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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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Principais autores: Jorge Ontaneda, Joana Bustamante, Subhajit Pal, Keith T Butler, Joe Briscoe
Format: Artigo
Sprog:Inglês
Udgivet: IOP Publishing 2026-01-01
Serier:JPhys Materials
Fag:
photocatalysis
heterojunctions
hematite
barium titanate
ferroelectric polarisation
band-alignment calculations
Online adgang:https://doi.org/10.1088/2515-7639/ae5b28
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