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阴离子掺杂的LaSrCoO用于氧还原和析氧反应的双功能催化活性。

Bifunctional catalytic activity of anion-doped LaSrCoO for oxygen reduction and evolution reactions.

作者信息

Nozawa Ittoku, Hagiwara Hidehisa

机构信息

Hydrogen Isotope Research Center Organization for Promotion of Research, University of Toyama, 3190 Gofuku, Toyama 930-8555, Japan.

出版信息

R Soc Open Sci. 2024 Oct 9;11(10):240387. doi: 10.1098/rsos.240387. eCollection 2024 Oct.

DOI:10.1098/rsos.240387
PMID:39386985
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11462150/
Abstract

Here, we synthesized Co-based, anion-incorporated‍ ‌R‌u‌d‌d‌l‌e‌s-d‌e‌n‌-‌Popper perovskite electrocatalysts (LaSrCoO X ) and compared their catalytic performances in the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). The ORR mechanism with the newly synthesized F-doped LaSrCoO catalyst was dominated by a four-electron process, and the number of electrons involved in the reaction increased compared with that for LaSrCoO. The OER activity of the hydride-doped LaSrCoO catalyst was the highest among the LaSrCoO system catalysts. Density functional theory calculations revealed that there is a correlation between the Co 3d unoccupied orbital band centre and the OER activity. The addition of anions and substitution of metal sites improved the ORR and OER activities of the catalysts. Our findings confirmed that the addition of heteroatom anions can improve the activity of perovskite-type electrocatalysts, promoting their application in various fields.

摘要

在此，我们合成了基于钴的、掺入阴离子的鲁德尔斯登-波珀钙钛矿型电催化剂（LaSrCoOₓ），并比较了它们在氧还原反应（ORR）和析氧反应（OER）中的催化性能。新合成的氟掺杂LaSrCoO催化剂的ORR机理以四电子过程为主导，与LaSrCoO相比，反应中涉及的电子数增加。氢化物掺杂的LaSrCoO催化剂的OER活性在LaSrCoO体系催化剂中最高。密度泛函理论计算表明，Co 3d未占据轨道带中心与OER活性之间存在相关性。阴离子的加入和金属位点的取代提高了催化剂的ORR和OER活性。我们的研究结果证实，杂原子阴离子的加入可以提高钙钛矿型电催化剂的活性，促进其在各个领域的应用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44a1/11462150/7b3a16a0a7eb/rsos.240387.f008.jpg
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本文引用的文献

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