absorption band, making it a good non-fullerene acceptor candidate. As a consequence, its charge transport and photovoltaic properties in a blend with the usual P3HT electron-donating polymer have been investigated.

A Lithium-Air Battery Stably Working at High Temperature with High Rate Performance.

Science.gov (United States)

Pan, Jian; Li, Houpu; Sun, Hao; Zhang, Ye; Wang, Lie; Liao, Meng; Sun, Xuemei; Peng, Huisheng

2018-02-01

Driven by the increasing requirements for energy supply in both modern life and the automobile industry, the lithium-air battery serves as a promising candidate due to its high energy density. However, organic solvents in electrolytes are likely to rapidly vaporize and form flammable gases under increasing temperatures. In this case, serious safety problems may occur and cause great harm to people. Therefore, a kind of lithium-air that can work stably under high temperature is desirable. Herein, through the use of an ionic liquid and aligned carbon nanotubes, and a fiber shaped design, a new type of lithium-air battery that can effectively work at high temperatures up to 140 °C is developed. Ionic liquids can offer wide electrochemical windows and low vapor pressures, as well as provide high thermal stability for lithium-air batteries. The aligned carbon nanotubes have good electric and heat conductivity. Meanwhile, the fiber format can offer both flexibility and weavability, and realize rapid heat conduction and uniform heat distribution of the battery. In addition, the high temperature has also largely improved the specific powers by increasing the ionic conductivity and catalytic activity of the cathode. Consequently, the lithium-air battery can work stably at 140 °C with a high specific current of 10 A g -1 for 380 cycles, indicating high stability and good rate performance at high temperatures. This work may provide an effective paradigm for the development of high-performance energy storage devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thieno[3,4-c]pyrrole-4,6-dione-3,4-difluorothiophene Polymer Acceptors for Efficient All-Polymer Bulk Heterojunction Solar Cells

KAUST Repository

Liu, Shengjian

2016-09-16

Branched-alkyl-substituted poly(thieno[3,4-c]pyrrole-4,6-dione-alt-3,4-difluorothiophene) (PTPD[2F]T) can be used as a polymer acceptor in bulk heterojunction (BHJ) solar cells with a low-band-gap polymer donor (PCE10) commonly used with fullerenes. The

Gas-Transport-Property Performance of Hybrid Carbon Molecular Sieve−Polymer Materials

KAUST Repository

Das, Mita

2010-10-06

High-performance hybrid materials using carbon molecular sieve materials and 6FDA-6FpDA were produced. A detailed analysis of the effects of casting processes and the annealing temperature is reported. Two existing major obstacles, sieve agglomeration and residual stress, were addressed in this work, and subsequently a new membrane formation technique was developed to produce high-performing membranes. The successfully improved interfacial region of the hybrid membranes allows the sieves to increase the selectivity of the membranes above the neat polymer properties. Furthermore, an additional performance enhancement was seen with increased sieve loading in the hybrid membranes, leading to an actual performance above the upper bound for pure polymer membranes. The membranes were also tested under a mixed-gas environment, which further demonstrated promising results. © 2010 American Chemical Society.

Insights into the Mechanism and Kinetics of Thermo-Oxidative Degradation of HFPE High Performance Polymer.

Science.gov (United States)

Kunnikuruvan, Sooraj; Parandekar, Priya V; Prakash, Om; Tsotsis, Thomas K; Nair, Nisanth N

2016-06-02

The growing requisite for materials having high thermo-oxidative stability makes the design and development of high performance materials an active area of research. Fluorination of the polymer backbone is a widely applied strategy to improve various properties of the polymer, most importantly the thermo-oxidative stability. Many of these fluorinated polymers are known to have thermo-oxidative stability up to 700 K. However, for space and aerospace applications, it is important to improve its thermo-oxidative stability beyond 700 K. Molecular-level details of the thermo-oxidative degradation of such polymers can provide vital information to improve the polymer. In this spirit, we have applied quantum mechanical and microkinetic analysis to scrutinize the mechanism and kinetics of the thermo-oxidative degradation of a fluorinated polymer with phenylethenyl end-cap, HFPE. This study gives an insight into the thermo-oxidative degradation of HFPE and explains most of the experimental observations on the thermo-oxidative degradation of this polymer. Thermolysis of C-CF3 bond in the dianhydride component (6FDA) of HFPE is found to be the rate-determining step of the degradation. Reaction pathways that are responsible for the experimentally observed weight loss of the polymer is also scrutinized. On the basis of these results, we propose a modification of HFPE polymer to improve its thermo-oxidative stability.

