Tailoring the Co 3d-O 2p Covalency in LaCoO3 by Fe Substitution To Promote Oxygen Evolution Reaction
Тип публикации: Journal Article
Дата публикации: 2017-12-13
scimago Q1
wos Q1
БС1
SJR: 2.065
CiteScore: 12.0
Impact factor: 7.0
ISSN: 08974756, 15205002
Materials Chemistry
General Chemistry
General Chemical Engineering
Краткое описание
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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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.
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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 -
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BibTex (до 50 авторов)
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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}
}
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MLA
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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.