SCOPUS 정보 검색 플랫폼

Surface Science

Volumn 625, Issue , 2014, Pages 64-68

A DF-vdW study of the CH4 adsorption on different Ni surfaces

(5) González, Silvia a,b Viñes, Francesc c García, Juan Fernando a Erazo, Yody a Illas, Francesc c

a UNIVERSIDAD TÉCNICA PARTICULAR DE LOJA (Ecuador)

b GETNano Grupo Ecuatoriano de Estudios Experimentales y Teóricos de Nanosistemas (Ecuador)

c UNIVERSITY OF BARCELONA (Spain)

Author keywords

DFT; Dispersion; Methane; Ni

Indexed keywords

ADSORPTION; DISPERSION (WAVES); DISPERSIONS; METHANE; VAN DER WAALS FORCES;

ADSORPTION ENERGIES; DENSITY FUNCTIONALS; DFT; METHANE ADSORPTION; NI SURFACE; SUPERCELL APPROACH; TOTAL ENERGY; VAN DER WAALS;

NICKEL;

EID: 84899761527 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/j.susc.2014.03.012 Document Type: Article

Times cited : (30)

References (56)

1
- 63549120086
- Royal Society of Chemistry Cambridge, U. K.
- D.A.J. Rand, and R.M. Dell Hydrogen Energy: Challenges and Prospects 2008 Royal Society of Chemistry Cambridge, U. K.
- (2008) Hydrogen Energy: Challenges and Prospects
- Rand, D.A.J.¹ Dell, R.M.²

2
- 41849093384
- G.W. Crabtree, and M.S. Dresselhaus MRS Bull. 33 2008 421
- (2008) MRS Bull. , vol.33 , pp. 421
- Crabtree, G.W.¹ Dresselhaus, M.S.²

3
- 68949122313
- L. Schlapbach Nature 460 2009 809
- (2009) Nature , vol.460 , pp. 809
- Schlapbach, L.¹

4
- 0003877758
- 90th ed. CRC Press, Taylor & Francis Group Boca Raton, Florida, USA
- D.R. Lide CRC Handbook of Chemistry and Physics 90th ed. 2009 CRC Press, Taylor & Francis Group Boca Raton, Florida, USA
- (2009) CRC Handbook of Chemistry and Physics
- Lide, D.R.¹

5
- 33845625197
- C.N. Stewart J. Chem. Phys. 62 1975 4672
- (1975) J. Chem. Phys. , vol.62 , pp. 4672
- Stewart, C.N.¹

6
- 0000033079
- T.P. Beebe, D.W. Goodman, B.D. Kay, and J.T. Yates J. Chem. Phys. 87 1987 2305
- (1987) J. Chem. Phys. , vol.87 , pp. 2305
- Beebe, T.P.¹ Goodman, D.W.² Kay, B.D.³ Yates, J.T.⁴

7
- 64549144211
- S. Ahmed, A. Aitani, F. Rahman, A. Al-Dawood, and F. Al-Muhaish Appl. Catal. A Gen. 359 2009 1
- (2009) Appl. Catal. A Gen. , vol.359 , pp. 1
- Ahmed, S.¹ Aitani, A.² Rahman, F.³ Al-Dawood, A.⁴ Al-Muhaish, F.⁵

8
- 79951578998
- A.M. Amin, E. Croiset, and W. Epling Int. J. Hydrogen Energy 36 2011 2904
- (2011) Int. J. Hydrogen Energy , vol.36 , pp. 2904
- Amin, A.M.¹ Croiset, E.² Epling, W.³

9
- 0037768641
- J.F. Weaver, A.F. Carlsson, and R.J. Madix Surf. Sci. Rep. 50 2003 107
- (2003) Surf. Sci. Rep. , vol.50 , pp. 107
- Weaver, J.F.¹ Carlsson, A.F.² Madix, R.J.³

10
- 1842614373
- J. Wei, and E. Iglesia J. Phys. Chem. B 108 2004 4094
- (2004) J. Phys. Chem. B , vol.108 , pp. 4094
- Wei, J.¹ Iglesia, E.²

11
- 60949093436
- S. Barama, C. Dupeyrat-Batiot, M. Capron, E. Bordes-Richard, and O. Bakhti-Mohammedi Catal. Today 141 2009 385
- (2009) Catal. Today , vol.141 , pp. 385
- Barama, S.¹ Dupeyrat-Batiot, C.² Capron, M.³ Bordes-Richard, E.⁴ Bakhti-Mohammedi, O.⁵

