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Tuning the Spin State of Co3+ by Crystal Facet Engineering for Enhancing the Oxygen Evolution Reaction Activity
Chemistry of Materials ( IF 7.2 ) Pub Date : 2022-11-17 , DOI: 10.1021/acs.chemmater.2c02574
Chengrong Wu 1 , Yan Sun 1 , Zhenni Yang 1 , Jinyuan Hu 1 , Tian-Yi Ding 1 , Jun Cheng 1 , Kelvin H. L. Zhang 1
Affiliation  

The spin configuration is vital for oxygen evolution reaction (OER) activity because it has a strong effect on the adsorption/desorption ability of electrochemical reaction intermediates and the electronic properties of the catalyst. Here, we demonstrate the control of crystal facets to raise the Co3+ spin state in double perovskite PrBaCo2O6 (PBCO) single-crystal thin films and thereby optimize catalytic performance for the OER. The spin configuration of Co3+ at room temperature was studied in detail. The result indicates that different deformations of the CoO6 octahedrons induced by different crystal facets increase the Co3+ spin states. The PBCO(100) films possess stronger adsorption of OER intermediate products, enhancing Co 3d–O 2p hybridization, and faster charge transfer, representing optimal OER activity compared to PBCO(110) and PBCO(111) films. This work deepens our understanding of the relationship between enhanced OER activity and spin configuration of Co ions at room temperature and provides a new design strategy for perovskite oxide catalysts.

中文翻译:

通过晶面工程调整 Co3+ 的自旋态以增强析氧反应活性

自旋构型对于析氧反应 (OER) 活性至关重要,因为它对电化学反应中间体的吸附/解吸能力和催化剂的电子性质有很大影响。在这里,我们展示了控制晶面以提高双钙钛矿 PrBaCo 2 O 6 (PBCO) 单晶薄膜中的 Co 3+自旋态,从而优化 OER 的催化性能。详细研究了室温下Co 3+的自旋构型。结果表明,不同晶面引起的CoO 6八面体的不同变形增加了Co 3+自旋状态。PBCO(100) 薄膜对 OER 中间产物具有更强的吸附性,增强了 Co 3d-O 2p 杂化和更快的电荷转移,与 PBCO(110) 和 PBCO(111) 薄膜相比具有最佳的 OER 活性。这项工作加深了我们对增强的 OER 活性与室温下 Co 离子自旋构型之间关系的理解,并为钙钛矿氧化物催化剂提供了一种新的设计策略。
更新日期:2022-11-17
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