SCOPUS 정보 검색 플랫폼

Surface Science

Volumn 497, Issue 1-3, 2002, Pages 139-154

Adsorption of CO and CN- on transition metal surfaces: A comparative study of the bonding mechanism

(5) Ample, Francisco a Curulla, Daniel a Fuster, Franck b Clotet, Anna a Ricart, Josep M a

a UNIVERSITAT ROVIRA I VIRGILI (Spain)

b LABORATOIRE DE CHIMIE THÉORIQUE (France)

Author keywords

Carbon monoxide; Chemisorption; Cyanogen; Density functional calculations; Metallic surfaces

Indexed keywords

CARBON MONOXIDE; CHARGE TRANSFER; PROBABILITY DENSITY FUNCTION; SURFACE PHENOMENA; TRANSITION METALS;

METALLIC SURFACES;

CHEMISORPTION;

EID: 0037137912 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(01)01639-9 Document Type: Article

Times cited : (41)

References (89)

1
- 33947485056
- (1964) J. Phys. Chem. , vol.68 , pp. 2772
- Blyholder, G.¹

2
- 0002621969
- (1951) Bull. Soc. Chim. Fr. , vol.18
- Dewar, J.S.¹

3
- 37049155415
- (1953) J. Chem. Soc. , pp. 2939
- Chatt, J.¹ Duncanson, L.A.²

4
- 35949017956
- (1983) Phys. Rev. B , vol.28 , pp. 5423
- Bagus, P.S.¹ Nelin, C.J.² Bauschlicher Jr., C.W.³

5
- 4243285628
- (1992) Surf. Sci. , vol.278 , pp. 601
- Bagus, P.S.¹ Pacchioni, G.²

6
- 33749005863
- (1988) Rev. Mod. Phys. , vol.60 , pp. 601
- Hoffmann, R.¹

7
- 0031342547
- (1997) Surf. Sci. , vol.392 , pp. 173
- Pacchioni, G.¹ Chung, S.-C.² Krüger, S.³ Rösch, N.⁴

8
- 0010702319
- (1991) J. Phys. Chem. , vol.94 , pp. 859
- Wong, Y.-T.¹ Hoffmann, R.²

9
- 0043189247
- (2000) Chem. Phys. Lett. , vol.320 , pp. 222
- García-Hernández, M.¹ Beste, A.² Frenking, G.³ Illas, F.⁴

10
- 3342922611
- (1996) Phys. Rev. Lett. , vol.76 , pp. 2141
- Hammer, B.¹ Morikawa, Y.² Norskov, J.K.³

11
- 0002051279
- (1995) Chem. Phys. Lett. , vol.246 , pp. 73
- Hu, P.¹ King, D.A.² Lee, M.-H.³ Payne, M.C.⁴

12
- 0041783296
- (1998) Surf. Sci. , vol.399
- Aizawa, H.¹ Tsuneyuki, S.²

13
- 0001375719
- (1994) Phys. Rev. B , vol.49 , pp. 14619
- Ohnishi, S.¹ Watari, N.²

14
- 0031118864
- (1997) Surf. Sci. , vol.376 , pp. 279
- Illas, F.¹ Zurita, S.² Márquez, A.M.³ Rubio, J.⁴

15
- 0001586426
- (1999) J. Phys. Chem. B , vol.103 , pp. 5246
- Curulla, D.¹ Clotet, A.² Ricart, J.M.³ Illas, F.⁴

16
- 0001672395
- P.V. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaeffer III, P.R. Schreiner (Eds.), Wiley, Chichester
- (1998) Encyclopedia of Computational Chemistry , vol.4 , pp. 2870
- Bagus, P.S.¹ Illas, F.²

17
- 0030569706
- (1996) Chem. Phys. Lett. , vol.248 , pp. 109
- Chung, S.-C.¹ Krüger, S.² Ruzankin, S.Ph.³ Pacchioni, G.⁴ Rösch, N.⁵

18
- 0034622708
- (2000) J. Chem. Phys. , vol.113 , pp. 4392
- Koper, M.T.M.¹ Van Santen, R.A.² Wasileski, S.A.³ Weaver, M.J.⁴

