First-principles studies on α-Fe<sub>2</sub>O<sub>3</sub> surface slabs and mechanistic elucidation of a g-C<sub>3</sub>N<sub>4</sub>/α-Fe<sub>2</sub>O<sub>3</sub> heterojunction
Sateesh Bandaru, Govindarajan Saranya, Wei Wei Liu, Niall J. English
Abstract
First-principles calculations were carried out to explore the surface energies and electronic properties of α-Fe<sub>2</sub>O<sub>3</sub> surface slabs. Further, to enhance the photocatalytic activity of Fe<sub>2</sub>O<sub>3</sub>, an alternative effective strategy was to examine Fe<sub>2</sub>O<sub>3</sub>-based heterostructures.
Topics & Concepts
CatalysisMaterials scienceHeterojunctionPhysical chemistryChemistryCrystallographyOptoelectronicsBiochemistryIron oxide chemistry and applicationsAdvanced Photocatalysis TechniquesCopper-based nanomaterials and applications