SCOPUS 정보 검색 플랫폼

Volumn 573, Issue 3, 2004, Pages 433-445

Dissociative chemisorption of H2 on Pt(111): Isotope effect and effects of the rotational distribution and energy dispersion

(4) Vincent, J K a Olsen, R A a Kroes, G J a Baerends, E J b

a LEIDEN UNIVERSITY (Netherlands)

b VU UNIVERSITY AMSTERDAM (Netherlands)

Author keywords

Ab initio quantum chemical methods and calculations; Chemisorption; Density functional calculations; Deuterium; Energy dissipation; Hydrogen molecule; Platinum

Indexed keywords

APPROXIMATION THEORY; DESORPTION; DEUTERIUM; DISSOCIATION; ENERGY DISSIPATION; HYDROGEN; ISOTOPES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PLATINUM; POTENTIAL ENERGY; PROBABILITY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

AB INITIO QUANTUM CHEMICAL METHODS AND CALCULATIONS; DENSITY FUNCTIONAL CALCULATIONS; ENERGY DISPERSION; HYDROGEN MOLECULES;

CHEMISORPTION;

EID: 10044272125 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/j.susc.2004.10.010 Document Type: Article

Times cited : (44)

References (59)

1
- 36749117607
- S.L. Bernasek, G.A. Somorjai, J. Chem. Phys. 62 (1975) 3149.
- (1975) J. Chem. Phys. , vol.62 , pp. 3149
- Bernasek, S.L.¹ Somorjai, G.A.²

2
- 0001382083
- I.E. Wachs, R.J. Madix, Surf. Sci. 58 (1976) 590.
- (1976) Surf. Sci. , vol.58 , pp. 590
- Wachs, I.E.¹ Madix, R.J.²

3
- 0001106998
- M. Salmeron, R.J. Gale, G.A. Sormorjai, J. Chem. Phys. 67 (1977) 5324.
- (1977) J. Chem. Phys. , vol.67 , pp. 5324
- Salmeron, M.¹ Gale, R.J.² Sormorjai, G.A.³

4
- 0029253665
- L.K. Verheij, M.B. Hugenschmidt, Surf. Sci. 324 (1995) 185.
- (1995) Surf. Sci. , vol.324 , pp. 185
- Verheij, L.K.¹ Hugenschmidt, M.B.²

5
- 0000429177
- A.T. Pasteur, S.J. Dixox-Warren, Q. Ge, D.A. King, J. Chem. Phys. 106 (1997) 8896.
- (1997) J. Chem. Phys. , vol.106 , pp. 8896
- Pasteur, A.T.¹ Dixox-Warren, S.J.² Ge, Q.³ King, D.A.⁴

6
- 25544446522
- K. Christmann, G. Ertl, T. Pignet, Surf. Sci. 54 (1976) 365.
- (1976) Surf. Sci. , vol.54 , pp. 365
- Christmann, K.¹ Ertl, G.² Pignet, T.³

7
- 25544446522
- K. Christmann, G. Ertl, Surf. Sci. 60 (1976) 365.
- (1976) Surf. Sci. , vol.60 , pp. 365
- Christmann, K.¹ Ertl, G.²

8
- 4243519173
- B. Poelsema, L.K. Verheij, G. Cosma, Surf. Sci. 148 (1984) 117.
- (1984) Surf. Sci. , vol.148 , pp. 117
- Poelsema, B.¹ Verheij, L.K.² Cosma, G.³

9
- 0009408692
- L.K. Verheij, M.B. Hugenschmit, A.B. Anton, B. Poelsema, G. Comsa, Surf. Sci. 210 (1989) 1.
- (1989) Surf. Sci. , vol.210 , pp. 1
- Verheij, L.K.¹ Hugenschmit, M.B.² Anton, A.B.³ Poelsema, B.⁴ Comsa, G.⁵

10
- 0000674796
- B. Lang, R.W. Joyner, G.A. Somorjai, Surf. Sci. 30 (1972) 454.
- (1972) Surf. Sci. , vol.30 , pp. 454
- Lang, B.¹ Joyner, R.W.² Somorjai, G.A.³

11
- 0001394613
- S.C. Gebhard, B.E. Koel, J. Phys. Chem. 96 (1992) 7056.
- (1992) J. Phys. Chem. , vol.96 , pp. 7056
- Gebhard, S.C.¹ Koel, B.E.²