12
- 0037329203
- T. Choudhary, E. Aksoylu, and W.D. Goodman Catal. Rev. 45 2003 151
- (2003) Catal. Rev. , vol.45 , pp. 151
- Choudhary, T.¹ Aksoylu, E.² Goodman, W.D.³

13
- 0037440806
- A.T. Gee, B.E. Hayden, C. Mormiche, A.W. Kleyn, and B. Riedmüller J. Chem. Phys. 118 2003 3334
- (2003) J. Chem. Phys. , vol.118 , pp. 3334
- Gee, A.T.¹ Hayden, B.E.² Mormiche, C.³ Kleyn, A.W.⁴ Riedmüller, B.⁵

14
- 33847399183
- N. Galea, D. Knapp, and T. Ziegler J. Catal. 247 2007 20
- (2007) J. Catal. , vol.247 , pp. 20
- Galea, N.¹ Knapp, D.² Ziegler, T.³

15
- 79953218684
- S.M. Kozlov, G.F. Cabeza, and K.M. Neyman Chem. Phys. Lett. 506 2011 92
- (2011) Chem. Phys. Lett. , vol.506 , pp. 92
- Kozlov, S.M.¹ Cabeza, G.F.² Neyman, K.M.³

16
- 0000035926
- M.-N. Carré, and B. Jackson J. Chem. Phys. 108 1998 3722
- (1998) J. Chem. Phys. , vol.108 , pp. 3722
- Carré, M.-N.¹ Jackson, B.²

17
- 50049085497
- M. Haroun Catal. Today 138 2008 77
- (2008) Catal. Today , vol.138 , pp. 77
- Haroun, M.¹

18
- 0034628653
- A.V. Zeigarnik, R.E. Valdés-Pérez, and J. Pesenti J. Phys. Chem. B 104 2000 997
- (2000) J. Phys. Chem. B , vol.104 , pp. 997
- Zeigarnik, A.V.¹ Valdés-Pérez, R.E.² Pesenti, J.³

19
- 27144470659
- C.-T. Au, C.-F. Ng, and M.-S. Liao J. Catal. 22 1999 12
- (1999) J. Catal. , vol.22 , pp. 12
- Au, C.-T.¹ Ng, C.-F.² Liao, M.-S.³

20
- 0029706367
- J.L. Whitten, and H. Yang Surf. Sci. Rep. 24 1996 55
- (1996) Surf. Sci. Rep. , vol.24 , pp. 55
- Whitten, J.L.¹ Yang, H.²

21
- 0000905232
- A.C. Luntz J. Chem. Phys. 102 1995 8264
- (1995) J. Chem. Phys. , vol.102 , pp. 8264
- Luntz, A.C.¹

22
- 71649111644
- B. Xing, X.-Y. Pang, G.-C. Wang, and Z.-F. Shang J. Mol. Catal. A Chem. 315 2010 187
- (2010) J. Mol. Catal. A Chem. , vol.315 , pp. 187
- Xing, B.¹ Pang, X.-Y.² Wang, G.-C.³ Shang, Z.-F.⁴

23
- 0038544043
- Y. Xiang, and J.Z.H. Zhang J. Chem. Phys. 118 2003 8954
- (2003) J. Chem. Phys. , vol.118 , pp. 8954
- Xiang, Y.¹ Zhang, J.Z.H.²

24
- 0030264083
- P. Kratzer, B. Hammer, and J.K. Norskov J. Chem. Phys. 105 1996 5595
- (1996) J. Chem. Phys. , vol.105 , pp. 5595
- Kratzer, P.¹ Hammer, B.² Norskov, J.K.³

25
- 20044385302
- A. Anghel, D. Wales, S. Jenkins, and D. King Phys. Rev. B 71 2005 113410
- (2005) Phys. Rev. B , vol.71 , pp. 113410
- Anghel, A.¹ Wales, D.² Jenkins, S.³ King, D.⁴

26
- 67349283008
- M.F. Haroun, P.S. Moussounda, and P. Légaré J. Mol. Struct. THEOCHEM 903 2009 83
- (2009) J. Mol. Struct. THEOCHEM , vol.903 , pp. 83
- Haroun, M.F.¹ Moussounda, P.S.² Légaré, P.³

