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Volumn 122, Issue 18, 2005, Pages

Lifting the Pt{100} surface reconstruction through oxygen adsorption: A density functional theory analysis

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); PHASE STABILITY; SURFACE RECONSTRUCTION; THERMOCHEMICAL ANALYSIS;

EID: 18844427001     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1893718     Document Type: Article
Times cited : (37)

References (50)
  • 2
    • 0040181307 scopus 로고
    • 0031-9007 10.1103/PhysRevLett.49.177
    • G. Ertl, P. R. Norton, and J. Rustig, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.49.177 49, 177 (1982); R. Imbihl, M. P. Cox, and G. Ertl, J. Chem. Phys. 0021-9606 10.1063/1.450238 84, 3519 (1986); M. P. Cox, G. Ertl, and R. Imbihl, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.54.1725 54, 1725 (1985); V. V. Gorodetskii and W. Drachsel, Appl. Catal., A 0926-860X 10.1016/S0926-860X(99)00212-4 188, 267 (1999); T. Lele and J. Lauterbach, Chaos 12, 164 (2002).
    • (1982) Phys. Rev. Lett. , vol.49 , pp. 177
    • Ertl, G.1    Norton, P.R.2    Rustig, J.3
  • 3
    • 0041593400 scopus 로고
    • 0021-9606 10.1063/1.450238
    • G. Ertl, P. R. Norton, and J. Rustig, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.49.177 49, 177 (1982); R. Imbihl, M. P. Cox, and G. Ertl, J. Chem. Phys. 0021-9606 10.1063/1.450238 84, 3519 (1986); M. P. Cox, G. Ertl, and R. Imbihl, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.54.1725 54, 1725 (1985); V. V. Gorodetskii and W. Drachsel, Appl. Catal., A 0926-860X 10.1016/S0926-860X(99)00212-4 188, 267 (1999); T. Lele and J. Lauterbach, Chaos 12, 164 (2002).
    • (1986) J. Chem. Phys. , vol.84 , pp. 3519
    • Imbihl, R.1    Cox, M.P.2    Ertl, G.3
  • 4
    • 0001224822 scopus 로고
    • 0031-9007 10.1103/PhysRevLett.54.1725
    • G. Ertl, P. R. Norton, and J. Rustig, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.49.177 49, 177 (1982); R. Imbihl, M. P. Cox, and G. Ertl, J. Chem. Phys. 0021-9606 10.1063/1.450238 84, 3519 (1986); M. P. Cox, G. Ertl, and R. Imbihl, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.54.1725 54, 1725 (1985); V. V. Gorodetskii and W. Drachsel, Appl. Catal., A 0926-860X 10.1016/S0926-860X(99)00212-4 188, 267 (1999); T. Lele and J. Lauterbach, Chaos 12, 164 (2002).
    • (1985) Phys. Rev. Lett. , vol.54 , pp. 1725
    • Cox, M.P.1    Ertl, G.2    Imbihl, R.3
  • 5
    • 0033527868 scopus 로고    scopus 로고
    • 0926-860X 10.1016/S0926-860X(99)00212-4
    • G. Ertl, P. R. Norton, and J. Rustig, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.49.177 49, 177 (1982); R. Imbihl, M. P. Cox, and G. Ertl, J. Chem. Phys. 0021-9606 10.1063/1.450238 84, 3519 (1986); M. P. Cox, G. Ertl, and R. Imbihl, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.54.1725 54, 1725 (1985); V. V. Gorodetskii and W. Drachsel, Appl. Catal., A 0926-860X 10.1016/S0926-860X(99)00212-4 188, 267 (1999); T. Lele and J. Lauterbach, Chaos 12, 164 (2002).
    • (1999) Appl. Catal., a , vol.188 , pp. 267
    • Gorodetskii, V.V.1    Drachsel, W.2
  • 6
    • 0036489714 scopus 로고    scopus 로고