12
- 0000490769
- J.P. Cowin, C.F. Yu, S.J. Sibener, L. Wharton, J. Chem. Phys. 79 (1983) 3537.
- (1983) J. Chem. Phys. , vol.79 , pp. 3537
- Cowin, J.P.¹ Yu, C.F.² Sibener, S.J.³ Wharton, L.⁴

13
- 36549092353
- A.C. Luntz, J.K. Brown, M.D. Williams, J. Chem. Phys. 93 (1990) 5240.
- (1990) J. Chem. Phys. , vol.93 , pp. 5240
- Luntz, A.C.¹ Brown, J.K.² Williams, M.D.³

14
- 0037159071
- E. Pijper, G.J. Kroes, R.A. Olsen, E.J. Baerends, J. Chem. Phys. 117 (2002) 5885.
- (2002) J. Chem. Phys. , vol.117 , pp. 5885
- Pijper, E.¹ Kroes, G.J.² Olsen, R.A.³ Baerends, E.J.⁴

15
- 0000534649
- R.A. Olsen, G.J. Kroes, E.J. Baerends, J. Chem. Phys. 111 (1999) 11155.
- (1999) J. Chem. Phys. , vol.111 , pp. 11155
- Olsen, R.A.¹ Kroes, G.J.² Baerends, E.J.³

16
- 0036492089
- R.A. Olsen, H.F. Busnengo, A. Salin, M.F. Somers, G.J. Kroes, E.J. Baerends, J. Chem. Phys. 116 (2002) 3841.
- (2002) J. Chem. Phys. , vol.116 , pp. 3841
- Olsen, R.A.¹ Busnengo, H.F.² Salin, A.³ Somers, M.F.⁴ Kroes, G.J.⁵ Baerends, E.J.⁶

17
- 0034323092
- E. Pijper, G.J. Kroes, R.A. Olsen, E.J. Baerends, J. Chem. Phys. 113 (2000) 8300.
- (2000) J. Chem. Phys. , vol.113 , pp. 8300
- Pijper, E.¹ Kroes, G.J.² Olsen, R.A.³ Baerends, E.J.⁴

18
- 0034899993
- D. Wetzig, M. Rutkowski, H. Zacharias, Phys. Rev. B 63 (2001) 205412.
- (2001) Phys. Rev. B , vol.63 , pp. 205412
- Wetzig, D.¹ Rutkowski, M.² Zacharias, H.³

19
- 0030570290
- A. Gross, M. Scheffler, Chem. Phys. Lett. 256 (1996) 417.
- (1996) Chem. Phys. Lett. , vol.256 , pp. 417
- Gross, A.¹ Scheffler, M.²

20
- 0000209376
- E. Pijper, M.F. Somers, G.J. Kroes, R.A. Olsen, E.J. Baerends, H.F. Busnengo, A. Salin, D. Lemoine, Chem. Phys. Lett. 347 (2001) 277.
- (2001) Chem. Phys. Lett. , vol.347 , pp. 277
- Pijper, E.¹ Somers, M.F.² Kroes, G.J.³ Olsen, R.A.⁴ Baerends, E.J.⁵ Busnengo, H.F.⁶ Salin, A.⁷ Lemoine, D.⁸

21
- 0000557383
- D.A. King, M.G. Wells, Proc. R. Soc. London Ser. A 339 (1974) 245.
- (1974) Proc. R. Soc. London Ser. A , vol.339 , pp. 245
- King, D.A.¹ Wells, M.G.²

22
- 0027115130
- H.A. Michelsen, C.T. Rettner, D.J. Auerbach, Surf. Sci. 272 (1992) 65.
- (1992) Surf. Sci. , vol.272 , pp. 65
- Michelsen, H.A.¹ Rettner, C.T.² Auerbach, D.J.³

23
- 10044287897
- Private communication
- A.C. Luntz, Private communication.
- Luntz, A.C.¹

24
- 0032691297
- G.J. Kroes, Prog. Surf. Sci. 60 (1999) 1.
- (1999) Prog. Surf. Sci. , vol.60 , pp. 1
- Kroes, G.J.¹

25
- 0000674553
- M.J. Murphy, A. Hodgson, J. Chem. Phys. 108 (1998) 4199.
- (1998) J. Chem. Phys. , vol.108 , pp. 4199
- Murphy, M.J.¹ Hodgson, A.²

