Tailoring the Co 3d-O 2p Covalency in LaCoO3 by Fe Substitution To Promote Oxygen Evolution Reaction
Publication type: Journal Article
Publication date: 2017-12-13
scimago Q1
wos Q1
SJR: 2.065
CiteScore: 12.0
Impact factor: 7.0
ISSN: 08974756, 15205002
Materials Chemistry
General Chemistry
General Chemical Engineering
Abstract
LaCoO3 is an active, stable catalyst in alkaline solution for oxygen evolution reaction (OER). With lower cost, it is a potential alternative to precious metal oxides like IrO2 and RuO2 in water electrolysis. However, room still remains for improving its activity according to recent understandings of OER on perovskite oxides. In this work, Fe substitution has been introduced in LaCoO3 to boost its OER performance. Density function theory (DFT) calculation verified that the enhanced performance originates from the enhanced Co 3d-O 2p covalency with 10 at% Fe substitution in LaCoO3. Both DFT calculations and Superconducting Quantum Design (SQUID) magnetometer (MPMS-XL) showed a Co3+ spin state transition from generally low spin state (LS: t2g6 eg0, S = 0) to a higher spin state with the effect of 10 at% Fe substitution. X-ray absorption near-edge structure (XANES) supports DFT calculations on an insulator to half-metal transition with 10 at% Fe substitution, induced by spin state transition. The half-metall...
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340
Total citations:
340
Citations from 2024:
103
(30%)
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GOST
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Duan Y. et al. Tailoring the Co 3d-O 2p Covalency in LaCoO3 by Fe Substitution To Promote Oxygen Evolution Reaction // Chemistry of Materials. 2017. Vol. 29. No. 24. pp. 10534-10541.
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Xi S., Ren X., Yang H., Du Y. Tailoring the Co 3d-O 2p Covalency in LaCoO3 by Fe Substitution To Promote Oxygen Evolution Reaction // Chemistry of Materials. 2017. Vol. 29. No. 24. pp. 10534-10541.
Cite this
RIS
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TY - JOUR
DO - 10.1021/acs.chemmater.7b04534
UR - https://doi.org/10.1021/acs.chemmater.7b04534
TI - Tailoring the Co 3d-O 2p Covalency in LaCoO3 by Fe Substitution To Promote Oxygen Evolution Reaction
T2 - Chemistry of Materials
AU - Xi, Shibo
AU - Ren, Xiao
AU - Yang, Haitao
AU - Du, Yonghua
PY - 2017
DA - 2017/12/13
PB - American Chemical Society (ACS)
SP - 10534-10541
IS - 24
VL - 29
SN - 0897-4756
SN - 1520-5002
ER -
Cite this
BibTex (up to 50 authors)
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@article{2017_Duan,
author = {Shibo Xi and Xiao Ren and Haitao Yang and Yonghua Du},
title = {Tailoring the Co 3d-O 2p Covalency in LaCoO3 by Fe Substitution To Promote Oxygen Evolution Reaction},
journal = {Chemistry of Materials},
year = {2017},
volume = {29},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021/acs.chemmater.7b04534},
number = {24},
pages = {10534--10541},
doi = {10.1021/acs.chemmater.7b04534}
}
Cite this
MLA
Copy
Duan, Yan, et al. “Tailoring the Co 3d-O 2p Covalency in LaCoO3 by Fe Substitution To Promote Oxygen Evolution Reaction.” Chemistry of Materials, vol. 29, no. 24, Dec. 2017, pp. 10534-10541. https://doi.org/10.1021/acs.chemmater.7b04534.
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