摘要: The structure and energetics the chemistry of graphene on SiO2 surface are studied from first-principles. It is found that energetic preference for layer to bind specific sites O-terminated differs substantially Si-terminated surface. Regardless location binding a particular surface, electrons transfer dielectric its quantity higher In addition, electron strongly depends type termination but independent site.
scitation.org
harvard.edu
aip.org
sci-hub.se 参考文章(18)
R. S. Mulliken, Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I The Journal of Chemical Physics. ,vol. 23, pp. 1833- 1840 ,(1955) , 10.1063/1.1740588
Jilin Xia, Fang Chen, Jinghong Li, Nongjian Tao, Measurement of the quantum capacitance of graphene. Nature Nanotechnology. ,vol. 4, pp. 505- 509 ,(2009) , 10.1038/NNANO.2009.177
M. S. Fuhrer, E. D. Williams, Jian-Hao Chen, W. G. Cullen, C. Jang, Defect scattering in graphene. Physical Review Letters. ,vol. 102, pp. 236805- ,(2009) , 10.1103/PHYSREVLETT.102.236805
Norman Troullier, José Luís Martins, Efficient pseudopotentials for plane-wave calculations Physical Review B. ,vol. 43, pp. 1993- 2006 ,(1991) , 10.1103/PHYSREVB.43.1993
Fang Chen, Jilin Xia, David K. Ferry, Nongjian Tao, Dielectric Screening Enhanced Performance in Graphene FET Nano Letters. ,vol. 9, pp. 2571- 2574 ,(2009) , 10.1021/NL900725U
J. P. Perdew, Alex Zunger, Self-interaction correction to density-functional approximations for many-electron systems Physical Review B. ,vol. 23, pp. 5048- 5079 ,(1981) , 10.1103/PHYSREVB.23.5048
Jannik C. Meyer, A. K. Geim, M. I. Katsnelson, K. S. Novoselov, T. J. Booth, S. Roth, The structure of suspended graphene sheets Nature. ,vol. 446, pp. 60- 63 ,(2007) , 10.1038/NATURE05545
Christian Ertler, Sergej Konschuh, Martin Gmitra, Jaroslav Fabian, Electron spin relaxation in graphene: The role of the substrate Physical Review B. ,vol. 80, pp. 041405- ,(2009) , 10.1103/PHYSREVB.80.041405
A. K. Geim, Graphene: Status and Prospects Science. ,vol. 324, pp. 1530- 1534 ,(2009) , 10.1126/SCIENCE.1158877
E. Stolyarova, D. Stolyarov, K. Bolotin, S. Ryu, L. Liu, K. T. Rim, M. Klima, M. Hybertsen, I. Pogorelsky, I. Pavlishin, K. Kusche, J. Hone, P. Kim, H. L. Stormer, V. Yakimenko, G. Flynn, Observation of Graphene Bubbles and Effective Mass Transport under Graphene Films Nano Letters. ,vol. 9, pp. 332- 337 ,(2009) , 10.1021/NL803087X