Testing of Air Pulse Agitators to Support Design of Savannah River Site Highly Radioactive Processing at the Salt Waste Processing Facility

International Nuclear Information System (INIS)

Gallego, R.M.; Stephens, A.B.; Wilkinson, R.H.; Dev, H.; Suggs, P.C.

2006-01-01

The Salt Waste Processing Facility (SWPF) is intended to concentrate the highly radioactive constituents from waste salt solutions at the Savannah River Site (SRS). Air Pulse Agitators (APAs) were selected for process mixing in high-radiation locations at the SWPF. This technology has the advantage of no moving parts within the hot cell, eliminating potential failure modes and the need for maintenance within the high-radiation environment. This paper describes the results of APA tests performed to gain operational and performance data for the SWPF design. (authors)

From Morphology to Interfaces to Tandem Geometries: Enhancing the Performance of Perovskite/Polymer Solar Cells

Science.gov (United States)

Russell, Thomas

We have taken a new approach to develop mesoporous lead iodide scaffolds, using the nucleation and growth of lead iodide crystallites in a wet film. A simple time-dependent growth control enabled the manipulation of the mesoporous lead iodide layer quality in a continuous manner. The morphology of lead iodide is shown to influence the subsequent crystallization of methyamoniumleadiodide film by using angle-dependent grazing incidence x-ray scattering. The morphology of lead iodide film can be fine-tuned, and thus the methyamoniumleadiodide film quality can be effectively controlled, leading to an optimization of the perovskite active layer. Using this strategy, perovskite solar cells with inverted PHJ structure showed a PCE of 15.7 per cent with little hysteresis. Interface engineering is critical for achieving efficient solar cells, yet a comprehensive understanding of the interface between metal electrode and electron transport layer (ETL) is lacking. A significant power conversion efficiency (PCE) improvement of fullerene/perovskite planar heterojunction solar cells was achieved by inserting a fulleropyrrolidine interlayer between the silver electrode and electron transport layer. The interlayer was found to enhance recombination resistance, increases electron extraction rate and prolongs free carrier lifetime. We also uncovered a facile solution-based fabrication of high performance tandem perovskite/polymer solar cells where the front sub-cell consists of perovskite and the back sub-cell is a polymer-based layer. A record maximum PCE of 15.96 per cent was achieved, demonstrating the synergy between the perovskite and semiconducting polymers. This design balances the absorption of the perovskite and the polymer, eliminates the adverse impact of thermal annealing during perovskite fabrication, and affords devices with no hysteresis. This work was performed in collaboration with Y. Liu, Z. Page, D. Venkataraman and T. Emrick (UMASS), F. Liu (LBNL) and Q. Hu and R

Synthesis of endohedral iron-fullerenes by ion implantation

International Nuclear Information System (INIS)

Minezaki, H.; Ishihara, S.; Uchida, T.; Muramatsu, M.; Kitagawa, A.; Rácz, R.; Biri, S.; Asaji, T.; Kato, Y.; Yoshida, Y.

