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Volumn 24, Issue 3-4, 1996, Pages 55-57

Theory of chemisorption and reactions on metal surfaces

Author keywords

Adsorption; Catalysis; Chemisorption; Clusters; Metal clusters; Metal surfaces; Metals; Surface reactions; Surfaces; Theory; Theory of chemisorption; Transition metals

Indexed keywords

ADSORPTION; ATOMS; CATALYSIS; CHEMISORPTION; ELECTRONIC STRUCTURE; MOLECULES; NUMERICAL METHODS; POLARIZATION; SURFACES; TRANSITION METALS;

EID: 0029706367     PISSN: 01675729     EISSN: None     Source Type: Journal    
DOI: 10.1016/0167-5729(96)80004-5     Document Type: Article
Times cited : (259)

References (574)
  • 1
    • 10644250257 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. B 136 (1964) 864; W. Kohn and L.J. Sham, Phys. Rev. A 140 (1965) 1133.
    • (1964) Phys. Rev. B , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 2
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. B 136 (1964) 864; W. Kohn and L.J. Sham, Phys. Rev. A 140 (1965) 1133.
    • (1965) Phys. Rev. A , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 3
    • 0000721485 scopus 로고
    • The challenge of d and f electrons, theory and computation
    • Eds. D.R. Salahub and M.C. Zerner
    • A.D. Becke, in: The Challenge of d and f Electrons, Theory and Computation, Eds. D.R. Salahub and M.C. Zerner, ACS Symp. Ser. 394 (1989) p. 165.
    • (1989) ACS Symp. Ser. , vol.394 , pp. 165
    • Becke, A.D.1
  • 10
    • 0003231406 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Plenum, New York
    • G. Pacchioni, P.S. Bagus and F. Parmigiani, Eds., Cluster Models for Surface and Bulk Phenomena, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992).
    • (1992) NATO ASI Ser. , vol.283
    • Pacchioni, G.1    Bagus, P.S.2    Parmigiani, F.3
  • 12
    • 0003631340 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
    • E.J. Baerends, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 189.
    • (1992) NATO ASI Ser. , vol.283 , pp. 189
    • Baerends, E.J.1
  • 21
    • 0042253311 scopus 로고
    • Berlin (West), Verlag Chemie, Weinheim
    • R.A. van Santen in: Proc. 8th Int. Congr. on Catalysis, Berlin (West), Vol. IV (Verlag Chemie, Weinheim, 1984) p. 97; R.A. van Santen, J. Chem. Phys. 83 (1985) 6039.
    • (1984) Proc. 8th Int. Congr. on Catalysis , vol.4 , pp. 97
    • Van Santen, R.A.1
  • 22
    • 0042253312 scopus 로고
    • R.A. van Santen in: Proc. 8th Int. Congr. on Catalysis, Berlin (West), Vol. IV (Verlag Chemie, Weinheim, 1984) p. 97; R.A. van Santen, J. Chem. Phys. 83 (1985) 6039.
    • (1985) J. Chem. Phys. , vol.83 , pp. 6039
    • Van Santen, R.A.1
  • 33
    • 35949018705 scopus 로고
    • FLAPW calculational methods are described in E. Wimmer, H. Krakauer, M. Weinert and A.J. Freeman, Phys. Rev. B 24 (1981) 864 and M. Weinert, E. Wimmer and A.J. Freeman, Phys, Rev. B 26 (1982) 4571, and references therein.
    • (1981) Phys. Rev. B , vol.24 , pp. 864
    • Wimmer, E.1    Krakauer, H.2    Weinert, M.3    Freeman, A.J.4
  • 34
    • 26544480072 scopus 로고
    • and references therein.
    • FLAPW calculational methods are described in E. Wimmer, H. Krakauer, M. Weinert and A.J. Freeman, Phys. Rev. B 24 (1981) 864 and M. Weinert, E. Wimmer and A.J. Freeman, Phys, Rev. B 26 (1982) 4571, and references therein.
    • (1982) Phys, Rev. B , vol.26 , pp. 4571
    • Weinert, M.1    Wimmer, E.2    Freeman, A.J.3
  • 36
    • 0001491940 scopus 로고
    • D.R. Hamann and P.J. Feibelman, Phys. Rev. B 37 (1988) 3847; P.J. Feibelman, Phys. Rev. B 43 (1991) 9452.
