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Effect of strain on the electronic structure and optical properties of Cr-doped monolayer MoS2

Ran Wei, Guili Liu, Xuewen Gao, Jianlin He, Jingwei Zhao, Yuling Chen, Guoying Zhang

2023Journal of Molecular Modeling12 citationsDOI

Topics & Concepts

MonolayerMaterials scienceDensity functional theoryDopingCASTEPBand gapDielectricUltimate tensile strengthCondensed matter physicsRefractive indexElectronic structureDensity of statesOptoelectronicsNanotechnologyComposite materialComputational chemistryChemistryPhysics2D Materials and ApplicationsMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties
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