Abstract

We suggest a new polarization mechanism for changes in the work function Δ φ for bare transition metal surfaces and those covered by electronegative adsorbates such as hydrogen or halogens. The mechanism, based on the p-d orbital rehybridization of the surface atoms, has been tested for the relevant metal slabs, within a Hückel-type LCAO MO approach, both analytically and computationally. We present the major results stressing the basic physics behind them. Some conceptual implications of the new model are discussed.

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