Results 51 to 60 of about 84,617 (287)

Step-Wise Computational Synthesis of Fullerene C60 derivatives. 1.Fluorinated Fullerenes C60F2k

, 2009
The reactions of fullerene C60 with atomic fluorine have been studied by unrestricted broken spin-symmetry Hartree-Fock (UBS HF) approach implemented in semiempirical codes based on AM1 technique. The calculations were focused on a sequential addition of
A. A. Gakh, A. A. Gakh, A. A. Gakh, A. A. Gakh, A. A. Popov, A. Szabo, B. W. Clare, B. W. Clare, B. W. Clare, B. W. Clare, B. W. Clare, D. A. Zhogolev, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. F. Sheka, E. R. Davidson, F. N. Tomilin, H. Zabrodsky, I. Kaplan, I. S. Neretin, J. A. Pople, J. H. Holloway, J. Hachmann, K. B. Wiberg, K. Balasubramania, K. Hedberg, K. Takatsuka, L. G. Bulusheva, L. Hedberg, L. Noodleman, N. Matsuzawa, O. V. Boltalina, O. V. Boltalina, P. J. Krusic, P. K. Berzigiyarov, R. J. Papoular, R. L. Jaffe, R. Mitsumoto, R. Taylor, R. Taylor, S. Dutta, S. G. Semenov, S. Grimme, S. I. Troyanov, S. Kawasaki, U. Barth von, V. N. Staroverov   +54 more
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Trifluoromethoxylated Electron Acceptor Enabling Ternary Organic Solar Cells with over 20% Power Conversion Efficiency

Advanced Functional Materials, EarlyView.
ABSTRACT In this work, we introduce a trifluoromethoxy (OCF3) group as a pseudo‐halogen terminal group design for non‐fullerene acceptors, which combines strong inductive electron‐withdrawing ability with moderate resonance donation. The as‐synthesized BTP‐OCF3, when benchmarked against its methoxy analogue BTP‐OCH3, demonstrates narrowed bandgap ...
Chunliang Li, Anhai Liang, Shuwei Qiu, Gavin Ho Ming Ng, Aleksandr Sergeev, Joshua Yuk Lin Lai, Bosen Zou, Xianghao Zeng, Jicheng Yi, Hongxiang Li, Junpo Guo, Wei Liu, Jia Yao, Kam Sing Wong, Zhipeng Kan, Sai Ho Pun, He Yan   +16 more
wiley   +1 more source

Carbon clusters near the crossover to fullerene stability [PDF]

, 1999
The thermodynamic stability of structural isomers of $\mathrm{C}_{24}$, $\mathrm{C}_{26}$, $\mathrm{C}_{28}$ and $\mathrm{C}_{32}$, including fullerenes, is studied using density functional and quantum Monte Carlo methods.
A.A. Shvartsburg, A.D. Becke, A.D. Becke, A.J. Williamson, B.L. Hammond, B.L. Hammond, C. Lee, C. Piscotti, C.J. Umrigar, D. Ceperley, G. Rajagopal, G. von Helden, G.E. Scuseria, H. Handschuh, H. Kietzmann, H.W. Kroto, H.W. Kroto, J. Cioslowski, J. Kim, J.C. Grossman, J.C. Grossman, J.M.L. Martin, J.M.L. Martin, J.M.L. Martin, J.R. Heath, K. Raghavachari, L. Mitáš, M. D. Towler, M.J. Frisch, M.M. Hurley, N. Breda, N. Troullier, P. R. C. Kent, P.R.C. Kent, P.W. Fowler, R. Dovesi, R. J. Needs, R.B. Murphy, R.O. Jones, T. Guo, T. Torelli, T.H. Dunning, Jr.   +41 more
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In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon, Han‐Gyun Lim, Jinyoung Kim, Gyu Min Kim, Seojun Lee, Jun Ryu, SungWon Cho, Jincheol Kim, Hyosung Choi, Jung Sang Cho, Jongsung Park, Dong‐Won Kang   +11 more
wiley   +1 more source

Novel preparation method of fullerene and its ability to detect H2S and NO2 gases

Results in Chemistry, 2023
In this study, a new system for fullerene preparation was designed based on the incomplete combustion of liquid asphalt. Transmission electron microscopy, field emission scanning electron microscopy and energy-dispersive X-ray (EDX) techniques were used ...
Mohammed Faiad Naief, Samar Naser Mohammed, Yasser Naji Ahmed, Ahmed Mishaal Mohammed, Sahar Naser Mohammed, Sura Naser Mohammed   +5 more
doaj   +1 more source

Furan‐Substituted Phosphine‐Oxide as an Efficient Interfacial Modifier for Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
We report phosphine‐oxide interlayers for wide‐bandgap perovskite solar cells, in which tuned P = O Lewis basicity enables selective passivation of buried NiOx/perovskite interfaces and introduces interfacial dipoles that strengthen the built‐in field.
JeeHee Hong, Juan Anthony Prayogo, Soobin Heo, Jae Sung Yun, Dong Ryeol Whang, Dong Wook Chang, Hui Joon Park   +6 more
wiley   +1 more source

Nano tracks in fullerene film by dense electronic excitations

, 2014
In the present work, we investigate the formation of nano tracks by cluster and mono-atomic ion beams in the fullerene (C60) thin films by High Resolution Transmission Electron Microscopy (HRTEM).
Avasthi, D. K., Ghatak, J., Kumar, A., Kumar, P., Prakash, R., Satyam, P. V.   +5 more
core   +1 more source

Charge transport through a single molecule of trans-1-bis-diazofluorene [60]fullerene [PDF]

, 2017
Fullerenes have attracted interest for their possible applications in various electronic, biological, and optoelectronic devices. However, for efficient use in such devices, a suitable anchoring group has to be employed that forms well-defined and stable
Aravena, Daniel, Dulic, Diana, Echegoyen, Luis, Gutiérrez-Cerón, Cristian A., Labra-Muñoz, Jacqueline, Liu, Shuming, Soler, Monica, Stefani, Davide, Suarez, Catalina, van der Zant, Herre S. J.   +9 more
core   +3 more sources

Selenium‐Incorporated Polymerized Nonfullerene Acceptors/SWCNT Composites with Polymer‐Assisted n‐Doping for High‐Performance Organic Thermoelectrics

Advanced Functional Materials, EarlyView.
Selenium‐incorporated polymerized nonfullerene acceptor PCB2Se forms a strong supramolecular complex with SWCNTs, enabling a record‐high zT of 0.29. Sequential N‐DMBI doping, mediated through a polymer‐assisted electron‐transfer pathway, successfully converts the PCB2Se/SWCNT composite into an efficient n‐type material with an impressive power factor ...
Chi‐Chun Tseng, Che‐An Chou, Chi Chang, Li‐Lun Yeh, Chien‐Yi Ku, Jhih‐Min Lin, Shih‐Huang Tung, Cheng‐Liang Liu, Yen‐Ju Cheng   +8 more
wiley   +1 more source

Fullerenes with the maximum Clar number [PDF]

, 2014
The Clar number of a fullerene is the maximum number of independent resonant hexagons in the fullerene. It is known that the Clar number of a fullerene with n vertices is bounded above by [n/6]-2.
Gao, Yang, Li, Qiuli, Zhang, Heping
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