Charge Transport in Highly Heterogeneous Natural Carbonaceous Materials

作者: Huashan Li , Taishan Zhu , Nicola Ferralis , Jeffrey C. Grossman

DOI: 10.1002/ADFM.201904283

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参考文章(48)
Tim Petersen, Irene Yarovsky, Ian Snook, Dougal G. McCulloch, George Opletal, Microstructure of an industrial char by diffraction techniques and Reverse Monte Carlo modelling Carbon. ,vol. 42, pp. 2457- 2469 ,(2004) , 10.1016/J.CARBON.2004.04.037
Fidel Castro-Marcano, Amar M. Kamat, Michael F. Russo, Adri C.T. van Duin, Jonathan P. Mathews, Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field Combustion and Flame. ,vol. 159, pp. 1272- 1285 ,(2012) , 10.1016/J.COMBUSTFLAME.2011.10.022
Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard, ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation Journal of Physical Chemistry A. ,vol. 112, pp. 1040- 1053 ,(2008) , 10.1021/JP709896W
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Ruquan Ye, Changsheng Xiang, Jian Lin, Zhiwei Peng, Kewei Huang, Zheng Yan, Nathan P Cook, Errol LG Samuel, Chih-Chau Hwang, Gedeng Ruan, Gabriel Ceriotti, Abdul-Rahman O Raji, Angel A Martí, James M Tour, None, Coal as an abundant source of graphene quantum dots Nature Communications. ,vol. 4, pp. 2943- ,(2013) , 10.1038/NCOMMS3943
Zhigang Shuai, Hua Geng, Wei Xu, Yi Liao, Jean-Marie André, From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation Chemical Society Reviews. ,vol. 43, pp. 2662- 2679 ,(2014) , 10.1039/C3CS60319A
P. M. Borsenberger, E. H. Magin, M. Der Van Auweraer, F. C. De Schryver, The role of disorder on charge transport in molecularly doped polymers and related materials Physica Status Solidi (a). ,vol. 140, pp. 9- 47 ,(1993) , 10.1002/PSSA.2211400102
Nir Tessler, Yevgeni Preezant, Noam Rappaport, Yohai Roichman, Charge Transport in Disordered Organic Materials and Its Relevance to Thin‐Film Devices: A Tutorial Review Advanced Materials. ,vol. 21, pp. 2741- 2761 ,(2009) , 10.1002/ADMA.200803541
Javier Junquera, Óscar Paz, Daniel Sánchez-Portal, Emilio Artacho, Numerical atomic orbitals for linear-scaling calculations Physical Review B. ,vol. 64, pp. 235111- ,(2001) , 10.1103/PHYSREVB.64.235111
Steve Plimpton, Fast parallel algorithms for short-range molecular dynamics Journal of Computational Physics. ,vol. 117, pp. 1- 19 ,(1995) , 10.1006/JCPH.1995.1039