Electronic structure studies and quantum scattering methods are used to elucidate the
differing reactivities of methane on Ni (111) and Pt (111). For both surfaces the lowest …

The thermal, mechanical, catalytic and adsorptive properties, etc. are the key factors
dominating the applied field of precious metal materials. High temperature alloys doped by …

Despite progress in the understanding of how nanostructuring affects activity of
heterogeneous catalysts, there are still fundamental questions to be answered. Do …

The issue of hydrogen (H) electroadsorption on Pt (111) is revisited to settle its theoretical
description within the conventional ultrahigh vacuum (UHV) surface modeling and the …

Experiments dealing with electron–phonon coupling at metal surfaces are reviewed. Issues
as diverse as reconstructions at surfaces, Kohn anomalies, Peierls distortions, electron …

PtSn {111} forms two ordered surface alloys namely p (2× 2) and (√ 3×√ 3R30°) and such
bimetallic catalysts are often used in industrially catalysed reactions, such as …

The coadsorption of Li and H atoms on Pt (001), Pt (110) and Pt (111) surfaces is studied
using density functional theory with generalised gradient approximation. In all calculations …

The metallic delafossites host ultra-high mobility carriers in the bulk, while at their polar
surfaces, intrinsic electronic reconstructions stabilise markedly distinct electronic phases …

In this work, we use the first-principles density-functional approach to study the electronic
structure of a H atom adsorbed on the ideal Pt (111) and vicinal Pt (211) and Pt (331) …

We have examined the effect of ac (2× 2)-CO overlayer on the surface phonons of the Cu
(001) substrate by applying density-functional perturbation theory with both the local density …