19
- 36549095723
- (1984) J. Chem. Phys. , vol.81 , pp. 1966
- Bagus, P.S.¹ Hermann, K.² Bauschlicher Jr., C.W.³

20
- 0001433204
- (1986) Phys. Rev. B , vol.33 , pp. 2987
- Bagus, P.S.¹ Hermann, K.²

21
- 36449007414
- (1992) J. Chem. Phys. , vol.96 , pp. 8962
- Bagus, P.S.¹ Illas, F.²

22
- 0042422861
- (1999) Surf. Sci. , vol.442 , pp. 463
- Márquez, A.M.¹ López, N.² García-Hernández, M.³ Illas, F.⁴

23
- 36849107181
- (1971) J. Chem. Phys. , vol.55 , pp. 1236
- Morokuma, K.J.¹

24
- 0007855712
- (1977) Acc. Chem. Res. , vol.10 , pp. 249
- Morokuma, K.J.¹

25
- 33751065104
- (1977) Theor. Chim. Acta , vol.46 , pp. 1
- Ziegler, T.¹ Rauk, A.²

26
- 0007860835
- Department of Theoretical Chemistry, Vrije Universiteit, Amsterdam
- (1997) Amsterdam Density Functional Package, ADF2.3.0

27
- 11644266970
- (1955) J. Chem. Phys. , vol.23 , pp. 1833
- Mulliken, R.S.¹

28
- 0011083499
- (1988) Chem. Rev. , vol.88 , pp. 899
- Reed, K.A.E.¹ Curtis, L.A.² Weinhold, F.³

29
- 6144226868
- (1995) J. Phys. Chem. , vol.99 , pp. 9352
- Dapprich, S.¹ Frenking, G.²

30
- 0004157499
- Clarendon Press, Oxford
- (1990) Atoms in Molecules: A Quantum Theory
- Bader, R.F.W.¹

31
- 36549100412
- (1990) J. Chem. Phys. , vol.92 , pp. 5397
- Becke, A.D.¹ Edgecombe, K.E.²

32
- 0027946619
- (1994) Nature , vol.371 , pp. 683
- Silvi, B.¹ Savin, A.²

33
- 0000295366
- (1987) J. Chem. Phys. , vol.87 , pp. 2170
- Nelin, C.J.¹ Bagus, P.S.² Philpott, M.R.³

34
- 36849109127
- (1967) J. Chem. Phys. , vol.46 , pp. 3320
- Davidson, E.R.¹

35
- 0007859965
- (1987) J. Electrochim. Soc. , vol.134 , pp. 134
- Bunding Lee, K.A.¹ Kunimatsu, K.² Gordon, J.G.³ Golden, W.G.⁴ Seki, H.⁵

36
- 4243448174
- (1998) Phys. Rev. Lett. , vol.80 , pp. 766
- Daum, W.¹ Dederich, F.² Müller, J.E.³

37
- 85033424631
- (2000) Phys. Rev. Lett. , vol.85 , pp. 2655
- Daum, W.¹ Dederich, F.² Müller, J.E.³

38
- 0007863812
- (1996) J. Chem. Soc., Faraday Trans. , vol.92 , pp. 92
- Tadjeddine, A.¹ Peremans, A.² Le Rille, A.³ Zheng, W.Q.⁴ Tadjeddine, M.⁵ Flament, J.-P.⁶

39
- 4243981961
- (1998) Surf. Sci. , vol.396 , pp. 396
- Huerta, F.¹ Morallon, E.² Vazquez, J.L.³ Aldaz, A.⁴

40
- 0002802670
- (2000) Surf. Sci. , vol.461 , pp. 98
- Lennartz, M.¹ Arenz, M.² Stuhlmann, C.³ Wandelt, K.⁴

41
- 0000033859
- (2000) J. Chem. Phys. , vol.112 , pp. 7615
- Matranga, C.¹ Guyot-Sionnest, P.²

42
- 0000780764
- (1987) J. Spectrosc. Rel. Phenom. , vol.45 , pp. 169
- Philpott, M.R.¹ Bagus, P.S.² Nelin, C.J.³ Seki, H.⁴

43
- 0000295366
- (1987) J. Chem. Phys. , vol.87 , pp. 2170
- Nelin, C.J.¹ Bagus, P.S.² Philpott, M.R.³

