The effects of the orientation of a graphene sheet, the edge structure of carbon nanofibers,
and different surface functional groups on proton affinity, interactions with metal …

Graphene, a single atomic layer of graphite, has been a material of recent intensive studies
due to its novel electronic and structural properties and its potential applications in the …

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

Using the dispersion-corrected density functional theory (DFT-D3) method, we
systematically studied the adsorption of 15 kinds of transition-metal (TM) clusters on pristine …

Graphene is the strongest material ever studied and can be an efficient substitute for silicon.
This six-volume handbook focuses on fabrication methods, nanostructure and atomic …

Graphene aerogel (GA) has attracted great attention due to its unique properties, such as
ultralow density, superelasticity, and multifunctionality. However, it is a great challenge to …

Immobilization of transition metal complexes with catalytic, electronic or luminescent
properties onto solid supports is a theme of intense research. The relatively good knowledge …

Graphene-silver composites show a synergic effect of both components with enhanced
electronic, adsorption and catalytic properties. We present here the detailed theoretical …

A comparative study of the hydrogen spillover phenomenon on pristine graphene and
anatase (101)-supported Pt4 catalysts has been carried out by using density functional …

Hydrogen is a worldwide green energy carrier, however due its low storage capacity, it has
yet to be widely used as an energy carrier. Therefore, the quantum chemical method is …