Bond lengths and bond strengths in weak and strong chemisorption:: N2, CO, and CO/H on nickel surfaces -: art. no. 116104

被引：21
|
作者：
Sayago, DI
Hoeft, JT
Polcik, M
Kittel, M
Toomes, RL
Robinson, J
Woodruff, DP
Pascal, M
Lamont, CLA
Nisbet, G
机构：
[1] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
[2] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England
[3] Univ Huddersfield, Dept Chem & Biol Sci, Ctr Appl Catalysis, Huddersfield HD1 3DH, W Yorkshire, England
来源：
PHYSICAL REVIEW LETTERS | 2003年 / 90卷 / 11期
关键词：
D O I：
10.1103/PhysRevLett.90.116104
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
New chemical-state-specific scanned-energy mode photoelectron diffraction experiments and density functional theory calculations, applied to CO, CO/H, and N-2 adsorption on Ni(100), show that chemisorption bond length changes associated with large changes in bond strength are small, but those associated with changes in bond order are much larger, and are similar to those found in molecular systems. Specifically, halving the bond strength of atop CO to Ni increases the Ni-C distance by 0.06 Angstrom, but halving the bond order (atop to bridge site) at fixed bond strength causes an increase of 0.16 Angstrom.
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页数：4
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