Recent studies dealing with the structural, electronic, chemical and catalytic properties of
well-defined bimetallic surfaces are reviewed. LEED and STM show that two metals …

Periodic, self-consistent DFT-GGA calculations are used to study the thermochemical
properties of both surface and subsurface atomic hydrogen on a variety of pure metals and …

Hydrogen pipeline transportation, with the advantages of large capacity, low energy
consumption and low cost, is the key to achieving large-scale transportation of hydrogen …

Chemisorbed hydrogen and various intermediate hydrocarbon fragments play an important
role in the important reaction of ethylene hydrogenation to ethane, which is catalyzed by Pt …

The mechanism of hydrogen storage by atomic hydrogen spillover on a Pt-doped graphite
(0001) surface was studied by means of density functional theory. The coronene molecule …

In this feature article, the atomic-scale understanding of the hydrogen spillover mechanism
for hydrogen storage in metal-doped carbon materials and metal–organic frameworks is …

The electronic energy barriers of surface reactions pertaining to the mechanism of the
electrooxidation of methane on Pt (111) were estimated with density functional theory …

Plane-wave density functional theory and extended Hückel calculations have been used to
study the adsorption of acetylene and hydrogen on the (111) surface planes of Pd, Pt, Ni …

Platinum surfaces alloyed with an electropositive metal (eg, Fe, Sn) are known to largely
improve the selectivity in the hydrogenation of α, β-unsaturated aldehydes toward …

By means of semiempirical extended Hückel calculations, the electronic properties of the
surface Pt atoms in the Pt80Fe20 (111) alloy have been compared with those of pure Pt …