    • (1991) Phys. Rev. B , vol.43 , pp. 9452
    • Feibelman, P.J.1
  • 38
    • 0001069304 scopus 로고
    • P.J. Feibelman, J.E. Houston, H.L. Davis and D.G. O'Neill, Surf. Sci. 302 (1994) 81; P.J. Feibelman, J.S. Nelson and G.L. Kellogg, Phys. Rev. B 49 (1994) 10548; P.J. Feibelman, Phys. Rev. B 49 (1994) 14632.
    • (1994) Phys. Rev. B , vol.49 , pp. 10548
    • Feibelman, P.J.1    Nelson, J.S.2    Kellogg, G.L.3
  • 39
    • 0006406647 scopus 로고
    • P.J. Feibelman, J.E. Houston, H.L. Davis and D.G. O'Neill, Surf. Sci. 302 (1994) 81; P.J. Feibelman, J.S. Nelson and G.L. Kellogg, Phys. Rev. B 49 (1994) 10548; P.J. Feibelman, Phys. Rev. B 49 (1994) 14632.
    • (1994) Phys. Rev. B , vol.49 , pp. 14632
    • Feibelman, P.J.1
  • 42
    • 24844469558 scopus 로고
    • J.K. Nørskov, Phys. Rev. B 26 (1982) 2875; U. Nielsen, D. Halstead, S. Holloway and J.K. Nørskov, J. Chem. Phys. 93 (1990) 2897.
    • (1982) Phys. Rev. B , vol.26 , pp. 2875
    • Nørskov, J.K.1
  • 44
    • 4244024430 scopus 로고
    • M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1985) 1285; Phys. B 29 (1984) 6443; M.S. Daw, Phys. Rev. B 39 (1989) 7441.
    • (1985) Phys. Rev. Lett. , vol.50 , pp. 1285
    • Daw, M.S.1    Baskes, M.I.2
  • 45
    • 4244024430 scopus 로고
    • M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1985) 1285; Phys. B 29 (1984) 6443; M.S. Daw, Phys. Rev. B 39 (1989) 7441.
    • (1984) Phys. B , vol.29 , pp. 6443
  • 46
    • 30244480052 scopus 로고
    • M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1985) 1285; Phys. B 29 (1984) 6443; M.S. Daw, Phys. Rev. B 39 (1989) 7441.
    • (1989) Phys. Rev. B , vol.39 , pp. 7441
    • Daw, M.S.1
  • 49
    • 0346748936 scopus 로고
    • J.P. Kress and A.E. DePristo, J. Chem. Phys. 87 (1987) 4700; 88 (1988) 2596.
    • (1988) J. Chem. Phys. , vol.88 , pp. 2596
  • 56
    • 0000974024 scopus 로고
    • Density functional theory of many-fermion systems
    • Ed. S.B. Trickey
    • B.I. Dunlap and N. Rösch, in: Density Functional Theory of Many-Fermion Systems, Ed. S.B. Trickey, Adv. Quant. Chem. 21 (1990) 317.
    • (1990) Adv. Quant. Chem. , vol.21 , pp. 317
    • Dunlap, B.I.1    Rösch, N.2
  • 59
    • 0000987197 scopus 로고
    • H. Nakatsuji, J. Chem. Phys. 87 (1987) 4995; H. Nakatsuji, H. Nakai and Y. Fukunishi, J. Chem. Phys. 95 (1991) 640.
    • (1987) J. Chem. Phys. , vol.87 , pp. 4995
    • Nakatsuji, H.1
  • 61
  • 62
    • 0000068089 scopus 로고
    • H. Nakatsuji and H. Nakai, Chem. Phys. Lett. 174 (1990) 283; Can. J. Chem. 70 (1992) 404; J. Chem. Phys. 98 (1993) 2423.
    • (1992) Can. J. Chem. , vol.70 , pp. 404
  • 63
    • 33646472487 scopus 로고
    • H. Nakatsuji and H. Nakai, Chem. Phys. Lett. 174 (1990) 283; Can. J. Chem. 70 (1992) 404; J. Chem. Phys. 98 (1993) 2423.
    • (1993) J. Chem. Phys. , vol.98 , pp. 2423
  • 67
    • 36549103447 scopus 로고
    • Z. Barandiarán and L. Seijo, J. Chem. Phys. 89 (1988) 5739; Z. Barandiarán and L. Seijo, in: Computational Chemistry: Structure, Interactions and Reactivity, Vol. 77B of Studies in Physical and Theoretical Chemistry, Ed. S. Fraga (Elsevier, Amsterdam, 1992) pp. 435-461.
