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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
פורמט: Artigo
שפה:Inglês
יצא לאור: IOP Publishing 2026-01-01
סדרה:JPhys Materials
נושאים:
photocatalysis
heterojunctions
hematite
barium titanate
ferroelectric polarisation
band-alignment calculations
גישה מקוונת:https://doi.org/10.1088/2515-7639/ae5b28
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