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In-situ exsolution of FeCo nanoparticles over perovskite oxides for efficient electrocatalytic nitrate reduction to ammonia via localized electrons

Hu, Peiji ; Zhang, Xiaoqiang LU ; Xu, Min ; Lv, Yaxin ; Guo, Haoran ; Chen, Jun Song ; Ye, Xiaoyu ; Xian, Haohong ; Sun, Xuping and Li, Tingshuai (2024) In Applied Catalysis B: Environmental 357.
Abstract

FeCo nanoparticles exsolved from Co-doped Sm0.9FeO3 nanofibers with abundant oxygen vacancies (Vos) are proposed as an efficient electrocatalyst to promote nitrate reduction reaction (NITRR). Such catalyst achieves a maximum Faradaic efficiency (FE) of 90.3 % and a large NH3 yield of 17.2 mg h−1 mg−1cat. at a negatively shifted potential of −0.9 V in 0.1 M PBS with 0.1 M NaNO3, and the alloy nanoparticles socketed into nanofibers remain extremely stable during long-term electrolysis. The reaction pathway favoring the formation of NH2OH is uncovered by in situ electrochemical tests and theoretical calculations reveal the exsolution of FeCo alloy... (More)

FeCo nanoparticles exsolved from Co-doped Sm0.9FeO3 nanofibers with abundant oxygen vacancies (Vos) are proposed as an efficient electrocatalyst to promote nitrate reduction reaction (NITRR). Such catalyst achieves a maximum Faradaic efficiency (FE) of 90.3 % and a large NH3 yield of 17.2 mg h−1 mg−1cat. at a negatively shifted potential of −0.9 V in 0.1 M PBS with 0.1 M NaNO3, and the alloy nanoparticles socketed into nanofibers remain extremely stable during long-term electrolysis. The reaction pathway favoring the formation of NH2OH is uncovered by in situ electrochemical tests and theoretical calculations reveal the exsolution of FeCo alloy combined with the generation of Vos enhances nitrate adsorption and lowers energy increase of the potential determining step. Finite-element simulations unveil the applied current and charges are localized on the alloys along the nanofiber, which confirms the exsolved FeCo nanoparticles are the main active sites for NITRR.

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author
; ; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
DFT calculations, FeCo alloy, In-situ exsolution, Nitrate reduction to ammonia, Perovskite
in
Applied Catalysis B: Environmental
volume
357
article number
124267
publisher
Elsevier
external identifiers
  • scopus:85195776710
ISSN
0926-3373
DOI
10.1016/j.apcatb.2024.124267
language
English
LU publication?
yes
id
f29b1265-9599-4f48-ba16-b47edf199572
date added to LUP
2024-07-02 15:27:04
date last changed
2024-07-02 15:27:52
@article{f29b1265-9599-4f48-ba16-b47edf199572,
  abstract     = {{<p>FeCo nanoparticles exsolved from Co-doped Sm<sub>0.9</sub>FeO<sub>3</sub> nanofibers with abundant oxygen vacancies (Vos) are proposed as an efficient electrocatalyst to promote nitrate reduction reaction (NITRR). Such catalyst achieves a maximum Faradaic efficiency (FE) of 90.3 % and a large NH<sub>3</sub> yield of 17.2 mg h<sup>−1</sup> mg<sup>−1</sup><sub>cat.</sub> at a negatively shifted potential of −0.9 V in 0.1 M PBS with 0.1 M NaNO<sub>3</sub>, and the alloy nanoparticles socketed into nanofibers remain extremely stable during long-term electrolysis. The reaction pathway favoring the formation of NH<sub>2</sub>OH is uncovered by in situ electrochemical tests and theoretical calculations reveal the exsolution of FeCo alloy combined with the generation of Vos enhances nitrate adsorption and lowers energy increase of the potential determining step. Finite-element simulations unveil the applied current and charges are localized on the alloys along the nanofiber, which confirms the exsolved FeCo nanoparticles are the main active sites for NITRR.</p>}},
  author       = {{Hu, Peiji and Zhang, Xiaoqiang and Xu, Min and Lv, Yaxin and Guo, Haoran and Chen, Jun Song and Ye, Xiaoyu and Xian, Haohong and Sun, Xuping and Li, Tingshuai}},
  issn         = {{0926-3373}},
  keywords     = {{DFT calculations; FeCo alloy; In-situ exsolution; Nitrate reduction to ammonia; Perovskite}},
  language     = {{eng}},
  month        = {{11}},
  publisher    = {{Elsevier}},
  series       = {{Applied Catalysis B: Environmental}},
  title        = {{In-situ exsolution of FeCo nanoparticles over perovskite oxides for efficient electrocatalytic nitrate reduction to ammonia via localized electrons}},
  url          = {{http://dx.doi.org/10.1016/j.apcatb.2024.124267}},
  doi          = {{10.1016/j.apcatb.2024.124267}},
  volume       = {{357}},
  year         = {{2024}},
}