2014-01-01

In this paper, we discuss the results of our study of the synthesis of endohedral iron-fullerenes. A low energy Fe + ion beam was irradiated to C 60 thin film by using a deceleration system. Fe + -irradiated C 60 thin film was analyzed by high performance liquid chromatography and laser desorption/ ionization time-of-flight mass spectrometry. We investigated the performance of the deceleration system for using a Fe + beam with low energy. In addition, we attempted to isolate the synthesized material from a Fe + -irradiated C 60 thin film by high performance liquid chromatography

Recent advances in electron beam processing of polymers

International Nuclear Information System (INIS)

Gueven, Olgun

2005-01-01

The synergy achieved through developments on the design and manufacturing of new low, medium and high energy electron accelerators with relatively high powers and innovative solutions in material formulation better responding to radiation processing has opened new application opportunities in electron beam treatment of polymers. All these developments are still based however, on the major ultimate effects of ionizing radiation on polymers namely, crosslinking, curing, grafting and chain scissionning. The objective of this paper is to provide an overview of recent developments and emerging applications toward commercialization of electron beam processing of polymers. (author)

Novel polybenzimidazole derivatives for high temperature polymer electrolyte membrane fuel cell applications

Science.gov (United States)

Xiao, Lixiang

sulfonated aromatic polymers. 31P-NMR technique was also used together with the titration and conductivity measurements to study the hydrolysis processes of PBI polymers with different structures and to further understand the effect of the polymer structure, PPA solution parameters and process conditions on the resulting membrane properties. The PA doped PBI membranes from the PPA process generally exhibited high acid doping levels from approximately 10--50 moles of PA per PBI repeat unit, which contributed to their unprecedented high proton conductivity values in the range of 0.1--0.3 S/cm. Owing to the high molecular weight of the PBI polymers and the unique gel structures resulting from the PPA process, these membranes exhibited high mechanical properties at high acid doping levels. It has been shown that the PBIs with more para linkages generally gave membranes with higher PA doping levels, higher mechanical properties and higher proton conductivities. Preliminary fuel cell performance evaluations on selected PBI polymer compositions together with a ˜1200 hours' long-term fuel cell test demonstrated the feasibility of the novel PBI derivative polymer electrolyte membranes from the PPA process for operating a fuel cell at temperatures in excess of 120°C without any external humidification or pressure requirements.

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)

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.

Polymer electronics

CERN Document Server

Hsin-Fei, Meng

2013-01-01

Polymer semiconductor is the only semiconductor that can be processed in solution. Electronics made by these flexible materials have many advantages such as large-area solution process, low cost, and high performance. Researchers and companies are increasingly dedicating time and money in polymer electronics. This book focuses on the fundamental materials and device physics of polymer electronics. It describes polymer light-emitting diodes, polymer field-effect transistors, organic vertical transistors, polymer solar cells, and many applications based on polymer electronics. The book also disc

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.

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

Intrinsically Microporous Polymer Membranes for High Performance Gas Separation

KAUST Repository

Swaidan, Raja

2014-01-01

This dissertation addresses the rational design of intrinsically microporous solutionprocessable polyimides and ladder polymers for highly permeable and highly selective gas transport in cornerstone applications of membrane-based gas separation

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.

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

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.

A striking performance improvement of fullerene n-channel field-effect transistors via synergistic interfacial modifications

International Nuclear Information System (INIS)

Du, Lili; Luo, Xiao; Wen, Zhanwei; Zhang, Jianping; Sun, Lei; Lv, Wenli; Li, Yao; Zhao, Feiyu; Zhong, Junkang; Ren, Qiang; Huang, Fobao; Xia, Hongquan; Peng, Yingquan

2015-01-01

For fullerene based n-channel transistors, remarkably improved device characteristics were achieved via charge injection and transport interfacial synergistic modifications using low-cost aluminium source/drain electrodes. Compared with the reference device without any modifications (device A), the as-fabricated transistor (device H) showed a dramatic improvement of saturation mobility from 0.0026 to 0.3078 cm 2 V −1 s −1 with a maximum on–off current ratio of 10 6 and a minimum subthreshold slope of 1.52 V decade −1 . AFM and XRD analysis manifested that the deposited C 60 films on PVA/OTS successive-modified SiO 2 substrate were highly dense polycrystalline and uniform with larger crystalline grain and less grain boundary. A gap state assisted electron injection mechanism was proposed to explicate the enhanced electrical conductivity considering BCP modification for charge injection interface, which has been well corroborated by a diode-based injection experiment and a theoretical calculation of contact resistances. We further demonstrated the application of the concept modification method to enable comparative time-stable operation of fullerene n-channel transistors. Given many key merits, we believed that this general method using multi-interface modifications could be extended to fabricate other n-channel OFETs with superior electrical performance and stability. (paper)

Morphological control in polymer solar cells using low-boiling-point solvent additives

Science.gov (United States)

Mahadevapuram, Rakesh C.

