The support plays an important role for supported metal catalysts by positioning itself as a
macromolecular ligand, which conditions the nature of the active site and contributes …

The catalytic oxidation of CO on Pt/X-graphene (X=“pri” for pristine-or “SV” for defective-
graphene with a single vacancy) is investigated using the first-principles method based on …

Small clusters secured at a given size, for example, via deposition on surfaces of
semiconductors, can be remarkable catalysts. In the so-called “non-scalable” regime, where …

Graphene nanosheets serve as excellent support materials in the synthesis of advanced
metal nanoparticle–graphene electrocatalysts. In this study, we employ a combination of …

The field of heterogeneous nanocatalysis has developed catalysts with excellent activities,
superior selectivities and high stabilities. Their properties can be easily tuned by tailoring the …

Metal-N x embedded CNT have aroused considerable attention in the field of gas interaction
due to their strong catalytic behavior, which provides prospective scopes for gas adsorption …

Abstract Effects of specific nitrogen functionality and oxidative functionalization of the
surfaces of nitrogen-doped carbon nanotubes (NCNTs) on the interaction between Pt …

We report an investigation on CO oxidation catalyzed by Au 8 or Pt 4 clusters on defective
graphene using first-principles approach based on density functional theory. The simplest …

Metal-free catalysts have attracted more attention due to their highly active in catalytic
oxidation reactions. The outstanding stability and catalytic activity of a single-atom Si …

Inspired by the recently discovered dynamics of single Fe atoms in graphene vacancies, we
systemically examined the stable configurations, electronic structures, and catalytic activities …