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First-principles calculation of the tunable electronic and optical properties of the BP/ZrS2 heterojunction

Weiwei Duan, Kanghao Liang, Xing Wei, Yan Zhang, Huaxin Chen, Yun Yang, Jian Liu, Ye Tian, Shijie Wei, Li Duan, Li Duan

2024Chemical Physics12 citationsDOI

Topics & Concepts

HeterojunctionSemiconductorChemistryBand gapPhotodetectorOptoelectronicsDensity functional theoryMonolayerAbsorption (acoustics)Direct and indirect band gapsCondensed matter physicsNanotechnologyMaterials scienceOpticsPhysicsComputational chemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsPerovskite Materials and Applications
First-principles calculation of the tunable electronic and optical properties of the BP/ZrS2 heterojunction | Litcius