利用第一性原理方法计算了空位和Si(硅)替位掺杂对In(钢)原子在石墨烯上吸附的影响.结果表明:在低覆盖度下,空位比Si替位掺杂更能增强In在石墨烯上的吸附,主要原因在于空位引入更多的悬挂键,加强了In和石墨烯之间相互作用.而对于较高覆盖度,Si替位掺杂却比空位对In吸附在石墨烯上的影响更强.无论是较高覆盖度还是低覆盖度,空位和Si替位掺杂均增强了In在石墨烯上的吸附.
参考文献
| [1] | K. S. Novoselov;D. Jiang;F. Schedin;T. J. Booth;V. V. Khotkevich;S. V. Morozov;A. K. Geim .Two-dimensional atomic crystals[J].Proceedings of the National Academy of Sciences of the United States of America,2005(30):10451-10453. |
| [2] | Morozov SV;Novoselov KS;Schedin F;Jiang D;Firsov AA;Geim AK .Two-dimensional electron and hole gases at the surface of graphite[J].Physical review, B. Condensed matter and materials physics,2005(20):1401-1-1401-4-0. |
| [3] | Slonczewski J;Weiss P .Band structure of graphite[J].Physical Review,1958,109(02):272-279. |
| [4] | Venables J;Spiller G;Hanbucken M .Nucleation and growth of thin films[J].Reports on Progress in Physics,1984,47:399-459. |
| [5] | J.W. Evans;P.A. Thiel;M.C. Bartelt .Morphological evolution during epitaxial thin film growth: Formation of 2D islands and 3D mounds[J].Surface Science Reports,2006(1/2):1-128. |
| [6] | Novoselov K;Geim A;Morozov S et al.Electric field effect in atomically thin carbon films[J].Science,2004,306(5696):666. |
| [7] | Geim AK;Novoselov KS .The rise of graphene[J].Nature materials,2007(3):183-191. |
| [8] | M.I. Katsnelson;K.S. Novoselov .Graphene: New bridge between condensed matter physics and quantum electrodynamics[J].Solid State Communications,2007(1/2):3-13. |
| [9] | Katsnelson M .Grapbene:carbon in two dimensions[J].Materials Today,2007,10(1-2):20-27. |
| [10] | Katsnelson M;Novoselov K;Geim A .Chiral tunnelling and the Klein paradox in graphene[J].Nature Physics,2006,2(09):620-625. |
| [11] | Morozov SV;Novoselov KS;Katsnelson MI;Schedin F;Ponomarenko LA;Jiang D;Geim AK .Strong suppression of weak localization in graphene[J].Physical review letters,2006(1):6801-1-6801-4-0. |
| [12] | Stankovich S;Dikin DA;Dommett GHB;Kohlhaas KM;Zimney EJ;Stach EA;Piner RD;Nguyen ST;Ruoff RS .Graphene-based composite materials[J].Nature,2006(7100):282-286. |
| [13] | D. Pandey;R. Reifenberger;R. Piner .Scanning probe microscopy study of exfoliated oxidized graphene sheets[J].Surface Science: A Journal Devoted to the Physics and Chemistry of Interfaces,2008(9):1607-1613. |
| [14] | Garcia-Sanchez D;van der Zande AM;Paulo AS;Lassagne B;McEuen PL;Bachtold A .Imaging mechanical vibrations in suspended graphene sheets[J].Nano letters,2008(5):1399-1403. |
| [15] | Moser J;Verdaguer A;Jimánez D et al.The environment of graphene probed by electrostatic force microscopy[J].Applied Physics Letters,2008,92:123507. |
| [16] | Novoseiov K;Geim A;Morozov S et al.Two-dimensional gas of massless Dirac fermions in graphene[J].Nature,2005,438(7065):197. |
| [17] | G. Giovannetti;P. A. Khomyakov;G. Brocks;V. M. Karpan;J. van den Brink;P. J. Kelly .Doping Graphene with Metal Contacts[J].Physical review letters,2008(2):201-204. |
| [18] | Chan, KT;Neaton, JB;Cohen, ML .First-principles study of metal adatom adsorption on graphene[J].Physical review. B, Condensed Matter And Materials Physics,2008(23):235430-1-235430-12-0. |
| [19] | Sevincli H;Topsakal M;Durgun E;Ciraci S .Electronic and magnetic properties of 3d transition-metal atom adsorbed graphene and graphene nanoribbons[J].Physical review, B. Condensed matter and materials physics,2008(19):195434-1-195434-7-0. |
| [20] | Ribeiro FJ;Neaton JB;Louie SG;Cohen ML .Mechanism for bias-assisted indium mass transport on carbon nanotube surfaces[J].Physical review, B. Condensed matter and materials physics,2005(7):5302-1-5302-8-0. |
| [21] | Dai XQ;Ju WW;Wang GT;Xie MH .First-principles study of indium on silicon (100) - the structure, defects and interdiffusion[J].Surface Science: A Journal Devoted to the Physics and Chemistry of Interfaces,2004(1):77-83. |
| [22] | Hohenberg P;Kohn W .Inhomogencous electron gas[J].Physical Review,1964,136(3B):B864-B871. |
| [23] | Kohn W;Sham L .Self-consistent equations including exchange and correlation effects[J].Physical Review,1965,140(4A):A1133-A1138. |
| [24] | Perdew J;Burke K;Emzerhof M .Generalized gradient approximation made simple[J].Physical Review Letters,1996,77(18):3865-3868. |
| [25] | Carlsson JM;Scheffler M .Structural, electronic, and chemical properties of nanoporous carbon[J].Physical review letters,2006(4):6806-1-6806-4-0. |
| [26] | Kittel C.Introduction to Solid State Physics[M].New York:John Wiley and Sons,Inc,2005:19-20. |
| [27] | Seyller T;Emtsev KV;Gao K;Speck F;Ley L;Tadich A;Broekman L;Riley JD;Leckey RCG;Rader O .Structural and electronic properties of graphite layers grown on SiC(0001)[J].Surface Science: A Journal Devoted to the Physics and Chemistry of Interfaces,2006(18):3906-3911. |
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