First principles study of the physisorption of hydrogen molecule on graphene and carbon nanotube surfaces adhered by Pt atom

Computational Materials Science - Tập 49 - Trang S15-S20 - 2010
Tien Lam Pham1, Phan Viet Dung1, Ayumu Sugiyama1, Nguyen Dinh Duc2, Tatsuya Shimoda1,3, Akihiko Fujiwara1, Dam Hieu Chi1,2,3
1Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292, Japan
2Vietnam National University, 144 Xuan Thuy, Cau Giay, Hanoi, Vietnam
3ERATO Shimoda Nano-Liquid Process Project, Japan Science and Technology Agency, 2-5-3-Asahidai, Nomi, Ishikawa 923-1211, Japan

Tài liệu tham khảo

Zhang, 2003 Wieckowski, 2003 Frisch, 2003 Dicks, 2006, Power Sour., 156, 128, 10.1016/j.jpowsour.2006.02.054 Arellano, 2000, Chem. Phys., 112, 8114 Arellano, 2002, Chem. Phys., 117, 2281 Costamagna, 2001, Power Sour., 202, 242, 10.1016/S0378-7753(01)00807-2 Cuong, 2009, Phys. Rev. B, 79, 235417, 10.1103/PhysRevB.79.235417 Dam, 2009, Phys. Rev. B, 79, 115426, 10.1103/PhysRevB.79.115426 Delley, 2000, Chem. Phys., 113, 7756 Delley, 1990, Chem. Phys., 92, 508 Gangeri, 2006, Inorg. Chim. Acta, 359, 4828, 10.1016/j.ica.2006.07.030 Han, 2004, Carbon, 42, 2169, 10.1016/j.carbon.2004.04.025 Henwood, 2007, Phys. Rev. B, 75, 245413, 10.1103/PhysRevB.75.245413 Hohenberg, 1964, Phys. Rev., 136, 5188, 10.1103/PhysRev.136.B864 Kim, 2006, Chem. Int. Ed., 45, 407, 10.1002/anie.200501792 Kohn, 1965, Phys. Rev., 140, A1133, 10.1103/PhysRev.140.A1133 Monkhorst, 1976, Phys. Rev. B, 113, 5188, 10.1103/PhysRevB.13.5188 Okamoto, 2001, Phys. Chem. B, 105, 3470, 10.1021/jp003435h Onoe, 2007, Catal. Commun., 8, 701, 10.1016/j.catcom.2006.08.018 Vosko, 1980, Can. J. Phys., 58, 1200, 10.1139/p80-159 Wu, 2005, Electrochem. Commun., 7, 1237, 10.1016/j.elecom.2005.07.015