Facet-Dependent Lattice Oxygen Activation on Oxygen-Defective Co3O4 for Electrocatalytic Oxygen Evolution Reaction,ACS Energy Letters

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Facet-Dependent Lattice Oxygen Activation on Oxygen-Defective Co3O4 for Electrocatalytic Oxygen Evolution Reaction
ACS Energy Letters ( IF 19.3 ) Pub Date : 2024-04-12 , DOI: 10.1021/acsenergylett.4c00701
Xiang Chen _{1,

2,

3} , Xinyue Xu ₁ , Cuiping Shao ₁ , Zhongyuan Ke ₁ , Yuwen Cheng _{1,

3} , Hongqiang Jin ₂ , Yumin Da ₂ , Dongming Liu _{1,

3} , Wei Chen _{2,

4}

Affiliation

Introducing oxygen vacancies into Co-based oxides with different surface structures can significantly affect their coordination environments and electronic structures, possibly contributing to the variation of the electrocatalytic oxygen evolution reaction (OER) activity. Herein, the oxygen vacancies were introduced into Co₃O₄ cubes and truncated octahedrons to uncover the effects of facets (001) and (111) on the intrinsic OER activity of oxygen-defective Co₃O₄. The (001)-faceted Co₃O₄ cubes with oxygen vacancies exhibited a lower onset overpotential of 298 mV than that of multifaceted truncated octahedrons (335 mV) because of the sufficient lattice oxygen participation in the OER process. Theoretical calculations revealed that oxygen vacancy on (001) surfaces can upshift the O 2p band center and trigger the lattice oxygen oxidation mechanism while oxygen vacancy on (111) surfaces matched well with the absorbate evolution mechanism. This work offers a new insight for designing OER electrocatalysts by selectively introducing oxygen defects on well-defined crystal facets.

中文翻译：

氧缺陷 Co3O4 上的面依赖性晶格氧活化用于电催化析氧反应

在具有不同表面结构的钴基氧化物中引入氧空位可以显着影响其配位环境和电子结构，可能导致电催化析氧反应（OER）活性的变化。在此，将氧空位引入Co ₃ O _{4立方体和截角八面体中，以揭示面(001)和(111)对氧缺陷Co}₃ O ₄固有OER活性的影响。由于OER过程中有足够的晶格氧参与，具有氧空位的(001)面Co ₃ O ₄立方体表现出比多面截角八面体(335 mV)更低的298 mV起始过电势。理论计算表明(001)表面的氧空位可以使O 2p带中心上移并触发晶格氧氧化机制，而(111)表面的氧空位与吸收物演化机制很好地匹配。这项工作通过在明确的晶面上选择性地引入氧缺陷，为设计 OER 电催化剂提供了新的见解。

更新日期：2024-04-12

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