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Density functional calculations are used to investigate the mechanism of the distinctly different behaviors of Pd and Pt coating on graphene. Geometric and electronic structural analysis indicates that the electrons on the dz2 orbital of Pd may transfer to the dxz+dyz orbital of Pd by the aid of the up electrons of the graphene. This charge-transfer mechanism enhances the interactions between the Pd coating and the graphene substrate, driving the Pd coating to grow on the graphene, while Pt does not have this behavior. Metal self-assembly hinders Pt atoms to cover the graphene.
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Keywords:
- graphene /
- Pd cluster /
- Pt cluster /
- density functional calculations
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[64] [65] Kresse G, Furthmuller J 1996 Phys. Rev. B 54 11169
[66] [67] Kresse G, Hafner J 1993 Phys. Rev. B 48 13115
[68] Blochl P E 1994 Phys. Rev. B 50 17953
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[72] Ceperley D M, Alder B J 1980 Phys. Rev. Lett. 45 566
[73] [74] Perdew J P, Wang Y 1992 Phys. Rev. B 45 13244
[75] -
[1] Geim A K, Novoselov K S 2007 Nat. Mater. 6 183
[2] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firsov A A 2004 Science 306 666
[3] [4] [5] Wallace P R 1947 Phys. Rev. 71 622
[6] Nair R R, Blake P, Grigorenko A N, Novoselov K S, Booth T J, Stauber T, Peres N M R, Geim A K 2008 Science 320 1308
[7] [8] [9] Bunch J S, Zande A M, Verbridge S S, Frank I W, Tanenbaum D M, Parpia J M, Craighead H G, McEuen P L 2007 Science 315 490
[10] [11] Trau M, Sankaran S, Saville D A, Aksay I S 1995 Nature 374 437
[12] Murray C B, Kagan C R, Bawendi M G 1995 Science 270 1335
[13] [14] [15] Bromann K, Flix C, Brune H, Harbich W, Monot R, Buttet J, Kern K 1996 Science 274 956
[16] [17] Liu T D, Chen J R, Hong W P, Shao G F, Wang T N, Zheng J W, Wen Y H 2013 Acta Phys. Sin-Ch. Ed 62 193601
[18] Yang J, Wang N Y, Zhu D J, Chen X, Deng K M, Xiao C Y 2009 Acta Phys. Sin-Ch. Ed 58 3112
[19] [20] [21] Feng W, Zhao A D 2012 Acta Phys. Sin-Ch. Ed 61 173601
[22] [23] Chen M S, Goodman D W 2004 Science 306 252
[24] Planeix J M, Coustel N, Coq B, Brotons V, Kumbhar P S, Dutartre R, Geneste P, Bernier P, Ajayan P M 1994 J. Am. Chem. Soc. 116 7935
[25] [26] [27] Zhu J, Jia Y, Li M S, Lu M H, Zhu J J 2013 Ind. Eng. Chem. Res. 52 1224
[28] Fampiou I, Ramasubramaniam A 2013 J. Phys. Chem. C 117 19927
[29] [30] Joo S H, Choi S J, Oh I, Kwak J, Liu Z, Terasaki O, Ryoo R 2001 Nature 412 169
[31] [32] Lee K J, Min S H, Jang J 2010 Small 6 2378
[33] [34] [35] Ren X P, Zhou B, Li L T, Wang C L 2013 Chin. Phys. B 22 016801
[36] Zhang Z H, He M, Duan X F 2009 Chin. Phys. Lett. 26 066104
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[40] Liu N, Bai Y L, Xia M F, Ke F J 2005 Chin. Phys. Lett. 22 2012
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[43] [44] [45] Li J-L, Kudin K N, McAllister M J, Prud'homme R K, Aksay I A, Car R 2006 Phys. Rev. Lett. 96 176101
[46] [47] Li F, Kan E J, Lu R F, Xiao C Y, Deng K M, Su H B 2012 Nanoscale 4 1254
[48] Che G, Lakshimi B B, Fisher E R, Martin C R 1998 Nature 393 346
[49] [50] [51] Wang C, Waje M, Wang X, Tang J M, Haddon R C, Yan Y 2004 Nano Lett. 4 345
[52] Javey A, Guo J, Paulsson M, Wang Q, Mann D, Lundstrom M, Dai H J 2004 Phys. Rev. Lett. 92 106804
[53] [54] [55] Mann D, Javey A, Kong J, Wang Q, Dai H J 2003 Nano Lett. 3 1541
[56] [57] Javey A, Guo J, Wang Q, Lundstrom M, Dai H J 2003 Nature 424 654
[58] Wang Q J, Che J G 2009 Phys. Rev. Lett. 103 066802
[59] [60] [61] Ding C G, Yang J L, Li Q X 2001 Acta Phys. Sin. 50 1907 (in Chinese)[丁长庚, 杨金龙, 李群祥 2001 物理学报 50 1907]
[62] [63] Li Q X, Yang J L, Li Z Y, Hu J G, Zhu Q S 2001 Acta Phys. Sin. 50 1877 (in Chinese)[李群祥, 杨金龙, 李震宇, 侯建国, 朱清时 2001 物理学报 50 1877]
[64] [65] Kresse G, Furthmuller J 1996 Phys. Rev. B 54 11169
[66] [67] Kresse G, Hafner J 1993 Phys. Rev. B 48 13115
[68] Blochl P E 1994 Phys. Rev. B 50 17953
[69] [70] [71] Kresse G, Furthmuller J 1996 Comp. Mater. Sci. 6 15
[72] Ceperley D M, Alder B J 1980 Phys. Rev. Lett. 45 566
[73] [74] Perdew J P, Wang Y 1992 Phys. Rev. B 45 13244
[75]
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