Publication
Surface Science
Paper

Molecular orbital cluster model study of Cu(001)/Cl

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Abstract

The Cl-Cu metal chemisorption is studied using molecular orbital theory. The surface is represented by a Cu cluster. The Cu atoms are described by a relativistic effective core potential having only one (4s1) valence electron. In particular, the Cl-Cu interlayer distance is calculated in order to complement the information obtained from recent LEED and SEXAFS studies and to calibrate the theoretical approach used. © 1984.

Date

01 Mar 1984

Publication

Surface Science

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