Ab-initio calculation of band positions for transition metal oxides reveals potential materials for photoelectrochemistry

Material Science

• Oxide Compound 100%
• Transition Metal Oxide 100%
• Ab Initio Calculation 100%
• Density 50%
• Oxidation Reaction 50%
• Zinc Oxide 50%
• Photoelectrochemical Cell 50%
• Hematite 50%
• Manganese Oxide 50%

Engineering

• Band Edge 100%
• Valence Band 100%
• Conduction Band Minimum 100%
• Photoelectrochemical Cell 50%
• Energy Conversion 50%
• Solar Energy 50%

Keyphrases

• Cuprous 50%
• Material Versatility 50%
• Hybrid DFT 50%