Authors
J Niu, BK Rao, P Jena
Publication date
1992/4/13
Journal
Physical review letters
Volume
68
Issue
15
Pages
2277
Publisher
American Physical Society
Description
Using self-consistent field molecular-orbital theory, we show that the interaction of hydrogen molecules with a Ni+ ion is characteristically different from that with a neutral Ni atom. While hydrogen chemisorbs dissociatively on the neutral metal atom, it is bound to the cation in its molecular form. The atomic bonding is a consequence of the Pauli exclusion principle whereas the bonding of the molecular hydrogen results from an electrostatic interaction. We predict that a Ni+ ion can bind at least six hydrogen molecules.
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J Niu, BK Rao, P Jena - Physical review letters, 1992