Local Isoelectronic Reactivity of Solid Surfaces

Steffen Wilke, Morrel H. Cohen, and Matthias Scheffler
Phys. Rev. Lett. 77, 1560 – Published 19 August 1996
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Abstract

The quantity wN(r)=(1/k2Tel)[n(r,Tel)/Tel]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 wN(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 wN(r) for the example of hydrogen dissociation and adsorption on Pd(100).

  • Received 14 February 1996

DOI:https://doi.org/10.1103/PhysRevLett.77.1560

©1996 American Physical Society

Authors & Affiliations

Steffen Wilke and Morrel H. Cohen

  • Corporate Research Laboratories, Exxon Res. & Eng. Comp., Annandale, New Jersey 08801

Matthias Scheffler

  • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin-Dahlem, Germany

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Vol. 77, Iss. 8 — 19 August 1996

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