    • (1988) J. Chem. Phys. , vol.89 , pp. 5739
    • Barandiarán, Z.1    Seijo, L.2
  • 68
    • 0000604486 scopus 로고
    • Computational chemistry: Structure, interactions and reactivity
    • Ed. S. Fraga Elsevier, Amsterdam
    • Z. Barandiarán and L. Seijo, J. Chem. Phys. 89 (1988) 5739; Z. Barandiarán and L. Seijo, in: Computational Chemistry: Structure, Interactions and Reactivity, Vol. 77B of Studies in Physical and Theoretical Chemistry, Ed. S. Fraga (Elsevier, Amsterdam, 1992) pp. 435-461.
    • (1992) Studies in Physical and Theoretical Chemistry , vol.77 B , pp. 435-461
    • Barandiarán, Z.1    Seijo, L.2
  • 69
    • 0000188793 scopus 로고
    • R. McWeeny, Proc. R. Soc. London, Ser. A 253 (1959) 242; Rev. Mod. Phys. 32 (1960) 335; M. Kleiner and R. McWeeny, Chem. Phys. Lett. 19 (1973) 476.
    • (1959) Proc. R. Soc. London, Ser. A , vol.253 , pp. 242
    • McWeeny, R.1
  • 70
    • 0011407476 scopus 로고
    • R. McWeeny, Proc. R. Soc. London, Ser. A 253 (1959) 242; Rev. Mod. Phys. 32 (1960) 335; M. Kleiner and R. McWeeny, Chem. Phys. Lett. 19 (1973) 476.
    • (1960) Rev. Mod. Phys. , vol.32 , pp. 335
  • 71
    • 0000631423 scopus 로고
    • R. McWeeny, Proc. R. Soc. London, Ser. A 253 (1959) 242; Rev. Mod. Phys. 32 (1960) 335; M. Kleiner and R. McWeeny, Chem. Phys. Lett. 19 (1973) 476.
    • (1973) Chem. Phys. Lett. , vol.19 , pp. 476
    • Kleiner, M.1    McWeeny, R.2
  • 73
    • 0000610770 scopus 로고
    • S. Huzinaga and A.A. Cantu, J. Chem. Phys. 55 (1971) 5543; S. Huzinaga, D. McWilliams and A.A. Cantu, Adv. Quant. Chem. 7 (1973) 187.
    • (1971) J. Chem. Phys. , vol.55 , pp. 5543
    • Huzinaga, S.1    Cantu, A.A.2
  • 75
    • 0001387630 scopus 로고
    • and references to applications to ionic solids contained therein
    • J.L. Pascual and L. Seijo, J. Chem. Phys. 102 (1995) 5368 and references to applications to ionic solids contained therein.
    • (1995) J. Chem. Phys. , vol.102 , pp. 5368
    • Pascual, J.L.1    Seijo, L.2
  • 78
    • 0003231406 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Erice, Sicily, 1991, Eds. G. Pacchioni, P. Bagus and F. Parmigiani Plenum, New York
    • Z. Barandiarán and L. Seijo, in: Cluster Models for Surface and Bulk Phenomena, Proc. NATO ASI Ser., Erice, Sicily, 1991, Eds. G. Pacchioni, P. Bagus and F. Parmigiani (Plenum, New York, 1992).
    • (1992) Proc. NATO ASI Ser.
    • Barandiarán, Z.1    Seijo, L.2
  • 79
    • 36549091907 scopus 로고
    • S. Huzinaga, L. Seijo, Z. Barandiarán and M. Klobukowski, J. Chem. Phys. 86 (1987) 2132; L. Seijo, Z. Barandiarán and S. Huzinaga, J. Chem. Phys. 91 (1989) 7011; Z. Barandiarán, L. Seijo and S. Huzinaga, J. Chem. Phys. 93 (1990) 5843; Z. Barandiarán and L. Seijo, J. Chem. Phys. 101 (1994) 4049.
    • (1987) J. Chem. Phys. , vol.86 , pp. 2132
    • Huzinaga, S.1    Seijo, L.2    Barandiarán, Z.3    Klobukowski, M.4
  • 80
    • 0000838002 scopus 로고
    • S. Huzinaga, L. Seijo, Z. Barandiarán and M. Klobukowski, J. Chem. Phys. 86 (1987) 2132; L. Seijo, Z. Barandiarán and S. Huzinaga, J. Chem. Phys. 91 (1989) 7011; Z. Barandiarán, L. Seijo and S. Huzinaga, J. Chem. Phys. 93 (1990) 5843; Z. Barandiarán and L. Seijo, J. Chem. Phys. 101 (1994) 4049.
