Charge-transfer effects in oxygen chemisorption on nickel (001)
- 15 October 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 32 (8) , 5432-5434
- https://doi.org/10.1103/physrevb.32.5432
Abstract
Calculations of the electron density in oxygen overlayers on a nickel (001) surface show a ‘‘ball-and-stick’’ model to be inappropriate in understanding the small work-function increase measured on chemisorption. The form of the charge transfer and the effective surface dipole layer is explained in terms of the very large 2p-like oxygen orbitals that span the O 2p–like bands.Keywords
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