27
- 71049146234
- D.R. Killelea, V.L. Campbell, N.S. Shuman, R.R. Smith, and A.L. Utz J. Phys. Chem. C 113 2009 20618
- (2009) J. Phys. Chem. C , vol.113 , pp. 20618
- Killelea, D.R.¹ Campbell, V.L.² Shuman, N.S.³ Smith, R.R.⁴ Utz, A.L.⁵

28
- 77953150505
- F. Viñes, Y. Lykhach, T. Staudt, M.P.A. Lorenz, C. Papp, H.-P. Steinrück, J. Libuda, K.M. Neyman, and A. Görling Chem. Eur. J. 16 2010 6530
- (2010) Chem. Eur. J. , vol.16 , pp. 6530
- Viñes, F.¹ Lykhach, Y.² Staudt, T.³ Lorenz, M.P.A.⁴ Papp, C.⁵ Steinrück, H.-P.⁶ Libuda, J.⁷ Neyman, K.M.⁸ Görling, A.⁹

29
- 0036313212
- H.S. Bengaard, J.K. Norskov, J. Sehested, B.S. Clausen, L.P. Nielsen, A.M. Molenbroek, and J.R. Rostrup-Nielsen J. Catal. 209 2002 365
- (2002) J. Catal. , vol.209 , pp. 365
- Bengaard, H.S.¹ Norskov, J.K.² Sehested, J.³ Clausen, B.S.⁴ Nielsen, L.P.⁵ Molenbroek, A.M.⁶ Rostrup-Nielsen, J.R.⁷

30
- 4644265529
- B. Hammer, L.B. Hansen, J.K. Norskov, and J. Kehlet Phys. Rev. B 59 1999 7413
- (1999) Phys. Rev. B , vol.59 , pp. 7413
- Hammer, B.¹ Hansen, L.B.² Norskov, J.K.³ Kehlet, J.⁴

31
- 84875723292
- K. Li, Z. Zhou, Y. Wang, and Z. Wu Surf. Sci. 612 2013 63
- (2013) Surf. Sci. , vol.612 , pp. 63
- Li, K.¹ Zhou, Z.² Wang, Y.³ Wu, Z.⁴

32
- 2442537377
- G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmuller, J.²

33
- 12844286241
- G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

34
- 4243943295
- J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

35
- 67651160601
- S. Gražulis, D. Chateigner, R.T. Downs, A.T. Yokochi, M. Quiros, L. Lutterotti, E. Manakova, J. Butkus, P. Moeck, and A. Le Bail J. Appl. Crystallogr. 42 2009 726
- (2009) J. Appl. Crystallogr. , vol.42 , pp. 726
- Gražulis, S.¹ Chateigner, D.² Downs, R.T.³ Yokochi, A.T.⁴ Quiros, M.⁵ Lutterotti, L.⁶ Manakova, E.⁷ Butkus, J.⁸ Moeck, P.⁹ Le Bail, A.¹⁰

36
- 84874891210
- P. Janthon, S.M. Kozlov, F. Viñes, J. Limtrakul, and F. Illas J. Chem. Theory Comput. 9 2013 1631
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 1631
- Janthon, P.¹ Kozlov, S.M.² Viñes, F.³ Limtrakul, J.⁴ Illas, F.⁵

37
- 72249104051
- J. Klimeš, D.R. Bowler, and A. Michaelides J. Phys. Condens. Matter 22 2010 022201
- (2010) J. Phys. Condens. Matter , vol.22 , pp. 022201
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

38
- 79960645403
- J. Klimeš, D.R. Bowler, and A. Michaelides Phys. Rev. B 83 2011 195131
- (2011) Phys. Rev. B , vol.83 , pp. 195131
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

39
- 3242718844
- M. Dion, H. Rydberg, E. Schröder, D.C. Langreth, and B.I. Lundqvist Phys. Rev. Lett. 92 2004 246401
- (2004) Phys. Rev. Lett. , vol.92 , pp. 246401
- Dion, M.¹ Rydberg, H.² Schröder, E.³ Langreth, D.C.⁴ Lundqvist, B.I.⁵

