The optical, magnetism and electronic characteristics of 16 types of transition metals
adsorbed puckered arsenene (TM-arsenene) were investigated by the first principles …

Poor conductivity and easy aggregation of the two-dimensional Ni (OH) 2 astrict their
extensive applications in supercapacitors. In the current study, a nanosphere-interspersed …

The structural, electronic, mechanical and the thermodynamic properties of the MAX phases
(Zr 1-x Ti x) 3 AlC 2 compounds have been investigated by using the full-potential plane …

Abstract In-plane (MoSi 2 N 4) 5-n/(MoSiGeN 4) n heterostructures have been delicately
designed and systematically studied using first-principles density functional theory …

Abstract Two-dimensional (2D) materials display special interest as for metal-ion batteries
(MIBs) due to they have high specific surface area and unique electrochemical activity. Here …

Chalcogenide semiconductors and glasses have many applications in the civil and military
fields, especially in relation to their electronic, optical and mechanical properties for energy …

Using first principle calculations based on the density functional theory (DFT), the structural,
elastic, electronic, and thermoelectric properties, and thermodynamic stability of the LiMgZ …

In this paper, density functional theory (DFT) calculations are performed to investigate the
spin-dependent mechanical, electronic, magnetic, optical, and thermal transport properties …

In the present study, the comprehensive effects of Ce addition and pre-twining deformation
on the microstructure evolution and mechanical properties of Mg-1.0 Sn-0.5 Zn alloys were …

Abstract Two-dimensional (2D) piezoelectric materials that can achieve conversion between
mechanical and electrical energy are of notable interest for functional materials. However …