Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/144859
Title: Degree of geometric tilting determines the activity of FeO6 octahedra for water oxidation
Authors: Li, Haiyan
Chen, Yubo
Xi, Shibo
Wang, Jingxian
Sun, Shengnan
Sun, Yuanmiao
Du, Yonghua
Xu, Zhichuan Jason
Keywords: Engineering::Materials
Issue Date: 2018
Source: Li, H., Chen, Y., Xi, S., Wang, J., Sun, S., Sun, Y., ... Xu, Z. J. (2018). Degree of geometric tilting determines the activity of FeO6 octahedra for water oxidation. Chemistry of Materials, 30(13), 4313–4320. doi:10.1021/acs.chemmater.8b01321
Journal: Chemistry of Materials
Abstract: Fe oxides and (oxy)hydroxides are promising cost-effective catalysts for scalable water electrolysis. For an improvement in the understanding of the structural factors required by the most active Fe sites, the role of geometric tilting in determining the activity of the FeO6 octahedron for water oxidation was investigated. The catalytic performance of the FeO6 octahedron in a series of crystalline structures, i.e., perovskites AFeO3, spinel ZnFe2O4, and β-FeOOH, was found to be negatively correlated with their octahedral tilting degree. This correlation was rationalized through the Fe–O covalency, which is reflected by the O 2p band center as well as the charge-transfer energy obtained from ab initio calculations. Thus, it was disclosed that FeO6 octahedral tilting alters the activity for water oxidation through changing the covalency degree of Fe–O bonds.
URI: https://hdl.handle.net/10356/144859
ISSN: 1520-5002
DOI: 10.1021/acs.chemmater.8b01321
Rights: © 2018 American Chemical Society. All rights reserved.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:MSE Journal Articles

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