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Two-dimensional M2CO2/MoS2 (M = Ti, Zr and Hf) van der Waals heterostructures for overall water splitting: A density functional theory study

Xuewen Xu, Xiaoli Ge, Xin Liu, Lanlan Li, Kun Fu, Dong Yao, Fanbin Meng, Ruihao Si, Minghui Zhang

2020Ceramics International40 citationsDOI

Topics & Concepts

HeterojunctionDensity functional theoryMaterials sciencevan der Waals forceSemiconductorValence (chemistry)Electron mobilityWater splittingCondensed matter physicsOptoelectronicsPhotocatalysisComputational chemistryChemistryPhysicsMoleculeBiochemistryOrganic chemistryCatalysis2D Materials and ApplicationsMXene and MAX Phase MaterialsGraphene research and applications
Two-dimensional M2CO2/MoS2 (M = Ti, Zr and Hf) van der Waals heterostructures for overall water splitting: A density functional theory study | Litcius