First-principles prediction of charge mobility in carbon and organic nanomaterials
作者： Jinyang Xi , Mengqiu Long , Ling Tang , Dong Wang , Zhigang Shuai
DOI: 10.1039/C2NR30585B
关键词:
摘要: We summarize our recent progresses in developing first-principles methods for predicting the intrinsic charge mobility in carbon and organic nanomaterials, within the framework of …
rsc.org
harvard.edu
scilit.net
researchgate.net 参考文章(182)
A. R. Hutson, Piezoelectricity and Conductivity in ZnO and CdS Physical Review Letters. ,vol. 4, pp. 505- 507 ,(1960) , 10.1103/PHYSREVLETT.4.505
P. Hohenberg, W. Kohn, Inhomogeneous Electron Gas Physical Review. ,vol. 136, pp. 864- 871 ,(1964) , 10.1103/PHYSREV.136.B864
Linjun Wang, David Beljonne, Liping Chen, Qiang Shi, Mixed quantum-classical simulations of charge transport in organic materials: Numerical benchmark of the Su-Schrieffer-Heeger model Journal of Chemical Physics. ,vol. 134, pp. 244116- 244116 ,(2011) , 10.1063/1.3604561
D. Chattopadhyay, H. J. Queisser, Electron scattering by ionized impurities in semiconductors Reviews of Modern Physics. ,vol. 53, pp. 745- 768 ,(1981) , 10.1103/REVMODPHYS.53.745
Sylvain Latil, Luc Henrard, Charge Carriers in Few-Layer Graphene Films Physical Review Letters. ,vol. 97, pp. 036803- ,(2006) , 10.1103/PHYSREVLETT.97.036803
Hendrik J. Monkhorst, James D. Pack, Special points for Brillouin-zone integrations Physical Review B. ,vol. 13, pp. 5188- 5192 ,(1976) , 10.1103/PHYSREVB.13.5188
YC Cheng, RJ Silbey, Demetrio A da Silva Filho, J Ph Calbert, Jerome Cornil, Jean-Luc Brédas, Three-dimensional band structure and bandlike mobility in oligoacene single crystals: A theoretical investigation Journal of Chemical Physics. ,vol. 118, pp. 3764- 3774 ,(2003) , 10.1063/1.1539090
V. M. Kenkre, John D. Andersen, D. H. Dunlap, C. B. Duke, Unified theory of the mobilities of photoinjected electrons in naphthalene Physical Review Letters. ,vol. 62, pp. 1165- 1168 ,(1989) , 10.1103/PHYSREVLETT.62.1165
R S Shishir, D K Ferry, Intrinsic mobility in graphene. Journal of Physics: Condensed Matter. ,vol. 21, pp. 232204- 232204 ,(2009) , 10.1088/0953-8984/21/23/232204
O. D. Restrepo, K. Varga, S. T. Pantelides, First-principles calculations of electron mobilities in silicon: Phonon and Coulomb scattering Applied Physics Letters. ,vol. 94, pp. 212103- ,(2009) , 10.1063/1.3147189