In the global search for clean, renewable energy sources, organic photovoltaics (OPVs) have recently been given much attention. Popular modern-day OPVs are made from solution-processible, carbon-based polymers (e.g. the model poly(3-hexylthiophene) that are intimately blended with fullerene derivatives (e.g. [6,6]-phenyl-C71-butyric acid methyl ester) to form what is known as the dispersed bulk-heterojunction (BHJ). This BHJ architecture has produced some of the most efficient OPVs to date, with reports closing in on 10% power conversion efficiency. To push efficiencies further into double digits, many groups have identified the BHJ nanomorphology---that is, the phase separations and grain sizes within the polymer: fullerene composite---as a key aspect in need of control and improvement. As a result, many methods, including thermal annealing, slow-drying (solvent) annealing, vapor annealing, and solvent additives, have been developed and studied to promote BHJ self-organization. Processing organic photovoltaic (OPV) blend solutions with high-boiling-point solvent additives has recently been used for morphological control in BHJ OPV cells. Here we show that even low-boiling-point solvents can be effective additives. When P3HT:PCBM OPV cells were processed with a low-boiling-point solvent tetrahydrafuran as an additive in parent solvent o-dichlorobenzene, charge extraction increased leading to fill factors as high as 69.5%, without low work-function cathodes, electrode buffer layers or thermal treatment. This was attributed to PCBM demixing from P3HT domains and better vertical phase separation, as indicated by photoluminescence lifetimes, hole mobilities, and shunt leakage currents. Dependence on solvent parameters and applicability beyond P3HT system was also investigated.

Preliminary study on aluminum-air battery applying disposable soft drink cans and Arabic gum polymer

Science.gov (United States)

Alva, S.; Sundari, R.; Wijaya, H. F.; Majlan, E. H.; Sudaryanto; Arwati, I. G. A.; Sebayang, D.

2017-09-01

This study is in relation to preliminary investigation of aluminium-air battery using disposable soft drink cans as aluminium source for anode. The cathode uses commercial porous carbon sheet to trap oxygen from air. This work applies a commercial cashing to place carbon cathode, electrolyte, Arabic gum polymer, and aluminium anode in a sandwich-like arrangement to form the aluminium-air battery. The Arabic gum as electrolyte polymer membrane protects anode surface from corrosion due to aluminium oxide formation. The study result shows that the battery discharge test using constant current loading of 0.25 mA yields battery capacity of 0.437 mAh with over 100 minute battery life times at 4M NaOH electrolyte and 20 % Arabic gum polymer as the best performance in this investigation. This study gives significant advantage in association with beneficiation of disposable soft drink cans from municipal solid waste as aluminium source for battery anode.

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

A facile route to inverted polymer solar cells using a precursor based zinc oxide electron transport layer

NARCIS (Netherlands)

Bruyn, P. de; Moet, D.J.D.; Blom, P.W.M.

2010-01-01

Inverted polymer:fullerene solar cells with ZnO and MoO3 transport layers are demonstrated. ZnO films are prepared through spin casting of a zinc acetylacetonate hydrate solution, followed by low temperature annealing under ambient conditions. The performance of solar cells with an inverted

A facile route to inverted polymer solar cells using a precursor based zinc oxide electron transport layer

NARCIS (Netherlands)

de Bruyn, P.; Moet, D. J. D.; Blom, P. W. M.

Inverted polymer: fullerene solar cells with ZnO and MoO(3) transport layers are demonstrated. ZnO films are prepared through spin casting of a zinc acetylacetonate hydrate solution, followed by low temperature annealing under ambient conditions. The performance of solar cells with an inverted

Efficiency-limiting processes in OPV bulk heterojunctions of GeNIDTBT and IDT-based acceptors

KAUST Repository

Al-Saggaf, Sarah M.