    • G. Ertl, P. R. Norton, and J. Rustig, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.49.177 49, 177 (1982); R. Imbihl, M. P. Cox, and G. Ertl, J. Chem. Phys. 0021-9606 10.1063/1.450238 84, 3519 (1986); M. P. Cox, G. Ertl, and R. Imbihl, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.54.1725 54, 1725 (1985); V. V. Gorodetskii and W. Drachsel, Appl. Catal., A 0926-860X 10.1016/S0926-860X(99)00212-4 188, 267 (1999); T. Lele and J. Lauterbach, Chaos 12, 164 (2002).
    • (2002) Chaos , vol.12 , pp. 164
    • Lele, T.1    Lauterbach, J.2
  • 14
    • 0001491979 scopus 로고
    • 0163-1829 10.1103/PhysRevB.32.6214
    • K. Heinz, G. Schmidt, L. Hammer, and K. Muller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.6214 32, 6214 (1985); N. Bickel and K. Heinz, Surf. Sci. 163, 435 (1985).
    • (1985) Phys. Rev. B , vol.32 , pp. 6214
    • Heinz, K.1    Schmidt, G.2    Hammer, L.3    Muller, K.4
  • 15
    • 0001196438 scopus 로고
    • K. Heinz, G. Schmidt, L. Hammer, and K. Muller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.32.6214 32, 6214 (1985); N. Bickel and K. Heinz, Surf. Sci. 163, 435 (1985).
    • (1985) Surf. Sci. , vol.163 , pp. 435
    • Bickel, N.1    Heinz, K.2
  • 22
    • 4244219296 scopus 로고    scopus 로고
    • 0039-6028 10.1016/S0039-6028(96)01374-X
    • A. Filippetti and V. Fiorentini, Surf. Sci. 0039-6028 10.1016/S0039-6028(96)01374-X 377, 112 (1997); A. Filippetti and V. Fiorentini, Phys. Rev. B 0163-1829 10.1103/PhysRevB.61.8433 61, 8433 (2000); A. Filippetti and V. Fiorentini, Comput. Mater. Sci. 20, 423 (2001).
    • (1997) Surf. Sci. , vol.377 , pp. 112
    • Filippetti, A.1    Fiorentini, V.2
  • 23
    • 0000766267 scopus 로고    scopus 로고
    • 0163-1829 10.1103/PhysRevB.61.8433
    • A. Filippetti and V. Fiorentini, Surf. Sci. 0039-6028 10.1016/S0039-6028(96)01374-X 377, 112 (1997); A. Filippetti and V. Fiorentini, Phys. Rev. B 0163-1829 10.1103/PhysRevB.61.8433 61, 8433 (2000); A. Filippetti and V. Fiorentini, Comput. Mater. Sci. 20, 423 (2001).
    • (2000) Phys. Rev. B , vol.61 , pp. 8433
    • Filippetti, A.1    Fiorentini, V.2
  • 24
    • 0034912471 scopus 로고    scopus 로고
    • A. Filippetti and V. Fiorentini, Surf. Sci. 0039-6028 10.1016/S0039-6028(96)01374-X 377, 112 (1997); A. Filippetti and V. Fiorentini, Phys. Rev. B 0163-1829 10.1103/PhysRevB.61.8433 61, 8433 (2000); A. Filippetti and V. Fiorentini, Comput. Mater. Sci. 20, 423 (2001).
    • (2001) Comput. Mater. Sci. , vol.20 , pp. 423
    • Filippetti, A.1    Fiorentini, V.2
  • 29
    • 0043184160 scopus 로고
    • 0022-3719
    • D. W. Bullett and M. L. Cohen, J. Phys. C 0022-3719 10, 2101 (1977); G. A. Benesh and L. S. G. Liyanage, Surf. Sci. 261, 207 (1992).
    • (1977) J. Phys. C , vol.10 , pp. 2101
    • Bullett, D.W.1    Cohen, M.L.2
  • 30
    • 0026692352 scopus 로고
    • D. W. Bullett and M. L. Cohen, J. Phys. C 0022-3719 10, 2101 (1977); G. A. Benesh and L. S. G. Liyanage, Surf. Sci. 261, 207 (1992).
    • (1992) Surf. Sci. , vol.261 , pp. 207
    • Benesh, G.A.1    Liyanage, L.S.G.2
  • 33
    • 12844286241 scopus 로고
    • 0163-1829 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994); G. Kresse and J. Furthmuller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996); G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 34
    • 27744460065 scopus 로고
    • 0163-1829 10.1103/PhysRevB.49.14251
    • G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994); G. Kresse and J. Furthmuller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996); G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
