Surface Reconstruction Tunes Band Edges and Lattice-Oxygen Reactivity on BiVO ₄ (010) Photoanodes

Q: What does this research mean for the field?

Reconstruction-driven surface chemistry controls interfacial electronic levels and lattice-oxygen reactivity at aqueous BiVO4 (010) interfaces. Novelty: ClaimNovelty.NOVEL_FINDING. Consensus alignment: ConsensusAlignment.NEUTRAL.

Yonghyuk Lee; Changkyu Cho; Ki-Tae Lee; Taehun Lee

doi:10.1039/d5ta10136k

January 1, 2026Journal of Materials Chemistry A

Surface Reconstruction Tunes Band Edges and Lattice-Oxygen Reactivity on BiVO ₄ (010) Photoanodes

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Key Points

This research aims to understand how surface reconstruction influences electronic levels and reactivity in BiVO4 (010) photoanodes.
Applied dielectric-dependent hybrid functional molecular dynamics to study surface terminations.
Investigated six electrochemically stable surface terminations of BiVO4 (010).
Surface reconstruction significantly tunes band edges and lattice-oxygen reactivity.
Identified specific surface terminations that enhance interfacial electronic properties.

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Implication

Reveals how surface reconstruction controls electronic levels and reactivity, suggesting implications for photoanode efficiency.

Abstract

We unveil how reconstruction-driven surface chemistry controls interfacial electronic levels and reactivity at aqueous BiVO 4 (010) interfaces. Dielectric-dependent hybrid functional molecular dynamics is applied to six electrochemically stable surface terminations of...

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Cite This Study

Lee et al. (2026) studied this question.

synapsesocial.com/papers/6a1a820e0307b78509433c69 https://doi.org/10.1039/d5ta10136k

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Surface Reconstruction Tunes Band Edges and Lattice-Oxygen Reactivity on BiVO ₄ (010) Photoanodes

Key Points

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Implication

Abstract

Discussion

Cite This Study

Surface Reconstruction Tunes Band Edges and Lattice-Oxygen Reactivity on BiVO ₄ (010) Photoanodes

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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