Gas adsorption on MoS2 monolayer from first-principles calculations

Chemical Physics Letters

Volumn 595-596, Issue , 2014, Pages 35-42

  Zhao, Shijun ^a   Xue, Jianming ^a   Kang, Wei ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84894466980     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.01.043     Document Type: Article

References (46)

1. K.S. Novoselov, D. Jiang, F. Schedin, T.J. Booth, V.V. Khotkevich, S.V. Morozov, and A.K. Geim Proc. Natl. Acad. Sci. USA 102 2005 10451
2. C. Lee, Q. Li, W. Kalb, X.-Z. Liu, H. Berger, R.W. Carpick, and J. Hone Science 328 2010 76
3. L. Ci et al. Nat. Mater. 9 2010 430
4. S.S. Hong et al. Nano Lett. 10 2010 3118
5. J.N. Coleman et al. Science 331 2011 568
6. Q.H. Wang, K. Kalantar-Zadeh, A. Kis, J.N. Coleman, and M.S. Strano Nat. Nano 7 2012 699
7. R.A. Gordon, D. Yang, E.D. Crozier, D.T. Jiang, and R.F. Frindt Phys. Rev. B 65 2002 125407
8. A. Radenovic, B. Radisavljevic, V. Giacometti, and A. Kis Nat. Nano 6 2011 147
9. A. Splendiani et al. Nano Lett. 10 2010 1271
10. K.F. Mak, C. Lee, J. Hone, J. Shan, and T.F. Heinz Phys. Rev. Lett. 105 2010 136805
11. B.K. Miremadi, and S.R. Morrison J. Catal. 103 1987 334
12. F. Cesano et al. Sci. Technol. 1 2011 123
13. H. Li et al. Small 8 2012 63
14. Q. He, Z. Zeng, Z. Yin, H. Li, S. Wu, X. Huang, and H. Zhang Small 8 2012 2994
15. F. Schedin, A.K. Geim, S.V. Morozov, E.W. Hill, P. Blake, M.I. Katsnelson, and K.S. Novoselov Nat. Mater. 6 2007 652
16. C. Ataca, and S. Ciraci J. Phys. Chem. C 115 2011 13303
17. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864
18. P.E. Blöchl Phys. Rev. B 50 1994 17953
19. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
20. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
21. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
22. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
23. S. Grimme J. Comput. Chem. 27 2006 1787
24. J. Klimeš, D.R. Bowler, and A. Michaelides Phys. Rev. B 83 2011 195131
25. M. Dion, H. Rydberg, E. Schröder, D.C. Langreth, and B.I. Lundqvist Phys. Rev. Lett. 92 2004 246401
26. S. Grimme, J. Antony, S. Ehrlich, and H. Krieg J. Chem. Phys. 132 2010 154104
27. L.A. Burns, Á.V. Mayagoitia, B.G. Sumpter, and C.D. Sherrill J. Chem. Phys. 134 2011 084107
28. Y. Zhang, and W. Yang Phys. Rev. Lett. 80 1998 890
29. J. Klimeš, R.D. Bowler, and A. Michaelides J. Phys.: Condens. Matter 22 2010 022201
30. J. Carrasco, B. Santra, J. Klimeš, and A. Michaelides Phys. Rev. Lett. 106 2011 026101
31. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
32. L. Liang, and V. Meunier Phys. Rev. B 86 2012 195404
33. W. Liu, J. Carrasco, B. Santra, A. Michaelides, M. Scheffler, and A. Tkatchenko Phys. Rev. B 86 2012 245405
34. M.K. Rana, H.S. Koh, J. Hwang, and D.J. Siegel J. Phys. Chem. C 116 2012 16957
35. A. Kumar, and P.K. Ahluwalia Eur. Phys. J. B 85 2012 1
36. J.A. Wilson, and A.D. Yoffe Adv. Phys. 18 1969 193
37. D. Yang, S.J. Sandoval, W.M.R. Divigalpitiya, J.C. Irwin, and R.F. Frindt Phys. Rev. B 43 1991 12053
38. J. Guan, P. Duffy, J.T. Carter, D.P. Chong, K.C. Casida, M.E. Casida, and M. Wrinn J. Chem. Phys. 98 1993 4753
39. D.R. Lide CRC Handbook of Chemistry and Physics 1988 CRC Press
40. O. Leenaerts, B. Partoens, and F.M. Peeters Phys. Rev. B 77 2008 125416
41. T.O. Wehling, K.S. Novoselov, S.V. Morozov, E.E. Vdovin, M.I. Katsnelson, A.K. Geim, and A.I. Lichtenstein Nano Lett. 8 2007 173
42. P.G. Moses, J.J. Mortensen, B.I. Lundqvist, and J.K. Norskov J. Chem. Phys. 130 2009 104709
43. D.J. Late et al. ACS Nano 7 2013 4879
44. G. Henkelman, A. Arnaldsson, and H. Jónsson Comput. Mater. Sci. 36 2006 354
45. E. Sanville, S.D. Kenny, R. Smith, and G. Henkelman J. Comput. Chem. 28 2007 899
46. J. Dai, J. Yuan, and P. Giannozzi Appl. Phys. Lett. 95 2009 232105