26
- 36549092459
- G.D. Kubiak, G.O. Sitz, R.N. Zare, J. Chem. Phys. 83 (1985) 2538.
- (1985) J. Chem. Phys. , vol.83 , pp. 2538
- Kubiak, G.D.¹ Sitz, G.O.² Zare, R.N.³

27
- 10044262756
- L. Schröter, H. Zacharias, R. David, J. Electron Spectrosc. Relat. Phenom. 45 (1987) 403.
- (1987) J. Electron Spectrosc. Relat. Phenom. , vol.45 , pp. 403
- Schröter, L.¹ Zacharias, H.² David, R.³

28
- 0037335510
- S.M. Kingma, M.F. Somers, E. Pijper, G.J. Kroes, R.A. Olsen, E.J. Baerends, J. Chem. Phys. 118 (2003) 4190.
- (2003) J. Chem. Phys. , vol.118 , pp. 4190
- Kingma, S.M.¹ Somers, M.F.² Pijper, E.³ Kroes, G.J.⁴ Olsen, R.A.⁵ Baerends, E.J.⁶

29
- 0031075178
- M. Dohle, P. Saalfrank, Surf. Sci. 373 (1997) 95.
- (1997) Surf. Sci. , vol.373 , pp. 95
- Dohle, M.¹ Saalfrank, P.²

30
- 0000426088
- P. Samson, A. Nesbitt, B.E. Koel, A. Hodgson, J. Chem. Phys. 109 (1998) 3255.
- (1998) J. Chem. Phys. , vol.109 , pp. 3255
- Samson, P.¹ Nesbitt, A.² Koel, B.E.³ Hodgson, A.⁴

31
- 10044233524
- Private communication
- A. Hodgson, Private communication.
- Hodgson, A.¹

32
- 11144358242
- A. Dianat, A. Gross, J. Chem. Phys. 120 (2004) 5339.
- (2004) J. Chem. Phys. , vol.120 , pp. 5339
- Dianat, A.¹ Gross, A.²

33
- 4243553426
- A.D. Becke, Phys. Rev. A 38 (1988) 3098.
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

34
- 5944261746
- J.P. Perdew, Phys. Rev. B 33 (1986) 8822.
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

35
- 0000670223
- G.R. Darling, S. Holloway, Rep. Prog. Phys. 58 (1995) 1595.
- (1995) Rep. Prog. Phys. , vol.58 , pp. 1595
- Darling, G.R.¹ Holloway, S.²

36
- 0032316443
- A. Gross, Surf. Sci. Rep. 32 (1998) 291.
- (1998) Surf. Sci. Rep. , vol.32 , pp. 291
- Gross, A.¹

37
- 0001674952
- G. te Velde, E.J. Baerends, Phys. Rev. B 44 (1991) 7888.
- (1991) Phys. Rev. B , vol.44 , pp. 7888
- Te Velde, G.¹ Baerends, E.J.²

38
- 0001083484
- H.F. Busnengo, A. Salin, W. Dong, J. Chem. Phys. 112 (2000) 7641.
- (2000) J. Chem. Phys. , vol.112 , pp. 7641
- Busnengo, H.F.¹ Salin, A.² Dong, W.³

39
- 1142279256
- R. Kosloff, J. Phys. Chem. 92 (1988) 2087.
- (1988) J. Phys. Chem. , vol.92 , pp. 2087
- Kosloff, R.¹

40
- 0042973847
- M.D. Feit, J.A. Fleck Jr., A. Steiger, J. Comput. Phys. 47 (1982) 412.
- (1982) J. Comput. Phys. , vol.47 , pp. 412
- Feit, M.D.¹ Fleck Jr., J.A.² Steiger, A.³

41
- 0347526901
- G.G. Balint-Kurti, R.N. Dixon, C.C. Marston, J. Chem. Soc. Faraday Trans. 86 (1990) 1741.
- (1990) J. Chem. Soc. Faraday Trans. , vol.86 , pp. 1741
- Balint-Kurti, G.G.¹ Dixon, R.N.² Marston, C.C.³

42
- 0001552145
- M. Hand, J. Harris, J. Chem. Phys. 92 (1990) 7610.
- (1990) J. Chem. Phys. , vol.92 , pp. 7610
- Hand, M.¹ Harris, J.²

43
- 0037158987
- Z.S. Wang, G.R. Darling, B. Jackson, S. Holloway, J. Phys. Chem. B 106 (2002) 8422.
- (2002) J. Phys. Chem. B , vol.106 , pp. 8422
- Wang, Z.S.¹ Darling, G.R.² Jackson, B.³ Holloway, S.⁴

