Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5418869 | Journal of Molecular Structure: THEOCHEM | 2007 | 5 Pages |
Abstract
The adsorption of NO molecule on small neutral, anionic, and cationic silver clusters Agn (n = 1-7) has been studied using density functional theory method with the generalized gradient approximation (PW91PW91). The adsorption energies of NO molecule on the silver clusters have an odd-even alternation pattern except for the cationic silver monomer and dimer, on which the adsorption energies are almost the same. Natural bond orbital analysis shows that NO molecule often attracts electrons from the silver clusters except for some silver cluster cations (n = 1 and 4).
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jia Zhou, Fei Xiao, Wen-Ning Wang, Kang-Nian Fan,