Local isoelectronic reactivity of solid surfaces

Steffen Wilke, Morrel H. Cohen, Matthias Scheffler

Research output: Contribution to journalArticle

46 Scopus citations

Abstract

The quantity w^N(r) = (1/ k^2 T_el)[partial n(r, T_el) / partial T_el]_(v(r), N) is introduced as a convenient measure of the local isoelectronic reactivity of surfaces. It characterizes the local polarizability of the surface and it can be calculated easily. The quantity w^N(r) supplements the charge transfer reactivity measured e.g. by the local softness to which it is closely related. We demonstrate the applicability and virtues of the function w^N(r) for the example of hydrogen dissociation and adsorption on Pd(100).

Original languageEnglish (US)
Pages (from-to)1560-1563
Number of pages4
JournalPhysical review letters
Volume77
Issue number8
DOIs
StatePublished - Jan 1 1996
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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