Litcius/Paper detail

First-principles study on the effect of torsional deformation on WSe2 as an anode material for calcium ion batteries

Xiaowei Niu, Yanyan Feng

2024Journal of Molecular Modeling20 citationsDOI

Topics & Concepts

SemiconductorChemistryMulliken population analysisDensity functional theoryBand gapAdsorptionDeformation (meteorology)IonMaterials scienceCondensed matter physicsChemical physicsComputational chemistryOptoelectronicsPhysical chemistryPhysicsComposite materialOrganic chemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research