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Charge transfer effects in oxygen chemisorption on nickel (001)

Godby, R.W. (1985) Charge transfer effects in oxygen chemisorption on nickel (001). Physical Review B, 32 (8). pp. 5432-5434. ISSN 1098-0121

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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.

Item Type: Article
Copyright, Publisher and Additional Information: © 1985 American Physical Society. Published in Physical Review B and uploaded in accordance with the publisher's self archiving policy.
Institution: The University of York
Academic Units: The University of York > Physics (York)
Depositing User: Physics Import
Date Deposited: 17 Sep 2008 17:36
Last Modified: 18 Sep 2008 18:31
Published Version: http://link.aps.org/abstract/PRB/v32/p5432
Status: Published
Publisher: American Physical Society
Refereed: Yes
Identification Number: 10.1103/PhysRevB.32.5432
Related URLs:
URI: http://eprints.whiterose.ac.uk/id/eprint/3958

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