Heterostructured noble metal/transition metal nanohybrids have attracted increasing
attention in energy/environment-related electrocatalysis field due to their high activity. In this …

By means of first-principles computations, we investigated the catalytic capability of the Fe-
anchored graphene oxide (Fe–GO) for CO oxidation with O2. The high-energy barrier of Fe …

First-principles calculations have been performed to study Au-decorated silicene
(Au/silicene) as a high-activity catalyst for CO oxidation. The high binding strength of the …

The adsorption and decomposition of ethanol on Rh (100) was studied as a model reaction
to understand the role of C–OH functionalities in the surface chemistry of biomass-derived …

The present article aims to show how work function measurements (WF) can be applied in
the study of elementary surface reaction steps on metallic single crystal surfaces. The work …

In order to fundamentally understand cobalt catalyst deactivation in Fischer–Tropsch
synthesis (FTS) due to parts per million levels of NH3 in the synthesis gas, the adsorption …

Ammonia adsorption and decomposition on defect-rich hcp-Co (0001) surfaces were
investigated under ultra-high vacuum conditions in order to provide a fundamental …

CO oxidation over atomic Ni doped and Ni-M (M= Ca, Sc, V, Cu) bimetal-doped graphene
(Ni@ graphene and Ni-M@ graphene, respectively) were investigated by first-principles …

Formation of carbon dioxide from preadsorbed O and CO has been modeled by Density
Functional Theory (DFT) calculations on Rh (100) and Rh (111) for total surface coverages …

The adsorption and decomposition of acetaldehyde and acetic acid were studied on Rh
(100) to gain insight into the interaction of aldehyde and carboxyl groups of biomass-derived …