[1] Cao N, Su J, Luo W, Cheng G 2014 Int. J. Hydrogen Energ. 39 9726
[2] He L, Huang Y, Liu X Y, Li L, Wang A, Wang X, Mou C Y, Zhang T 2014 Appl. Catal. B: Environ. 147 779
[3] Serov A, Padilla M, Roy A J, Atanassov P, Sakamoto T, Asazawa K, Tanaka H 2014 Angew. Chem. Int. Ed. 53 10336
[4] Singh S K, Zhang X B, Xu Q 2009 J. Am. Chem. Soc. 131 9894
[5] Singh S K, Xu Q 2009 J. Am. Chem. Soc. 131 18032
[6] Singh A K, Yadav M, Aranishi K, Xu Q 2012 Int. J. Hydrogen Energ. 37 18915
[7] Singh S K, Lizuka Y, Xu Q 2011 Int. J. Hydrogen Energ. 36 11794
[8] Singh S K, Xu Q 2010 Chem. Commun. 46 6545
[9] Singh S K, Singh A K, Aranishi K, Xu Q 2011 J. Am. Chem. Soc. 133 19638
[10] Manukyan K V, Cross A, Rouvimov S, Miller J, Mukasyan A S, Wolf E E 2014 Appl. Catal. A: Gen. 476 47
[11] Chen J H, Liu E K, Li Y, Qi X, Liu G D, Luo H Z, Wang W H, Wu G H 2015 Acta Phys. Sin. 64 077104 (in Chinese) [陈家华, 刘恩克, 李勇, 祁欣, 刘国栋, 罗鸿志, 王文洪, 吴光恒 2015 物理学报 64 077104]
[12] Liao J, Xie Z Q, Yuan J M, Huang Y P, Mao Y L 2014 Acta Phys. Sin. 63 163101 (in Chinese) [廖建, 谢召起, 袁健美, 黄艳平, 毛宇亮 2014 物理学报 63 163101]
[13] Li L, Xu J, Xu L F, Lian C S, Li J J, Wang J T, Gu C Z 2015 Chin. Phys. B 24 056803
[14] Daff T D, Costa D, Lisiecki I, de Leeuw N H 2009 J. Phys. Chem. C 113 15714
[15] Daff T D, de Leeuw N H 2012 J. Mater. Chem. 22 23210
[16] Tafreshi S S, Roldan A, Dzade N Y, de Leeuw N H 2014 Surf. Sci. 622 1
[17] Tafreshi S S, Roldan A, de Leeuw N H 2014 J. Phys. Chem. C 118 26103
[18] Zhang P X, Wang Y G, Huang Y Q, Zhang T, Wu G S, Li J 2011 Catal. Today 165 80
[19] Agusta M K, Kasai H 2012 Surf. Sci. 606 766
[20] McKay H L, Jenkins S J, Wales D J 2011 J. Phys. Chem. C 115 17812
[21] Deng Z, Lu X, Wen Z, Wei S, Liu Y, Fu D, Zhao L, Guo W 2013 Phys. Chem. Chem. Phys. 15 16172
[22] Zhu J P, Ma L, Zhou S M, Miao J, Jiang Y 2015 Chin. Phys. B 24 017101
[23] He Y B, Jia J F, Wu H S 2015 Appl. Surf. Sci. 339 36
[24] Pereira A O, Miranda C R 2014 Appl. Surf. Sci. 288 564
[25] Carrasco J, Liu W, Michaelides A, Tkatchenko A 2014 J. Chem. Phys. 140 084704
[26] Atodiresei N, Caciuc V, Franke J H, Blgel S 2008 Phys. Rev. B 78 045411
[27] Blöchl P E 1994 Phys. Rev. B 50 17953
[28] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[29] Kresse G, Furthmller J 1996 Phys. Rev. B 54 11169
[30] Kresse G, Furthmller J 1996 Comp. Mater. Sci 6 15
[31] Kresse G, Hafner J 1993 Phys. Rev. B 47 558
[32] Kresse G, Hafner J 1994 Phys. Rev. B 49 14251
[33] Perdew J P, Burke K, Ernzerhof M 1997 Phys. Rev. Lett. 78 1396
[34] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[35] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[36] Methfessel M, Paxton A T 1989 Phys. Rev. B 40 3616
[37] Štich I, Car R, Parrinello M, Baroni S 1989 Phys. Rev. B 39 4997
[38] Momma K, Izumi F 2011 J. Appl. Crystallogr. 44 1272
[39] Grimme S, Ehrlich S, Goerigk L 2011 J. Comput. Chem. 32 1456
[40] Grimme S, Antony J, Ehrlich S, Krieg H 2010 J. Chem. Phys. 132 154104
[41] Tereshchuk P, Da Silva J L F 2012 J. Phys. Chem. C 116 24695
[42] He Y B, Jia J F, Wu H S 2015 J. Phys. Chem. C 119 8763
[43] Albright T A, Burdett J K, Whangbo M H 2013 Orbital Interactions in Chemistry (2nd Ed.) (New York: John Wiley & Sons, Inc.)
[44] Kitchin J R, Nørskov J K, Barteau M A, Chen J G 2004 J. Chem. Phys. 120 10240
[45] Burdett J K, McCormick T A 1998 J. Phys. Chem. A 102 6366
[46] Becke A D, Edgecombe K E 1990 J. Chem. Phys. 92 5397