    • (1994) Phys. Rev. B , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 35
    • 2442537377 scopus 로고    scopus 로고
    • 0163-1829 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994); G. Kresse and J. Furthmuller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996); G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmuller, J.2
  • 36
    • 0030190741 scopus 로고    scopus 로고
    • G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993); G. Kresse and J. Hafner, Phys. Rev. B 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994); G. Kresse and J. Furthmuller, Phys. Rev. B 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996); G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15
    • Kresse, G.1    Furthmuller, J.2
  • 45
    • 0842348127 scopus 로고    scopus 로고
    • 0021-9517 10.1016/j.jcat.2003.10.016
    • C. Arrouvel, M. Digne, M. Breysse, H. Toulhoat, and P. Raybaud, J. Catal. 0021-9517 10.1016/j.jcat.2003.10.016 222, 152 (2004); K. Reuter and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.90.046103 90, 046103 (2003); K. Sohlberg, S. T. Pantelides, and S. J. Pennycook, J. Am. Chem. Soc. 0002-7863 10.1021/ja004008k 123, 6609 (2001); B. L. Trout, A. K. Chakraborty, and A. T. Bell, J. Phys. Chem. 100, 17582 (1996).
    • (2004) J. Catal. , vol.222 , pp. 152
    • Arrouvel, C.1    Digne, M.2    Breysse, M.3    Toulhoat, H.4    Raybaud, P.5
  • 46
    • 4244042114 scopus 로고    scopus 로고
    • 0031-9007 10.1103/PhysRevLett.90.046103
    • C. Arrouvel, M. Digne, M. Breysse, H. Toulhoat, and P. Raybaud, J. Catal. 0021-9517 10.1016/j.jcat.2003.10.016 222, 152 (2004); K. Reuter and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.90.046103 90, 046103 (2003); K. Sohlberg, S. T. Pantelides, and S. J. Pennycook, J. Am. Chem. Soc. 0002-7863 10.1021/ja004008k 123, 6609 (2001); B. L. Trout, A. K. Chakraborty, and A. T. Bell, J. Phys. Chem. 100, 17582 (1996).
    • (2003) Phys. Rev. Lett. , vol.90 , pp. 046103
    • Reuter, K.1    Scheffler, M.2
  • 47
    • 0034803318 scopus 로고    scopus 로고
    • 0002-7863 10.1021/ja004008k
    • C. Arrouvel, M. Digne, M. Breysse, H. Toulhoat, and P. Raybaud, J. Catal. 0021-9517 10.1016/j.jcat.2003.10.016 222, 152 (2004); K. Reuter and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.90.046103 90, 046103 (2003); K. Sohlberg, S. T. Pantelides, and S. J. Pennycook, J. Am. Chem. Soc. 0002-7863 10.1021/ja004008k 123, 6609 (2001); B. L. Trout, A. K. Chakraborty, and A. T. Bell, J. Phys. Chem. 100, 17582 (1996).
    • (2001) J. Am. Chem. Soc. , vol.123 , pp. 6609
    • Sohlberg, K.1    Pantelides, S.T.2    Pennycook, S.J.3
  • 48
    • 33748392867 scopus 로고    scopus 로고
    • C. Arrouvel, M. Digne, M. Breysse, H. Toulhoat, and P. Raybaud, J. Catal. 0021-9517 10.1016/j.jcat.2003.10.016 222, 152 (2004); K. Reuter and M. Scheffler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.90.046103 90, 046103 (2003); K. Sohlberg, S. T. Pantelides, and S. J. Pennycook, J. Am. Chem. Soc. 0002-7863 10.1021/ja004008k 123, 6609 (2001); B. L. Trout, A. K. Chakraborty, and A. T. Bell, J. Phys. Chem. 100, 17582 (1996).
    • (1996) J. Phys. Chem. , vol.100 , pp. 17582
    • Trout, B.L.1    Chakraborty, A.K.2    Bell, A.T.3


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