2018-05-16

The successful realization of highly efficient bulk heterojunction OPV devices requires the development of organic donor and acceptor materials with tailored properties. Recently, non-fullerene acceptors (NFAs) have emerged as an alternative to the ubiquitously used fullerene derivatives. NFAs showed a rapid increase in efficiencies, now exceeding a PCE of 13%. In my thesis research, I used two small molecule IDT-based acceptors, namely O-IDTBR and O-IDTBCN, in combination with a wide bandgap donor polymer, GeNIDT-BT, as active material in BHJ solar cells and investigated their photophysical characteristics. The polymer combined with O-IDTBR as acceptor achieved a power conversion efficiency of only 2%, which is significantly lower than that obtained for the system of GeNIDT-BT: O-IDTBCN (5.3%). Using nano- to microsecond transient absorption spectroscopy, I investigated both systems and demonstrated that GeNIDT-BT:O-IDTBR exhibits more geminate recombination of interfacial charge-transfer states, leading to lower short circuit currents. Using time-delayed collection field experiments, I studied the field dependence of charge generation and its impact on the device fill factor. Overall, my results provide a qualitative understanding of the efficiency-limiting processes in both systems and their impact on device performance.

Charge Separation in Intermixed Polymer:PC70BM Photovoltaic Blends: Correlating Structural and Photophysical Length Scales as a Function of Blend Composition

KAUST Repository

Utzat, Hendrik

2017-04-24

A key challenge in achieving control over photocurrent generation by bulk-heterojunction organic solar cells is understanding how the morphology of the active layer impacts charge separation and in particular the separation dynamics within molecularly intermixed donor-acceptor domains versus the dynamics between phase-segregated domains. This paper addresses this issue by studying blends and devices of the amorphous silicon-indacenodithiophene polymer SiIDT-DTBT and the acceptor PCBM. By changing the blend composition, we modulate the size and density of the pure and intermixed domains on the nanometer length scale. Laser spectroscopic studies show that these changes in morphology correlate quantitatively with the changes in charge separation dynamics on the nanosecond time scale and with device photocurrent densities. At low fullerene compositions, where only a single, molecularly intermixed polymer-fullerene phase is observed, photoexcitation results in a ∼ 30% charge loss from geminate polaron pair recombination, which is further studied via light intensity experiments showing that the radius of the polaron pairs in the intermixed phase is 3-5 nm. At high fullerene compositions (≥67%), where the intermixed domains are 1-3 nm and the pure fullerene phases reach ∼4 nm, the geminate recombination is suppressed by the reduction of the intermixed phase, making the fullerene domains accessible for electron escape.

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.

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.

Polymer membranes modified by fullerene C-60 for pervaporation of organic mixtures

Czech Academy of Sciences Publication Activity Database

Polotskaya, G. A.; Penkova, A. V.; Pientka, Zbyněk; Toikka, A. M.

2010-01-01

Roč. 14, 1-3 (2010), s. 83-88 ISSN 1944-3994. [PERMEA 2009. Prague, 07.06.2009-11.06.2009] R&D Projects: GA ČR GA104/09/1165 Institutional research plan: CEZ:AV0Z40500505 Keywords : pervaporation * fullerene -containing membranes * poly(phenylene oxide) Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 0.752, year: 2010

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.

Atomic-Layer-Deposited AZO Outperforms ITO in High-Efficiency Polymer Solar Cells

KAUST Repository

Kan, Zhipeng

2018-05-11

Tin-doped indium oxide (ITO) transparent conducting electrodes are widely used across the display industry, and are currently the cornerstone of photovoltaic device developments, taking a substantial share in the manufacturing cost of large-area modules. However, cost and supply considerations are set to limit the extensive use of indium for optoelectronic device applications and, in turn, alternative transparent conducting oxide (TCO) materials are required. In this report, we show that aluminum-doped zinc oxide (AZO) thin films grown by atomic layer deposition (ALD) are sufficiently conductive and transparent to outperform ITO as the cathode in inverted polymer solar cells. Reference polymer solar cells made with atomic-layer-deposited AZO cathodes, PCE10 as the polymer donor and PC71BM as the fullerene acceptor (model systems), reach power conversion efficiencies of ca. 10% (compared to ca. 9% with ITO-coated glass), without compromising other figures of merit. These ALD-grown AZO electrodes are promising for a wide range of optoelectronic device applications relying on TCOs.

