THEORETICAL-STUDIES OF THE DISSOCIATIVE ADSORPTION OF H-2 ON NI(001) USING ABINITIO PARAMETERIZED LEPS CALCULATIONS

被引：27

作者：

AVDEEV, VI ^{[1
]}

UPTON, TH ^{[1
]}

WEINBERG, WH ^{[1
]}

GODDARD, WA ^{[1
]}

机构：

[1] CALTECH,DIV CHEM & CHEM ENGN,PASADENA,CA 91125

来源：

SURFACE SCIENCE | 1980年 / 95卷 / 2-3期

关键词：

D O I：

10.1016/0039-6028(80)90185-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：391 / 402

页数：12

共 37 条

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[3] CHRISTMANN K, 1979, J CHEM PHYS, V70, P4168, DOI 10.1063/1.438041
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) : 4528 - 4540
[6] MODEL FOR DISSOCIATIVE H2 CHEMISORPTION ON TRANSITION-METALS
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[7] LCAO STUDIES OF HYDROGEN CHEMISORPTION ON NICKEL .1. TIGHT-BINDING CALCULATIONS FOR ADSORPTION ON PERIODIC SURFACES
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VANDERAVOIRD, A
[J]. SURFACE SCIENCE, 1976, 55 (01) : 291 - 312
[8] LCAO STUDIES OF HYDROGEN CHEMISORPTION ON NICKEL .2. CLUSTER MODELS FOR ADSORPTION SITES
FASSAERT, DJM
VANDERAVOIRD, A
[J]. SURFACE SCIENCE, 1976, 55 (01) : 313 - 323
[9] CLASSICAL TRAJECTORY STUDY OF DISSOCIATION OF HYDROGEN ON COPPER SINGLE-CRYSTALS .2. CU(100) AND CU(110)
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CARDILLO, MJ
[J]. SURFACE SCIENCE, 1977, 64 (01) : 197 - 208
[10] CLASSICAL TRAJECTORY CALCULATIONS OF DISSOCIATION OF HYDROGEN ON COPPER .3. EFFECT OF SURFACE-ROUGHNESS
GELB, A
CARDILLO, MJ
[J]. SURFACE SCIENCE, 1978, 75 (02) : 199 - 214

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