44
- 36449004863
- H.A. Michelsen, C.T. Rettner, D.J. Auerbach, R.N. Zare, J. Chem. Phys. 98 (1993) 8294.
- (1993) J. Chem. Phys. , vol.98 , pp. 8294
- Michelsen, H.A.¹ Rettner, C.T.² Auerbach, D.J.³ Zare, R.N.⁴

45
- 36449008084
- C.T. Rettner, H.A. Michelsen, D.J. Auerbach, J. Chem. Phys. 102 (1995) 4625.
- (1995) J. Chem. Phys. , vol.102 , pp. 4625
- Rettner, C.T.¹ Michelsen, H.A.² Auerbach, D.J.³

46
- 0001461148
- J. Dai, J. Sheng, J.Z.H. Zhang, J. Chem. Phys. 101 (1994) 1555.
- (1994) J. Chem. Phys. , vol.101 , pp. 1555
- Dai, J.¹ Sheng, J.² Zhang, J.Z.H.³

47
- 0032496009
- J. Dai, J.C. Light, J. Chem. Phys. 108 (1998) 7816.
- (1998) J. Chem. Phys. , vol.108 , pp. 7816
- Dai, J.¹ Light, J.C.²

48
- 0001038903
- G.R. Darling, S. Holloway, J. Chem. Phys. 101 (1994) 3268.
- (1994) J. Chem. Phys. , vol.101 , pp. 3268
- Darling, G.R.¹ Holloway, S.²

49
- 0343733987
- A. Gross, S. Wilke, M. Scheffler, Phys. Rev. Lett. 75 (1995) 2718.
- (1995) Phys. Rev. Lett. , vol.75 , pp. 2718
- Gross, A.¹ Wilke, S.² Scheffler, M.³

50
- 0346058172
- H.F. Busnengo, E. Pijper, G.J. Kroes, A. Salin, J. Chem. Phys. 119 (2003) 12553.
- (2003) J. Chem. Phys. , vol.119 , pp. 12553
- Busnengo, H.F.¹ Pijper, E.² Kroes, G.J.³ Salin, A.⁴

51
- 0030257726
- A. Gross, M. Scheffler, Prog. Surf. Sci. 53 (1996) 187.
- (1996) Prog. Surf. Sci. , vol.53 , pp. 187
- Gross, A.¹ Scheffler, M.²

52
- 0030165498
- A. Gross, S. Wilke, M. Scheffler, Surf. Sci. 357-358 (1996) 614.
- (1996) Surf. Sci. , vol.357-358 , pp. 614
- Gross, A.¹ Wilke, S.² Scheffler, M.³

53
- 0000671263
- A. Gross, M. Scheffler, Phys. Rev. B 57 (1998) 2493.
- (1998) Phys. Rev. B , vol.57 , pp. 2493
- Gross, A.¹ Scheffler, M.²

54
- 0037044552
- M.F. Somers, D.A. McCormack, G.J. Kroes, R.A. Olsen, E.J. Baerends, R.C. Mowrey, J. Chem. Phys. 117 (2002) 6673.
- (2002) J. Chem. Phys. , vol.117 , pp. 6673
- Somers, M.F.¹ McCormack, D.A.² Kroes, G.J.³ Olsen, R.A.⁴ Baerends, E.J.⁵ Mowrey, R.C.⁶

55
- 10044244426
- M. Luppi, R.A. Olsen, E.J. Baerends, in preparation
- M. Luppi, R.A. Olsen, E.J. Baerends, in preparation.

56
- 23244460838
- J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671.
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

57
- 4644265529
- B. Hammer, L.B. Hansen, J.K. Nørskov, Phys. Rev. B 59 (1999) 7413.
- (1999) Phys. Rev. B , vol.59 , pp. 7413
- Hammer, B.¹ Hansen, L.B.² Nørskov, J.K.³

58
- 10044291426
- accepted for publication
- J.K. Vincent, R.A. Olsen, G.J. Kroes, M. Luppi, E.J. Baerends, J. Chem. Phys., accepted for publication.
- J. Chem. Phys.
- Vincent, J.K.¹ Olsen, R.A.² Kroes, G.J.³ Luppi, M.⁴ Baerends, E.J.⁵

59
- 10044229144
- DACAPO code, http://www.fysik.dtu.dk/campos/Dacapo/.
- DACAPO Code

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.