First-principle study of shear deformation effect on Mg adsorption by monolayer SnS2
Mengting Ma, Guili Liu, Wei Ran, Dan Su, Zhonghua Yang, Guoying Zhang
Topics & Concepts
CASTEPDensity functional theoryBand gapVacancy defectAdsorptionAtom (system on chip)SemiconductorMaterials scienceFermi levelDensity of statesChemistryCondensed matter physicsMolecular physicsComputational chemistryElectronPhysical chemistryCrystallographyPhysicsOptoelectronicsQuantum mechanicsComputer scienceEmbedded systemChalcogenide Semiconductor Thin Films2D Materials and ApplicationsZnO doping and properties