A DFT investigation on bi-functional {1 2 1} faceted orthorhombic β−Sb2O3 for water splitting application

A DFT investigation on bi-functional {1 2 1} faceted orthorhombic β−Sb2O3 for water splitting application

An investigation into the bi-functional nature of the {1 2 1} plane of β-Sb2O3 during water splitting reactions is conducted using density functional theory calculations, examining oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). The facet's asymmetric geometry and distort...

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Bibliographic Details
Main Authors: Harshada A. Barve, Rupali R. Deshmukh, Zeenat A. Shaikh, Balaji G. Ghule, Shoyebmohamad F. Shaikh, Ji-Hyun Jang, Rajaram S. Mane, Krishna Chaitanya Gunturu
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Next Materials
Subjects:
Antimony oxide
Density functional theory
Bi-functional catalyst
Oxygen evolution reaction
Hydrogen evolution reaction
Online Access:http://www.sciencedirect.com/science/article/pii/S2949822825003806
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