40
- 84881495213
- J.P. Prates Ramalho, J.R.B. Gomes, and F. Illas RSC Adv. 3 2013 13085
- (2013) RSC Adv. , vol.3 , pp. 13085
- Prates Ramalho, J.P.¹ Gomes, J.R.B.² Illas, F.³

41
- 84879022212
- W. Liu, V.G. Ruiz, G.X. Zhang, B. Santra, X. Ren, M. Scheffler, and A. Tkatchenko New J. Phys. 15 2013 053046
- (2013) New J. Phys. , vol.15 , pp. 053046
- Liu, W.¹ Ruiz, V.G.² Zhang, G.X.³ Santra, B.⁴ Ren, X.⁵ Scheffler, M.⁶ Tkatchenko, A.⁷

42
- 84885598945
- H. Yildirim, T. Greber, and A. Kara J. Phys. Chem. C 117 2013 20572
- (2013) J. Phys. Chem. C , vol.117 , pp. 20572
- Yildirim, H.¹ Greber, T.² Kara, A.³

43
- 84871062092
- W. Liu, J. Carrasco, B. Santra, A. Michaelides, M. Scheffler, and A. Tkatchenko Phys. Rev. B 86 2012 245405
- (2012) Phys. Rev. B , vol.86 , pp. 245405
- Liu, W.¹ Carrasco, J.² Santra, B.³ Michaelides, A.⁴ Scheffler, M.⁵ Tkatchenko, A.⁶

44
- 84857697633
- V.G. Ruiz, W. Liu, E. Zojer, M. Scheffler, and A. Tkatchenko Phys. Rev. Lett. 108 2012 146103
- (2012) Phys. Rev. Lett. , vol.108 , pp. 146103
- Ruiz, V.G.¹ Liu, W.² Zojer, E.³ Scheffler, M.⁴ Tkatchenko, A.⁵

45
- 84872696881
- J. Carrasco, J. Klimeš, and A. Michaelides J. Chem. Phys. 138 2013 024708
- (2013) J. Chem. Phys. , vol.138 , pp. 024708
- Carrasco, J.¹ Klimeš, J.² Michaelides, A.³

46
- 0011236321
- G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

47
- 25744460922
- P.E. Blöchl Phys. Rev. B 50 1994 17953
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

48
- 0042113153
- W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

49
- 1842816907
- H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

50
- 84947621936
- D.L. Gray, and A.G. Robiette Mol. Phys. 37 1979 1901
- (1979) Mol. Phys. , vol.37 , pp. 1901
- Gray, D.L.¹ Robiette, A.G.²

51
- 0011514063
- P.M. Holmblad J. Chem. Phys. 104 1996 7289
- (1996) J. Chem. Phys. , vol.104 , pp. 7289
- Holmblad, P.M.¹

52
- 0024281868
- P.J. Berlowitz, C.H.F. Peden, and D.W. Goodman J. Phys. Chem. 92 1988 5213
- (1988) J. Phys. Chem. , vol.92 , pp. 5213
- Berlowitz, P.J.¹ Peden, C.H.F.² Goodman, D.W.³

53
- 27744580502
- P. Maroni, D.C. Papageorgopoulos, M. Sacchi, T.T. Dang, R.D. Beck, and T.R. Rizzo Phys. Rev. Lett. 94 2005 246104
- (2005) Phys. Rev. Lett. , vol.94 , pp. 246104
- Maroni, P.¹ Papageorgopoulos, D.C.² Sacchi, M.³ Dang, T.T.⁴ Beck, R.D.⁵ Rizzo, T.R.⁶

54
- 77954327084
- K.G. Prasanna, R.A. Olsen, A. Valdés, and G.-J. Kroes Phys. Chem. Chem. Phys. 12 2010 7654
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 7654
- Prasanna, K.G.¹ Olsen, R.A.² Valdés, A.³ Kroes, G.-J.⁴

55
- 0035934538
- L. Halonen, S.L. Bernasek, and D.J. Nesbitt J. Chem. Phys. 115 2001 5611
- (2001) J. Chem. Phys. , vol.115 , pp. 5611
- Halonen, L.¹ Bernasek, S.L.² Nesbitt, D.J.³

56
- 0030379493
- J. Yoshinobu, and M. Kawai Surf. Sci. 368 1996 247
- (1996) Surf. Sci. , vol.368 , pp. 247
- Yoshinobu, J.¹ Kawai, M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.