In the search for gas sensing materials, two-dimensional materials offer the possibility of
designing sensors capable of tuning the electronic band structure by controlling their …

Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D)
materials from layered bulk structures, ternary layered transition metal borides, known as …

Bilayer borophene, very recently synthesized on Ag and Cu, possesses an extremely flat
large surface and excellent conductivity. The van der Waals gap of bilayer borophene can …

High boron content transition metal (TM) borides (HB-TMBs) have recently been regarded
as the promising candidate for superhard multifunctional materials. High hardness stems …

A family of two-dimensional (2D) transition metal borides, referred to as MBenes, is recently
emerging as novel materials with great potentials in electronic and energy harvesting …

Motivated by the recent successful synthesis of double-M carbides, we investigate structural
and electronic properties of WCrC and WCrCO 2 monolayers and the effects of biaxial and …

C6H6 and HCHO are two types of hazardous indoor gasses that seriously threaten human
health. Based on first-principles calculations, Ag2O-and CuO-modified MoSe2 nanosheets …

Materials containing planar hypercoordinate motifs greatly enriched the fundamental
understanding of chemical bonding. Herein, by means of first-principles calculations …

An ab initio evolutionary search algorithm was combined with density functional theory
(DFT) calculations to predict a series of 2-DB x N y (1< x/y≤ 2). Particularly, B5N3 and B7N5 …

Two-dimensional (2D) magnetic materials have shown promise as ideal platforms for
constructing novel spintronic devices. To date, most 2D magnetic materials have mainly …