    • (1989) J. Chem. Phys. , vol.91 , pp. 7011
    • Seijo, L.1    Barandiarán, Z.2    Huzinaga, S.3
  • 81
    • 0000080665 scopus 로고
    • S. Huzinaga, L. Seijo, Z. Barandiarán and M. Klobukowski, J. Chem. Phys. 86 (1987) 2132; L. Seijo, Z. Barandiarán and S. Huzinaga, J. Chem. Phys. 91 (1989) 7011; Z. Barandiarán, L. Seijo and S. Huzinaga, J. Chem. Phys. 93 (1990) 5843; Z. Barandiarán and L. Seijo, J. Chem. Phys. 101 (1994) 4049.
    • (1990) J. Chem. Phys. , vol.93 , pp. 5843
    • Barandiarán, Z.1    Seijo, L.2    Huzinaga, S.3
  • 82
    • 0010909615 scopus 로고
    • S. Huzinaga, L. Seijo, Z. Barandiarán and M. Klobukowski, J. Chem. Phys. 86 (1987) 2132; L. Seijo, Z. Barandiarán and S. Huzinaga, J. Chem. Phys. 91 (1989) 7011; Z. Barandiarán, L. Seijo and S. Huzinaga, J. Chem. Phys. 93 (1990) 5843; Z. Barandiarán and L. Seijo, J. Chem. Phys. 101 (1994) 4049.
    • (1994) J. Chem. Phys. , vol.101 , pp. 4049
    • Barandiarán, Z.1    Seijo, L.2
  • 84
    • 0001622741 scopus 로고
    • J.L. Whitten and T.A. Pakkanen, Phys. Rev. B 21 (1980) 4357; J.L. Whitten, Phys. Rev. B 24 (1981) 1810.
    • (1981) Phys. Rev. B , vol.24 , pp. 1810
    • Whitten, J.L.1
  • 85
    • 0003631340 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
    • J.L. Whitten, in : Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser. (Plenum, New York, 1992).
    • (1992) NATO ASI Ser.
    • Whitten, J.L.1
  • 86
    • 0010505803 scopus 로고
    • and references therein
    • J.L. Whitten, Chem. Phys. 177 (1993) 387, and references therein.
    • (1993) Chem. Phys. , vol.177 , pp. 387
    • Whitten, J.L.1
  • 93
    • 0000088976 scopus 로고
    • E. Shustorovich and A.T. Bell, Surf. Sci. 205 (1988) 492; J. Catal. 113 (1988) 341.
    • (1988) J. Catal. , vol.113 , pp. 341
  • 94
    • 0038829400 scopus 로고
    • Eds. D.D. Eley, H. Pines and P.B. Weisz Academic Press, San Diego, CA
    • E. Shustorovich, in: Advances in Catalysis, Vol. 37, Eds. D.D. Eley, H. Pines and P.B. Weisz (Academic Press, San Diego, CA, 1990) p. 101.
    • (1990) Advances in Catalysis , vol.37 , pp. 101
    • Shustorovich, E.1
  • 95
    • 0346927956 scopus 로고
    • R.J. Hoffmann, J. Chem. Phys. 39 (1963) 1397; R.J. Hoffmann, Solids and Surfaces: A Chemist's View of Bonding in Extended Structures (VCH, New York, 1988).
    • (1963) J. Chem. Phys. , vol.39 , pp. 1397
    • Hoffmann, R.J.1
  • 97
    • 33947094811 scopus 로고
    • M.-H. Whangbo and R.J. Hoffmann, J. Am. Chem. Soc. 100 (1978) 6093; M.-H. Whangbo, in: Crystal Chemistry and Properties of Materials with Quasi-One Dimensional Structures, Ed. J. Rouxel (Reidel, Dordrecht, 1986) p. 27.
    • (1978) J. Am. Chem. Soc. , vol.100 , pp. 6093
    • Whangbo, M.-H.1    Hoffmann, R.J.2
  • 105
    • 0024716562 scopus 로고
    • A.B. Anderson and S.J. Choe, J. Phys. Chem. 93 (1989) 6145; A.B. Anderson and J.J. Maloney, J. Phys. Chem. 92 (1988) 809; A.B. Anderson, J. Chem. Phys. 62 (1975) 1187.
    • (1989) J. Phys. Chem. , vol.93 , pp. 6145
    • Anderson, A.B.1    Choe, S.J.2
  • 106
    • 33845278452 scopus 로고
    • A.B. Anderson and S.J. Choe, J. Phys. Chem. 93 (1989) 6145; A.B. Anderson and J.J. Maloney, J. Phys. Chem. 92 (1988) 809; A.B. Anderson, J. Chem. Phys. 62 (1975) 1187.
