The Fe IV  O • oxyl unit as a key intermediate in water oxidation on the Fe III  hydroxide: DFT predictions-Reference-Cited by-同舟云学术

The Fe IV  O • oxyl unit as a key intermediate in water oxidation on the Fe III  hydroxide: DFT predictions

Published:2021-02-08 Issue:10 Volume:121 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Shubin Aleksandr A.¹²,Kovalskii Viktor Yu.¹^ORCID,Ruzankin Sergey Ph.¹,Zilberberg Igor L.¹²^ORCID,Parmon Valentin N.¹²,Tomilin Felix N.³⁴,Avramov Pavel V.⁵

Affiliation:

1. Boreskov Institute of Catalysis Novosibirsk Russia

2. Novosibirsk State University Novosibirsk Russia

3. Kirensky Institute of Physics SB RAS, FRC “Krasnoyarsk Science Center SB RAS” Krasnoyarsk Russia

4. National Research Tomsk State University Tomsk Russia

5. Department of Chemistry Kyungpook National University Daegu Republic of Korea

Funder

Russian Foundation for Basic Research

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26610

Reference21 articles.

1. Earth-Abundant Heterogeneous Water Oxidation Catalysts

2. Solar Water Splitting Cells

3. Mechanism and Activity of Water Oxidation on Selected Surfaces of Pure and Fe-Doped NiOx

4. Operando Analysis of NiFe and Fe Oxyhydroxide Electrocatalysts for Water Oxidation: Detection of Fe4+ by Mössbauer Spectroscopy

5. Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting

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