CHEMISORPTION THEORY FOR METALLIC SURFACES - ELECTRON LOCALIZATION AND THE DESCRIPTION OF SURFACE INTERACTIONS

被引：164

作者：

WHITTEN, JL ^{[1
]}

PAKKANEN, TA ^{[1
]}

机构：

[1] UNIV JOENSUU, DEPT CHEM, SF-80101 JOENSUU 10, FINLAND

来源：

PHYSICAL REVIEW B | 1980年 / 21卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.21.4357

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：4357 / 4367

页数：11

共 60 条

[1] MOLECULAR-ORBITAL STUDIES OF DISSOCIATIVE CHEMISORPTION OF FIRST PERIOD DIATOMIC-MOLECULES AND ETHYLENE ON (100) W AND NI SURFACES [J].

ANDERSON, AB ;

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (11) :4545-4559

[2] ELECTRONIC-STRUCTURE OF SOLID-SURFACES [J].

APPELBAUM, JA ;

HAMANN, DR .

REVIEWS OF MODERN PHYSICS, 1976, 48 (03) :479-496

[3]

BARRYKUNZ A, 1978, PHYS REV B, V17, P4614

[4] MODEL STUDY IN CHEMISORPTION - MOLECULAR-ORBITAL CLUSTER THEORY FOR ATOMIC-HYDROGEN ON BE(0001) [J].

BAUSCHLICHER, CW ;

BAGUS, PS ;

SCHAEFER, HF .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1978, 22 (03) :213-234

[5] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

BUTSCHER, W .

MOLECULAR PHYSICS, 1978, 35 (03) :771-791

[6] LOCALIZED ORBITAL APPROACH TO CHEMISORPTION-II - H, O AND CO ON NI AND PT (001) [J].

BULLETT, DW ;

COHEN, ML .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (12) :2101-2113

[7] LOCALIZED ORBITAL APPROACH TO CHEMISORPTION-I - H ON W(100) [J].

BULLETT, DW ;

COHEN, ML .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (12) :2083-2099

[8] SELF-CONSISTENT PSEUDOPOTENTIAL METHOD FOR LOCALIZED CONFIGURATIONS - MOLECULES [J].

COHEN, ML ;

SCHLUTER, M ;

CHELIKOWSKY, JR ;

LOUIE, SG .

PHYSICAL REVIEW B, 1975, 12 (12) :5575-5579

[9] CALCULATION OF CHEMISORPTION ENERGIES OF OXYGEN ON NARROW-GAP SEMICONDUCTORS [J].

DAVISON, SG ;

HUANG, YS .

SOLID STATE COMMUNICATIONS, 1974, 15 (05) :863-866

[10] EXTENDED-HUCKEL STUDY OF (111), (100), AND (110) SURFACES OF COPPER [J].

DEMPSEY, DG ;

KLEINMAN, L .

PHYSICAL REVIEW B, 1977, 16 (12) :5356-5366

← 1 2 3 4 5 6 →