    • (1988) J. Phys. Chem. , vol.92 , pp. 809
    • Anderson, A.B.1    Maloney, J.J.2
  • 107
    • 36749104686 scopus 로고
    • A.B. Anderson and S.J. Choe, J. Phys. Chem. 93 (1989) 6145; A.B. Anderson and J.J. Maloney, J. Phys. Chem. 92 (1988) 809; A.B. Anderson, J. Chem. Phys. 62 (1975) 1187.
    • (1975) J. Chem. Phys. , vol.62 , pp. 1187
    • Anderson, A.B.1
  • 133
    • 4243259894 scopus 로고
    • C.F. Melius, T.H. Upton and W.A. Goddard III, Solid State Commun. 28 (1978) 501; T.H. Upton and W.A. Goddard III, Phys. Rev. Lett. 46 (1981) 1635.
    • (1981) Phys. Rev. Lett. , vol.46 , pp. 1635
    • Upton, T.H.1    Goddard W.A. III2
  • 136
    • 0042253287 scopus 로고    scopus 로고
    • note
    • See embedded cluster studies by Whitten, Yang and coworkers.
  • 144
    • 0003875668 scopus 로고
    • G. Pacchioni, Theor. Chim. Acta 62 (1983) 461; G. Pacchioni, J. Koutecky and H. Beckmann, Surf. Sci. 144 (1984) 602.
    • (1983) Theor. Chim. Acta , vol.62 , pp. 461
    • Pacchioni, G.1
  • 167
    • 4243216574 scopus 로고
    • D.-S. Wang, A.J. Freeman and H. Krakauer, Phys. Rev. B 24 (1981) 3092; 24 (1981) 3104.
    • (1981) Phys. Rev. B , vol.24 , pp. 3104
  • 180
    • 0042754543 scopus 로고
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani Plenum, New York
    • J.D. Head, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani (Plenum, New York, 1992) p. 415.
    • (1992) Cluster Models for Surface and Bulk Phenomena , pp. 415
    • Head, J.D.1
  • 186
    • 0043255701 scopus 로고
    • J.C. Boettger, U. Birkenheuer, S. Krüger, N. Rösch and S.B. Trickey, Phys. Rev. B 52 (1995) 2025; B. Reichert and N. Rösch, Z. Phys. B 89 (1992) 355.
    • (1992) Z. Phys. B , vol.89 , pp. 355
    • Reichert, B.1    Rösch, N.2
  • 214
    • 84990642429 scopus 로고
    • Calculations were performed using density functional programs by E.J. Baerends, P.M. Boerrigter and G. te Velde, Int. J. Quant. Chem. 33 (1988) 87, and DGAUSS, authored by J. Andzelm and E. Wimmer, J. Chem. Phys. 96 (1992) 1280.
    • (1988) Int. J. Quant. Chem. , vol.33 , pp. 87
    • Baerends, E.J.1    Boerrigter, P.M.2    Te Velde, G.3
  • 215
    • 3342922190 scopus 로고
    • Calculations were performed using density functional programs by E.J. Baerends, P.M. Boerrigter and G. te Velde, Int. J. Quant. Chem. 33 (1988) 87, and DGAUSS, authored by J. Andzelm and E. Wimmer, J. Chem. Phys. 96 (1992) 1280.
    • (1992) J. Chem. Phys. , vol.96 , pp. 1280
    • Andzelm, J.1    Wimmer, E.2
  • 241
    • 0001746233 scopus 로고
    • Eds. D.A. King and D.P. Woodruff Elsevier, Amsterdam
    • See a recent review on the adsorption of carbon monoxide by the transition metals by J.C. Campuzano, in: The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis, Vol. 3A, Eds. D.A. King and D.P. Woodruff (Elsevier, Amsterdam, 1990) p. 389.
    • (1990) The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis , vol.3 A , pp. 389
    • Campuzano, J.C.1
  • 244
    • 84981778017 scopus 로고
    • R.B. Woodward and R. Hoffmann, Ang. Chem. Int. Ed. Engl. 8 (1969) 781. See also T. A. Albright, J.K. Burdett and M.H. Whangbo, Orbital Interactions in Chemistry (Wiley, New York, 1985).
    • (1969) Ang. Chem. Int. Ed. Engl. , vol.8 , pp. 781
    • Woodward, R.B.1    Hoffmann, R.2
  • 246
    • 4243656226 scopus 로고
    • D.M. Newns, Phys. Rev. 178 (1969) 1123; P.W. Anderson, Phys. Rev. 124 (1964) 41; T.B. Grimley, CRC Crit. Rev. Solid State Sci. 239 (1976).
