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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Главные авторы:	Jorge Ontaneda, Joana Bustamante, Subhajit Pal, Keith T Butler, Joe Briscoe
Формат:	Artigo
Язык:	Inglês
Опубликовано:	IOP Publishing 2026-01-01
Серии:	JPhys Materials
Предметы:	photocatalysis heterojunctions hematite barium titanate ferroelectric polarisation band-alignment calculations
Online-ссылка:	https://doi.org/10.1088/2515-7639/ae5b28
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