44
- 0023421268
- (1987) Appl. Phys. A , vol.44 , pp. 63
- Hermann, K.¹ Bagus, P.S.²

45
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

46
- 0000842304
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Hay, P.J.¹ Wadt, W.R.²

47
- 33748225339
- (1991) Angew. Chem. Int. Ed. Engl. , vol.30 , pp. 409
- Savin, A.¹ Becke, A.D.² Flad, J.³ Nesper, R.⁴ Preuss, H.⁵ Schnering, H.G.V.⁶

48
- 0034727579
- (2000) J. Mol. Struct. , vol.555 , pp. 75
- Fuster, F.¹ Silvi, B.²

49
- 0142025769
- (1999) J. Phys. Chem. B , vol.103 , pp. 7340
- Trout, B.L.¹ Parinello, M.²

50
- 0344288801
- (1996) Int. J. Quant. Chem. , vol.60 , pp. 875
- Kohout, M.¹ Savin, A.²

51
- 0007758299
- (1997) J. Mol. Struct. (Theochem) , vol.450 , pp. 59
- Noury, S.¹ Colonna, F.² Savin, A.³

52
- 33748225446
- (1994) Angew. Chem. Int. Ed. Engl. , vol.33 , pp. 2069
- Häussermann, U.¹ Wengert, S.² Nesper, R.³

53
- 0001292101
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4142
- Cioslowski, J.¹ Mixon, S.T.²

54
- 33751157179
- (1994) J. Phys. Chem. , vol.98 , pp. 5244
- Angyan, J.G.¹ Loos, M.² Mayer, I.³

55
- 0001618621
- O. Chalvet, R. Daudel, S. Diner, J.P. Malrieu (Eds.), Reidel publisher, Dordrecht
- (1976) Localization and Delocalization in Quantum Chemistry , vol.9 , pp. 395
- Diner, S.¹ Claverie, P.²

56
- 0001011577
- (1979) J. Chem. Am. Soc. , vol.101 , pp. 1389
- Bader, R.F.W.¹ Anderson, S.G.² Duke, A.J.³

57
- 0030166214
- (1996) Can. J. Chem. , vol.74 , pp. 1088
- Savin, A.¹ Silvi, B.² Colonna, F.³

58
- 0004133516
- Gaussian Inc., Pittsburgh, PA
- (1999) Gaussian98
- Frisch, M.¹

59
- 0007759381
- Universitat Rovira i Virgili, Tarragona, Spain
- Ortiz, J.C.¹ Bo, C.²

60
- 0004176862
- (1997) Topmod package
- Noury, S.¹ Krokidis, X.² Fuster, F.³ Silvi, B.⁴

61
- 0000393496
- (1999) Comput. Chem. , vol.23 , pp. 597
- Noury, S.¹ Krokidis, X.² Fuster, F.³ Silvi, B.⁴

62
- 0004261805
- Supercomputer Computations Research Institute, Florida State University, Tallahassee, FLA
- (1993) SciAn
- Pepke, E.¹ Murray, J.² Lyons, J.³ Hwu, T.-Z.⁴

63
- 0007808487
- (1977) Chem. Phys. Lett. , vol.46 , pp. 571
- Conrad, H.¹ Küppers, J.² Nitschke, F.³ Netzer, F.P.⁴

64
- 0007337640
- (1993) J. Phys. Chem. , vol.97 , pp. 9784
- Kim, C.S.¹ Korzeniewski, C.²

65
- 0000356118
- (2000) Chem. Phys. Lett. , vol.322 , pp. 561
- Ren, B.¹ Li, X.-Q.² Wu, D.-Y.³ Yao, J.-L.⁴ Xie, Y.⁵ Tian, Z.-Q.⁶

66
- 24844446213
- (1987) Surf. Sci. , vol.188
- Somers, J.¹ Kordesh, M.E.² Lindner, Th.³ Conrad, H.⁴ Williams, G.P.⁵

67
- 0000778283
- (1995) J. Chem. Phys. , vol.103 , pp. 8756
- Yang, H.¹ Cves, T.C.² Whitten, J.L.³