    • (1969) Phys. Rev. , vol.178 , pp. 1123
    • Newns, D.M.1
  • 247
    • 2842617037 scopus 로고
    • D.M. Newns, Phys. Rev. 178 (1969) 1123; P.W. Anderson, Phys. Rev. 124 (1964) 41; T.B. Grimley, CRC Crit. Rev. Solid State Sci. 239 (1976).
    • (1964) Phys. Rev. , vol.124 , pp. 41
    • Anderson, P.W.1
  • 252
    • 0003631340 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
    • G. Blyholder and H. Sellers, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 321.
    • (1992) NATO ASI Ser. , vol.283 , pp. 321
    • Blyholder, G.1    Sellers, H.2
  • 257
    • 0003231406 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
    • P.E. Siegbahn, M.A. Nygren and U. Wahlgren, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 267.
    • (1992) NATO ASI Ser. , vol.283 , pp. 267
    • Siegbahn, P.E.1    Nygren, M.A.2    Wahlgren, U.3
  • 258
    • 0009717408 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
    • K. Hermann, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 209.
    • (1992) NATO ASI Ser. , vol.283 , pp. 209
    • Hermann, K.1
  • 267
    • 0003231406 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
    • N. Rösch, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 251.
    • (1992) NATO ASI Ser. , vol.283 , pp. 251
    • Rösch, N.1
  • 274
    • 0003631340 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
    • R.A. van Santen and M.C. Zonnevylle, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 293.
    • (1992) NATO ASI Ser. , vol.283 , pp. 293
    • Van Santen, R.A.1    Zonnevylle, M.C.2
  • 280
    • 0003231406 scopus 로고
    • Cluster models for surface and bulk phenomena
    • Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, Plenum, New York
    • G. Pacchioni and P.S. Bagus, in: Cluster Models for Surface and Bulk Phenomena, Eds. G. Pacchioni, P.S. Bagus and F. Parmigiani, NATO ASI Ser., Vol. 283 (Plenum, New York, 1992) p. 305.
    • (1992) NATO ASI Ser. , vol.283 , pp. 305
    • Pacchioni, G.1    Bagus, P.S.2
  • 297
    • 0040854410 scopus 로고
    • F. Illas, J. Rubio and J.M. Ricart, in: Studies in Physical and Theoretical Chemistry, Vol. 62, Ed. R. Carb (Elsevier, Amsterdam, 1989); F. Illas, J. Rubio and J.M. Ricart, J. Chem. Phys. 88 (1988) 260.
    • (1988) J. Chem. Phys. , vol.88 , pp. 260
    • Illas, F.1    Rubio, J.2    Ricart, J.M.3
  • 307
    • 21144466827 scopus 로고
    • M.G. Ramsey, D. Steinmüller, F.P. Netzer, S. Köstlmeier, J. Lauber and N. Rösch, Surf. Sci. 307-309 (1994) 82; L. Ackermann and N. Rösch, Chem. Phys. 168 (1992) 259.
    • (1992) Chem. Phys. , vol.168 , pp. 259
    • Ackermann, L.1    Rösch, N.2
  • 316
    • 0000222426 scopus 로고
    • H. Yang and J.L. Whitten, J. Am. Chem. Soc. 113 (1991) 6442; J. Chem. Phys. 91 (1989) 126; Surf. Sci. 255 (1991) 193.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 6442
    • Yang, H.1    Whitten, J.L.2
  • 317
    • 36549092663 scopus 로고
    • H. Yang and J.L. Whitten, J. Am. Chem. Soc. 113 (1991) 6442; J. Chem. Phys. 91 (1989) 126; Surf. Sci. 255 (1991) 193.
    • (1989) J. Chem. Phys. , vol.91 , pp. 126
  • 318
    • 0026221664 scopus 로고
    • H. Yang and J.L. Whitten, J. Am. Chem. Soc. 113 (1991) 6442; J. Chem. Phys. 91 (1989) 126; Surf. Sci. 255 (1991) 193.
    • (1991) Surf. Sci. , vol.255 , pp. 193
  • 320
    • 36549092546 scopus 로고
    • J. Schule, I. Panas, P. Siegbahn and U. Wahlgren, J. Mol. Struct. (Theochem) 170 (1988) 151; J. Schule, P. Siegbahn and U. Wahlgren, J. Chem. Phys. 89 (1988) 6982.
