Hydrodesulfurization (HDS) is one of the most efficient methods to remove harmful sulfur
from oil to produce clean hydrocarbons. Molybdenum sulfide (MoS2) has been used …

Non-planar architectures of the traditionally flat 2D materials are emerging as an intriguing
paradigm to realize nascent properties within the family of transition metal dichalcogenides …

Single layer transition-metal dichalcogenides materials (MoS 2, MoSe 2, WS 2 and WSe 2)
are investigated using the first-principles method with the emphasis on their responses to …

AH 2 O 2 etching strategy was adopted to introduce coordinatively unsaturated sites (CUS)
on MoS 2-based catalysts for dibenzothiophene (DBT) hydrodesulfurization (HDS). The …

In this paper, using molecular dynamics simulations we report spontaneous curling
behaviors of freestanding Janus monolayer S–Mo–Se (MoSeS) structures. Density …

As a new class of two-dimensional (2D) materials, 2D covalent organic frameworks (COFs)
are proven to possess remarkable electronic and magnetic properties. However, their …

One-dimensional MoS2 nanotubes with the specific surface area of 89.34 m2/g and the
average pore size of 2.52 nm were successfully synthesized by the thermolytical approach …

We calculate the torsional moduli of single-walled transition metal dichalcogenide (TMD)
nanotubes using ab initio density functional theory (DFT). Specifically, considering forty-five …

We investigate the tensile properties of MoS 2 nanotubes by the implementation of a set of
molecular dynamics runs, using a recently developed version of the Stillinger–Weber (SW) …

The mechanical properties of single-walled Janus MoSSe nanotubes (MoSSeNTs) were
systematically explored by means of classic molecular dynamics simulations. The force field …