Band alignments of complex heterojunctions from first principles: the case of the α-Fe2O3/BaTiO3 interface

Photoactive-ferroelectric nanostructured composites often exhibit superior performance compared to their individual components, and the interfacial band profile has been regarded as the major contributor to the reported enhancements. In this context, band alignment could serve as a guiding parameter...

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Detalhes bibliográficos

Principais autores:	Jorge Ontaneda, Joana Bustamante, Subhajit Pal, Keith T Butler, Joe Briscoe
Formato:	Artigo
Idioma:	Inglês
Publicado em:	IOP Publishing 2026-01-01
Colecção:	JPhys Materials
Assuntos:	photocatalysis heterojunctions hematite barium titanate ferroelectric polarisation band-alignment calculations
Acesso em linha:	https://doi.org/10.1088/2515-7639/ae5b28
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