CATALYTIC PROMOTION AND POISONING - ALL-ELECTRON LOCAL-DENSITY-FUNCTIONAL THEORY OF CO ON NI(001) SURFACES COADSORBED WITH K OR S

被引：204
|
作者：
WIMMER, E [1 ]
FU, CL [1 ]
FREEMAN, AJ [1 ]
机构：
[1] CRAY RES INC,MENDOTA HTS,MN 55120
来源：
PHYSICAL REVIEW LETTERS | 1985年 / 55卷 / 23期
关键词：
D O I：
10.1103/PhysRevLett.55.2618
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
引用
收藏
页码：2618 / 2621
页数：4
相关论文
共 11 条
  • [1] ALL-ELECTRON LOCAL-DENSITY-FUNCTIONAL THEORY OF ALKALI-METAL ADSORPTION ON TRANSITION-METAL SURFACES - CS ON MO(001)
    CHUBB, SR
    WIMMER, E
    FREEMAN, AJ
    HISKES, JR
    KARO, AM
    PHYSICAL REVIEW B, 1987, 36 (08): : 4112 - 4122
  • [2] BONDING OF SURFACE-STATES ON W(001) - ALL-ELECTRON LOCAL-DENSITY-FUNCTIONAL STUDIES
    OHNISHI, S
    FREEMAN, AJ
    WIMMER, E
    PHYSICAL REVIEW B, 1984, 29 (10): : 5267 - 5278
  • [3] TIC(001) SURFACE - ALL-ELECTRON LOCAL DENSITY-FUNCTIONAL STUDY
    WIMMER, E
    NECKEL, A
    FREEMAN, AJ
    PHYSICAL REVIEW B, 1985, 31 (04) : 2370 - 2378
  • [4] MAGNETISM AT THE NI(001) SURFACE - A HIGH-PRECISION, ALL-ELECTRON LOCAL-SPIN-DENSITY-FUNCTIONAL STUDY
    WIMMER, E
    FREEMAN, AJ
    KRAKAUER, H
    PHYSICAL REVIEW B, 1984, 30 (06): : 3113 - 3123
  • [5] Ab-initio local-density-functional studies of the catalytic oxidation of CO on Pt-surfaces.
    Hafner, J
    Eichler, A
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 217 : U700 - U700
  • [6] ALL-ELECTRON LOCAL-DENSITY THEORY OF ALKALI-METAL BONDING ON TRANSITION-METAL SURFACES - CS ON W(001)
    WIMMER, E
    FREEMAN, AJ
    HISKES, JR
    KARO, AM
    PHYSICAL REVIEW B, 1983, 28 (06): : 3074 - 3091
  • [7] LOCAL DENSITY FUNCTIONAL THEORY OF ALKALI ADSORPTION ON TRANSITION-METAL SURFACES - WORK FUNCTION LOWERING AND CATALYTIC PROMOTION
    WIMMER, E
    CHUBB, SR
    FU, CL
    FREEMAN, AJ
    JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A, 1987, 5 (04): : 695 - 696
  • [8] Catalytic activity for oxygen reduction reaction on platinum-based core-shell nanoparticles: all-electron density functional theory
    Shin, Jungho
    Choi, Jung-Hae
    Cha, Pil-Ryung
    Kim, Seong Keun
    Kim, Inho
    Lee, Seung-Cheol
    Jeong, Doo Seok
    NANOSCALE, 2015, 7 (38) : 15830 - 15839
  • [9] Density functional theory study of CO catalytic oxidation on Pt(111) and Pt3Ni(111) surfaces
    Su Haiyan
    Li Weixue
    Bao Xinhe
    CHINESE JOURNAL OF CATALYSIS, 2008, 29 (08) : 683 - 686
  • [10] ALL-ELECTRON LOCAL-DENSITY THEORY OF COVALENTLY BONDED MATERIAL ADSORBED ON METALLIC SUBSTRATE - P(1X1) SI MONOLAYER ON W(001)
    HONG, SC
    FU, CL
    FREEMAN, AJ
    PHYSICAL REVIEW B, 1988, 37 (15) : 8811 - 8816
12