    • (1988) J. Chem. Phys. , vol.89 , pp. 6982
    • Schule, J.1    Siegbahn, P.2    Wahlgren, U.3
  • 330
    • 0037582194 scopus 로고
    • S.M. Gates, J.N. Russell, Jr. and J.T. Yates, Jr., Surf. Sci. 146 (1984) 199; 159 (1984) 233.
    • (1984) Surf. Sci. , vol.159 , pp. 233
  • 343
    • 0026930111 scopus 로고
    • K. Hermann and C. Meyer, Surf. Sci. 269/270 (1992) 326; 277 (1992) 377.
    • (1992) Surf. Sci. , vol.277 , pp. 377
  • 346
    • 0000030815 scopus 로고
    • Ed. C. Kemball The Chemical Society, London
    • P.C.H. Mitchell, in: Catalysis, Ed. C. Kemball (The Chemical Society, London, 1977) Vol. 1, p. 223; Vol. 4, p. 203.
    • (1977) Catalysis , vol.1 , pp. 223
    • Mitchell, P.C.H.1
  • 347
    • 84914186235 scopus 로고    scopus 로고
    • P.C.H. Mitchell, in: Catalysis, Ed. C. Kemball (The Chemical Society, London, 1977) Vol. 1, p. 223; Vol. 4, p. 203.
    • Catalysis , vol.4 , pp. 203
  • 366
    • 0000650212 scopus 로고
    • J.T. Roberts and C.M. Friend, J. Am. Chem. Soc. 108 (1986) 7204; 109 (1987) 3872.
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 3872
  • 382
    • 26744469078 scopus 로고
    • W. Huber, H.P. Steinruck, T. Pache and D. Menzel, Surf. Sci. 217 (1989) 103; 218 (1989) 293.
    • (1989) Surf. Sci. , vol.218 , pp. 293
  • 397
    • 0039166169 scopus 로고
    • M.C. Zonnevylle, J.J.C. Geerlings and R.A. van Santen, J. Catal. 148 (1994) 417; Surf. Sci. 240 (1990) 253.
    • (1990) Surf. Sci. , vol.240 , pp. 253
  • 408
    • 0000961767 scopus 로고
    • M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, B. Reichert, U. Birkenheuer and N. Rösch, Phys. Rev. B 46 (1992) 1675; Surf. Sci. 271 (1992) 539; M. Weinelt, P. Zebisch, W. Huber, M. Pabst, U. Birkenheuer, B. Reichert, N. Rösch and H.-P. Steinrück, in: Proc. Symp. on Surface Science, La Plagne, 1992, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre, pp. 276-279; U. Gutdeutsch, E. Bertel, E. Cramer, J.C. Boettger, U. Birkenheuer and N. Rösch, Surf. Sci. 345 (1996) 331.
    • (1992) Phys. Rev. B , vol.46 , pp. 1675
    • Weinelt, M.1    Huber, W.2    Zebisch, P.3    Steinrück, H.-P.4    Reichert, B.5    Birkenheuer, U.6    Rösch, N.7
  • 409
    • 0026881999 scopus 로고
    • M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, B. Reichert, U. Birkenheuer and N. Rösch, Phys. Rev. B 46 (1992) 1675; Surf. Sci. 271 (1992) 539; M. Weinelt, P. Zebisch, W. Huber, M. Pabst, U. Birkenheuer, B. Reichert, N. Rösch and H.-P. Steinrück, in: Proc. Symp. on Surface Science, La Plagne, 1992, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre, pp. 276-279; U. Gutdeutsch, E. Bertel, E. Cramer, J.C. Boettger, U. Birkenheuer and N. Rösch, Surf. Sci. 345 (1996) 331.
    • (1992) Surf. Sci. , vol.271 , pp. 539
  • 410
    • 0000961767 scopus 로고
    • La Plagne, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre
    • M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, B. Reichert, U. Birkenheuer and N. Rösch, Phys. Rev. B 46 (1992) 1675; Surf. Sci. 271 (1992) 539; M. Weinelt, P. Zebisch, W. Huber, M. Pabst, U. Birkenheuer, B. Reichert, N. Rösch and H.-P. Steinrück, in: Proc. Symp. on Surface Science, La Plagne, 1992, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre, pp. 276-279; U. Gutdeutsch, E. Bertel, E. Cramer, J.C. Boettger, U. Birkenheuer and N. Rösch, Surf. Sci. 345 (1996) 331.