68
- 0031232910
- (1997) J. Phys. Chem. A , vol.101 , pp. 7277
- Krokidis, X.¹ Noury, S.² Silvi, B.³

69
- 0034344165
- (2000) Theor. Chem. Acc. , vol.104 , pp. 13
- Fuster, F.¹ Silvi, B.²

70
- 0035909755
- (2001) J. Phys. Chem. A , vol.105 , pp. 9460
- Llusar, R.¹ Beltran, A.² Andrés, J.³ Fuster, F.⁴ Silvi, B.⁵

71
- 0007758301
- Oral communication
- J.G. Angyan, B. Silvi (Eds.), La Colle-sur- Loup, France
- (2000) Chemical Bonding: State of the Art in Conceptual Quantum Chemistry , pp. 42
- Jansen, G.¹

72
- 3342982081
- (1987) Phys. Rev. Lett. , vol.58 , pp. 559
- Bagus, P.S.¹ Nelin, C.J.² Müller, W.³ Philpott, M.R.⁴ Seki, H.⁵

73
- 0000033859
- (2000) J. Chem. Phys. , vol.112 , pp. 7615
- Matranga, C.¹ Guyot, P.²

74
- 0035836546
- (2001) Surf. Sci. , vol.477 , pp. 59
- López, N.¹ Norskov, J.K.²

75
- 0003919078
- Van Nostrand-Reinhold, New York
- (1979) Molecular Spectra and Molecular Structure, Constants of Diatomics Molecules , vol.4
- Huber, K.P.¹ Herzberg, G.²

76
- 0007813774
- in press
- J. Chem. Phys.
- Linke, R.¹ Curulla, D.² Hoptstaken, M.J.P.³ Niemantsverdriet, J.W.⁴

77
- 36749104584
- (1974) J. Chem. Phys. , vol.60 , pp. 4719
- Christmann, K.¹ Schober, O.² Ertl, G.³

78
- 4243666258
- (1992) Surf. Sci. , vol.275 , pp. 170
- Erley, W.¹ Wagner, H.² Ibach, H.³

79
- 84907857799
- (1970) Z. Naturforsch. Teil A , vol.25 , pp. 1906
- Ertl, G.¹ Koch, J.²

80
- 0009585507
- (1978) Surf. Sci. , vol.72 , pp. 513
- Bradshaw, A.M.¹ Hoffmann, F.M.²

81
- 0002004477
- (1979) Surf. Sci. , vol.88
- Behm, R.J.¹ Christmann, K.² Ertl, G.³ Van Hove, M.A.⁴ Thiel, P.A.⁵ Weinberg, W.H.⁶

82
- 0030197375
- (1996) J. Phys. Chem. , vol.100 , pp. 12483
- Wartnaby, C.E.¹ Stuck, A.² Yeo, Y.Y.³ King, D.A.⁴

83
- 0001020475
- (1986) Surf. Sci. , vol.173 , pp. 351
- Ogletree, D.F.¹ Van Hove, M.A.² Somorjai, G.A.³

84
- 49449126953
- (1977) Surf. Sci. , vol.64 , pp. 393
- Ertl, G.¹ Neuman, M.² Streit, K.M.³

85
- 0001486164
- (1983) Surf. Sci. , vol.125 , pp. 787
- Hayden, B.E.¹ Bradshaw, A.M.²

86
- 30244469397
- (1982) Surf. Sci. , vol.123 , pp. 264
- Steiniger, H.¹ Lehwald, S.S.² Ibach, H.³

87
- 0001420140
- (1985) Surf. Sci. , vol.158 , pp. 596
- Kunimatsu, K.¹ Seki, H.² Golden, W.G.³ Gordon II, J.G.⁴ Philpott, M.R.⁵

88
- 0031698699
- (1998) Surf. Sci. , vol.396 , pp. 400
- Huerta, F.J.¹ Morallon, E.² Vazquez, J.L.³ Aldaz, A.⁴

89
- 4243301618
- (2000) Chem. Phys. Lett. , vol.322 , pp. 326
- Ren, B.¹ Li, X.-Q.² Wu, D.-Y.³ Yao, J.-L.⁴ Lie, Y.⁵ Tian, Z.-Q.⁶

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.