Title

Probing the surface structure via the adsorbed hydrogen atoms – The case of Cu(4 1 0)

College

College of Science

Department/Unit

Physics

Document Type

Article

Source Title

Applied Surface Science

Volume

528

Publication Date

10-30-2020

Abstract

We show how we could determine (or at least qualitatively deduce) the displacements of surface atoms with respect to an arbitrarily chosen reference, from the trends in the vibrational frequencies of adsorbed hydrogen atoms. The discernible displacement could be as small as 0.1 Å. As a test structure, we consider the case of Cu(4 1 0), which has remained contentious, until recently. Any slight (ca. 0.1 Å) displacement of Cu(4 1 0) surface atoms with respect to an arbitrarily chosen reference structure manifests as either a broadening or narrowing of the corresponding H-Cu(4 1 0) potential energy curve. This suggests the possibility of carry out adsorbate mediated surface analysis, with hydrogen as the (chosen) adsorbate, in this case. © 2020 Elsevier B.V.

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Digitial Object Identifier (DOI)

10.1016/j.apsusc.2020.146433

Disciplines

Physics

Keywords

Density functionals; Hydrogen

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