The stability and electronic and photocatalytic properties of the ZnWO<sub>4</sub> (010) surface determined from first-principles and thermodynamic calculations
Yonggang Wu, Jihua Zhang, Bingwei Long, Hong Zhang
Abstract
The ZnWO<sub>4</sub> (010) surface termination stability is studied using a density functional theory-based thermodynamic approach. The stability phase diagram shows that O-Zn, DL-W, and DL-Zn terminations of ZnWO<sub>4</sub> (010) can be stabilized.
Topics & Concepts
PhotocatalysisSurface (topology)Stability (learning theory)Chemical stabilityMaterials scienceThermodynamicsPhysical chemistryChemical physicsChemical engineeringChemistryPhysicsCatalysisComputer scienceMathematicsEngineeringOrganic chemistryMachine learningGeometryAdvanced Photocatalysis TechniquesLuminescence Properties of Advanced MaterialsGa2O3 and related materials