Abstract Silicene, a two-dimensional (2D) allotrope of silicon with a hexagonal lattice
structure akin to graphene, has emerged as a promising material for energy storage …

Transition metal dichalcogenides (TMDs), like VS2, display unique electronic, magnetic, and
optical properties, making them promising for spintronic and optoelectronic applications …

Abstract Using the Density Functional Theory (DFT) calculations, we determined the
electronic and magnetic properties of a T-phase VS 2 bilayer as a function of tensile and …

The density functional method is used to study the structural, electronic, and optical
properties of pristine silicene and, also the modification happened in these properties due to …

The density functional theory is employed for learning the modulation of the electronic
structure and magnetic properties of monolayer SnSe 2 by an Mn atom and by co-doping an …

Silicon is a material with well established technological applications. Thus, obtaining this
material in nanostructured form increases its possibility of integration in the current …

Two-dimensional materials, ZnO monolayers, have attracted widespread concern due to
their potential applications in electronics, optoelectronics, and sensors devices. However …

In this work, we present a comprehensive investigation of graphene's thermal conductivity
using first-principles density functional perturbation theory calculations, with a focus on the …