Two dimensional hexagonal boron nitride (2D-hBN), an isomorph of graphene with a very
similar layered structure, is uniquely featured by its exotic opto-electrical properties together …

The recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional
transition metal carbides and nitrides, the so-called MXenes, has brought a new opportunity …

Hexagonal boron nitride (hBN) monolayers have attracted considerable interest as
atomically thin sp 2-hybridized sheets that are readily synthesized on various metal …

The recent surge in graphene research has stimulated interest in the investigation of various
2-dimensional (2D) nanomaterials. Among these materials, the 2D boron nitride (BN) …

Energy conversion and storage materials have received wide attention as fossil fuels are
gradually running out and climate change is looming. Hexagonal boron nitride (h-BN) is not …

By making use of first principles calculations, lithium-decorated (Li-decorated) and nitrogen-
doped (N-doped) penta-graphene (PG) was investigated as a potential material for …

Recently synthesized two-dimensional (2D) borophene possesses unique structural,
mechanical, electrical and optical properties. Herein, we present a comprehensive study of …

Nickel doped defective h-BN nanosheets and their potential application on hydrogen
storage were explored by density functional theory (DFT) calculation. Three types of …

We present results of density functional theory (DFT) calculations of the adsorption of
hydrogen molecules on Ti-decorated graphene. Our results indicate that the binding …

The availability of hydrogen storage materials with reliable safety, high capacity, moderate
thermodynamic condition and fast kinetic performance is pressing urgent technological and …