Electronic factors determining the reactivity of metal surfaces
Tài liệu tham khảo
Feibelman, 1984, Phys. Rev. Lett., 52, 61, 10.1103/PhysRevLett.52.61
Feibelman, 1985, Surf Sci., 149, 48, 10.1016/S0039-6028(85)80012-1
Falicov, 1985, 82, 2207
Yang, 1985, 82, 6723
Harris, 1985, Phys. Rev. Lett., 55, 1583, 10.1103/PhysRevLett.55.1583
Fukui, 1952, J. Chem. Phys., 20, 722, 10.1063/1.1700523
Parr, 1989
Cohen, 1994, Phys. Rev. Lett., 72, 3222, 10.1103/PhysRevLett.72.3222
Cohen, 1994, J. Chem. Phys., 101, 8988, 10.1063/1.468026
Hoffmann, 1988, Rev. Mod. Phys., 60, 601, 10.1103/RevModPhys.60.601
Lundqvist, 1979, Surf Sci., 89, 196, 10.1016/0039-6028(79)90608-3
Holloway, 1984, Vol. 4, 85
Nørskov, 1990, Rep. Prog. Phys., 53, 1253, 10.1088/0034-4885/53/10/001
Hammer, 1995, Phys. Rev. Lett., 74, 3487, 10.1103/PhysRevLett.74.3487
Hammer, 1995, Nature, 376, 238, 10.1038/376238a0
Jacobsen, 1987, Phys. Rev. B, 35, 7423, 10.1103/PhysRevB.35.7423
Ceperley, 1980, Phys. Rev. Lett., 45, 566, 10.1103/PhysRevLett.45.566
Perdew, 1981, Phys. Rev. B, 23, 5048, 10.1103/PhysRevB.23.5048
Perdew, 1992, Phys. Rev. B, 46, 6671, 10.1103/PhysRevB.46.6671
Hammer, 1994, Phys. Rev. Lett., 73, 1400, 10.1103/PhysRevLett.73.1400
White, 1994, Phys. Rev. Lett., 73, 1404, 10.1103/PhysRevLett.73.1404
Philipsen, 1994, Chem. Phys. Lett., 226, 583, 10.1016/0009-2614(94)00735-7
Hu, 1994, Chem. Phys. Lett., 230, 501, 10.1016/0009-2614(94)01184-2
Gross, 1994, Phys. Rev. Lett., 73, 3121, 10.1103/PhysRevLett.73.3121
Linke, 1994, Surf Sci., 307–309, 407, 10.1016/0039-6028(94)90427-8
Jona, 1988, 90
Neugebauer, 1992, Phys. Rev. B, 46, 16067, 10.1103/PhysRevB.46.16067
Payne, 1992, Rev. Mod. Phys., 64, 1045, 10.1103/RevModPhys.64.1045
Gillan, 1989, J. Phys.: Condens. Matter, 1, 689
Chadi, 1973, Phys. Rev. B, 8, 5747, 10.1103/PhysRevB.8.5747
Cunningham, 1974, Phys. Rev. B, 10, 4988, 10.1103/PhysRevB.10.4988
Bachelet, 1982, Phys. Rev. B, 26, 4199, 10.1103/PhysRevB.26.4199
Troullier, 1991, Phys. Rev. B, 43, 1993, 10.1103/PhysRevB.43.1993
Michelsen, 1992, Phys. Rev. Lett., 69, 2678, 10.1103/PhysRevLett.69.2678
Michelsen, 1993, J. Chem. Phys., 98, 8294, 10.1063/1.464535
Berger, 1991, Surf Sci., 253, 325, 10.1016/0039-6028(91)90603-P
Christmann, 1988, Surf Sci. Rep., 9, 1, 10.1016/0167-5729(88)90009-X
Brown, 1991, J. Chem. Phys., 95, 3767, 10.1063/1.460827
Nørskov, 1989, 253
Andersen, 1985, Highlights of Condensed Matter Theory LXXXIX Corso Soc. Italiania di Fisica, Bologna, 59
Nørskov, 1981, Phys. Rev. Lett., 46, 257, 10.1103/PhysRevLett.46.257
Hammer, 1993, Phys. Rev. Lett., 70, 3971, 10.1103/PhysRevLett.70.3971
Gundersen, 1994, Surf Sci., 304, 131, 10.1016/0039-6028(94)90759-5
Bird, 1993, Chem. Phys. Lett., 212, 518, 10.1016/0009-2614(93)87239-Y
Newns, 1969, Phys. Rev., 178, 1123, 10.1103/PhysRev.178.1123
Nordlander, 1984, Surf Sci., 136, 59, 10.1016/0039-6028(84)90655-1
Nørskov, 1989, J. Chem. Phys., 90, 7461, 10.1063/1.456679