The Thermodynamic Stability, Electronic and Photocatalytic Properties of the ZnWO<sub>4</sub>(100) Surface as Predicted by Screened Hybrid Density Functional Theory
Yonggang Wu, Jihua Zhang, Bingwei Long, Hong Zhang
Abstract
(100) surface structures and properties under the entire range of accessible environmental conditions.
Topics & Concepts
Hybrid functionalDensity functional theoryBand gapMaterials sciencePhotocatalysisHeterojunctionDelocalized electronChemical stabilityWater splittingChemical physicsVisible spectrumChemistryOptoelectronicsThermodynamicsComputational chemistryPhysicsBiochemistryCatalysisOrganic chemistryAdvanced Photocatalysis TechniquesGa2O3 and related materials2D Materials and Applications