Atomic-Layer-Deposited AZO Outperforms ITO in High-Efficiency Polymer Solar Cells

KAUST Repository

Kan, Zhipeng; Wang, Zhenwei; Firdaus, Yuliar; Babics, Maxime; Alshareef, Husam N.; Beaujuge, Pierre

2018-01-01

Tin-doped indium oxide (ITO) transparent conducting electrodes are widely used across the display industry, and are currently the cornerstone of photovoltaic device developments, taking a substantial share in the manufacturing cost of large-area modules. However, cost and supply considerations are set to limit the extensive use of indium for optoelectronic device applications and, in turn, alternative transparent conducting oxide (TCO) materials are required. In this report, we show that aluminum-doped zinc oxide (AZO) thin films grown by atomic layer deposition (ALD) are sufficiently conductive and transparent to outperform ITO as the cathode in inverted polymer solar cells. Reference polymer solar cells made with atomic-layer-deposited AZO cathodes, PCE10 as the polymer donor and PC71BM as the fullerene acceptor (model systems), reach power conversion efficiencies of ca. 10% (compared to ca. 9% with ITO-coated glass), without compromising other figures of merit. These ALD-grown AZO electrodes are promising for a wide range of optoelectronic device applications relying on TCOs.

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

Directory of Open Access Journals (Sweden)

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.

Radiation processing of polymers with high energy electron beams: novel materials and processes

International Nuclear Information System (INIS)

Sarma, K.S.S.; Sabharwal, Sunil

2002-01-01

High-energy ionizing radiation available from electron beam (EB) accelerators has the ability to create extremely reactive species like free radicals or ions at room temperature or even at low temperature in any phase and in a variety of substrates without addition of external additives. This unique advantage of high energy has been utilized in the recent years to produce better quality materials in an environment friendly and cost-effective manner. The availability of high power and reliable EB accelerators has provided new tools to modify the materials and/or processes for a variety of applications. At BARC, a 2 MeV, 20 kW electron beam accelerator has been the nucleus of developing industrial applications of radiation processing in India for last 10 years. The focus has been on developing technologies that are of relevance to Indian socio-economic conditions and also provide economic benefits to the industry. In the areas of polymer processing industry, commercial success has already been achieved while for exploring its applications in the areas of food and agriculture and environment, technology demonstration plants are being set up. The current status of the programme, the new developments and future direction of radiation processing technology shall be presented in this paper. (author)

Monitoring of polymer melt processing

International Nuclear Information System (INIS)

Alig, Ingo; Steinhoff, Bernd; Lellinger, Dirk

2010-01-01

The paper reviews the state-of-the-art of in-line and on-line monitoring during polymer melt processing by compounding, extrusion and injection moulding. Different spectroscopic and scattering techniques as well as conductivity and viscosity measurements are reviewed and compared concerning their potential for different process applications. In addition to information on chemical composition and state of the process, the in situ detection of morphology, which is of specific interest for multiphase polymer systems such as polymer composites and polymer blends, is described in detail. For these systems, the product properties strongly depend on the phase or filler morphology created during processing. Examples for optical (UV/vis, NIR) and ultrasonic attenuation spectra recorded during extrusion are given, which were found to be sensitive to the chemical composition as well as to size and degree of dispersion of micro or nanofillers in the polymer matrix. By small-angle light scattering experiments, process-induced structures were detected in blends of incompatible polymers during compounding. Using conductivity measurements during extrusion, the influence of processing conditions on the electrical conductivity of polymer melts with conductive fillers (carbon black or carbon nanotubes) was monitored. (topical review)

High-performance membrane-electrode assembly with an optimal polytetrafluoroethylene content for high-temperature polymer electrolyte membrane fuel cells