Adsorption and vibration of carbon on low index and defect nickel surface

Authors
Zhang, WX Qiao, QA Chen, SG Cai, MC Wang, ZX
Citation
Wx. Zhang et al., Adsorption and vibration of carbon on low index and defect nickel surface, CHIN J CHEM, 19(4), 2001, pp. 325-331
Citations number
25
Categorie Soggetti
Chemistry
Journal title
CHINESE JOURNAL OF CHEMISTRY
ISSN journal
1001604X → ACNP
Volume
19
Issue
4
Year of publication
2001
Pages
325 - 331
Database
ISI
SICI code
1001-604X(200104)19:4<325:AAVOCO>2.0.ZU;2-K
Abstract
The 5-parameter Morse potential of interaction between carbon and the nicke l surface was constructed. We studied the adsorption and vibration of carbo n atom on Ni(100), Ni(110) and Ni(111) single crystal low Index surfaces an d obtained the data of adsorption sites, adsorption geometry, binding energ y and eigenvibration etc., which were in good agreement with the experiment al results. Meanwhile, the influence of step defect on Ni(100) surfaces for carbon adsorption was also investigated.