Due to its unique physical, chemical, and mechanical properties, such as a low specific
density, large specific surface area, excellent thermal stability, oxidation resistance, low …

Over the past two decades, the field of two-dimensional (2D) layered materials has
witnessed a remarkable advancement, owing to the discovery of the exceptional properties …

In this work, a new Bsingle bondN counterpart of biphenylene network (bi-BN) with 4-, 6-,
and 8-membered rings is predicted with the aid of the Density Functional Theory (DFT) …

The construction of Schottky junctions is considered to be an efficient way to boost spatial
charge separation and transfer in photocatalytic systems. In this work, we construct the …

Two-dimensional (2D) metal borides (MBenes) with unique electronic structures and
physicochemical properties hold great promise for various applications. Given the …

Defects can significantly alter the properties of 2D material surfaces, thereby affecting the
application results. In this work, the adsorption behaviors of H 2 S, SO 2, NH 3, and NO 2 …

The nanotubes rolled from the monolayer Me-graphene (Me-CNTs) are proposed in this
work with the aid of the density functional theory (DFT) simulations. Due to the square lattice …

Two-dimensional (2D) boron carbide, carbon nitride, and silicon carbide are proposed with
the aid of the density functional theory (DFT) simulations. These 2D systems are actually …

Abstract 2D materials have the potential for superior sensing performance due to their
distinctive surface properties. In this study, the sensing properties of a novel 2D diboron …

Photocatalysis is an ideal technology for environmental applications, but its efficiency is
severely limited by slow kinetics and low efficiency of carrier separation. Herein, a …