    • (1992) Proc. Symp. on Surface Science , pp. 276-279
    • Weinelt, M.1    Zebisch, P.2    Huber, W.3    Pabst, M.4    Birkenheuer, U.5    Reichert, B.6    Rösch, N.7    Steinrück, H.-P.8
  • 411
    • 0029769838 scopus 로고    scopus 로고
    • M. Weinelt, W. Huber, P. Zebisch, H.-P. Steinrück, B. Reichert, U. Birkenheuer and N. Rösch, Phys. Rev. B 46 (1992) 1675; Surf. Sci. 271 (1992) 539; M. Weinelt, P. Zebisch, W. Huber, M. Pabst, U. Birkenheuer, B. Reichert, N. Rösch and H.-P. Steinrück, in: Proc. Symp. on Surface Science, La Plagne, 1992, Eds. M. Alnot, J.J. Ehrhardt, C. Launois, B. Mutaftschiev und M.R. Temphre, pp. 276-279; U. Gutdeutsch, E. Bertel, E. Cramer, J.C. Boettger, U. Birkenheuer and N. Rösch, Surf. Sci. 345 (1996) 331.
    • (1996) Surf. Sci. , vol.345 , pp. 331
    • Gutdeutsch, U.1    Bertel, E.2    Cramer, E.3    Boettger, J.C.4    Birkenheuer, U.5    Rösch, N.6
  • 433
    • 24044527822 scopus 로고
    • D.J.M. Fassaert and A. van der Avoird, Surf. Sci. 55 (1976) 291; 55 (1976) 313.
    • (1976) Surf. Sci. , vol.55 , pp. 313
  • 439
    • 0042253215 scopus 로고
    • Eds. M.A. Van Hove and S.Y. Tong Springer, Berlin
    • S. Holloway and J.K. Nørskov, in: The Structure of Surfaces, Eds. M.A. Van Hove and S.Y. Tong (Springer, Berlin, 1985) pp. 18-28.
    • (1985) The Structure of Surfaces , pp. 18-28
    • Holloway, S.1    Nørskov, J.K.2
  • 484
    • 0041752616 scopus 로고    scopus 로고
    • preprint of work to be published
    • S.J. Riley, preprint of work to be published.
    • Riley, S.J.1
  • 485
    • 0006975635 scopus 로고
    • Eds. J.R. Anderson and M. Boudart Springer, Berlin
    • J.R. Rostrup-Nielsen, in: Catalysis - Science, Vol. 5, Eds. J.R. Anderson and M. Boudart (Springer, Berlin, 1984).
    • (1984) Catalysis - Science , vol.5
    • Rostrup-Nielsen, J.R.1
  • 492
  • 522
  • 536
    • 77956930557 scopus 로고
    • Structure-activity and selectivity relationships in heterogeneous catalysis
    • Eds. R.K. Graselli and A.W. Sleight
    • A.P.J. Jansen and R.A. van Santen, in : Structure-Activity and Selectivity Relationships in Heterogeneous Catalysis, Eds. R.K. Graselli and A.W. Sleight, Stud. Surf. Sci. Catal. 68 (1991) 221.
    • (1991) Stud. Surf. Sci. Catal. , vol.68 , pp. 221
    • Jansen, A.P.J.1    Van Santen, R.A.2
  • 559
    • 0003677913 scopus 로고
    • Eds. C.T. Rettner and M.N.R. Ashfold Royal Society of Chemistry, London
    • S. Holloway, in: Dynamics of Gas-Surface Interactions, Eds. C.T. Rettner and M.N.R. Ashfold (Royal Society of Chemistry, London, 1991).
    • (1991) Dynamics of Gas-Surface Interactions
    • Holloway, S.1
  • 560
    • 0003677913 scopus 로고
    • Eds. C.T. Rettner and M.N.R. Ashfold Royal Society of Chemistry, London
    • A.E. DePristo, in: Dynamics of Gas-Surface Interactions, Eds. C.T. Rettner and M.N.R. Ashfold (Royal Society of Chemistry, London, 1991).
    • (1991) Dynamics of Gas-Surface Interactions
    • DePristo, A.E.1
  • 566
    • 0001744163 scopus 로고
    • J.G. Lauderdale and D.G. Truhlar, Surf. Sci. 164 (1985) 558; J. Chem. Phys. 84 (1986) 1843.
    • (1986) J. Chem. Phys. , vol.84 , pp. 1843
  • 568
    • 0007074844 scopus 로고
    • T.N. Truong and D.G. Truhlar, J. Phys. Chem. 91 (1987) 6229; J. Chem. Phys. 88 (1988) 6611.
    • (1988) J. Chem. Phys. , vol.88 , pp. 6611


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