Due to the recent expanding interest in two-dimensional layered materials, molybdenum
disulfide (MoS2) has been receiving much research attention. Having an ultrathin layered …

Rhenium disulfide (ReS2) is a two‐dimensional (2D) group VII transition metal
dichalcogenide (TMD). It is attributed with structural and vibrational anisotropy, layer …

Two‐dimensional inorganic materials are emerging as a premiere class of materials for
fabricating modern electronic devices. The interest in 2D layered transition metal …

Single atoms or ions on surfaces affect processes from nucleation to electrochemical
reactions and heterogeneous catalysis. Transmission electron microscopy is a leading …

The development of low-cost and highly efficient materials for the electrocatalytic nitrogen
reduction reaction (NRR) under ambient conditions is an attractive and challenging topic in …

First-principles calculations based on periodic density functional theory (DFT) have been
used to investigate the geometries, electronic structures, magnetic properties and diffusion …

We explored the adsorption of SO 2, SOF 2, and SO 2 F 2 on Pt-or Au-doped MoS 2
monolayer based on density functional theory. The adsorption energy, adsorption distance …

A two-dimensional molybdenum disulfide (MoS2)-based gas sensor was decorated with Pt
nanoparticles (NPs) for high sensitivity and low limit of detection (LOD) for specific gases …

Using density functional theory calculations, we have systematically explored the effect of
surface adsorption of different atoms on the electronic properties of monolayer molybdenum …

The spin-orbit coupling (SOC) effect has been known to be profound in monolayer pristine
transition metal dichalcogenides (TMDs). Here we show that point defects, which are …