电催化剂
催化作用
过渡金属
析氧
纳米技术
材料科学
氧化物
掺杂剂
电化学
化学
兴奋剂
物理化学
冶金
电极
光电子学
生物化学
作者
Francesca Fasulo,Arianna Massaro,Adriana Pecoraro,Ana B. Muñoz‐García,Michele Pavone
标识
DOI:10.1016/j.coelec.2023.101412
摘要
The catalytic activity of transition metal oxides (TMOs) for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is crucial for various electrochemical devices for energy conversion and storage. While electronic properties are considered the key factor influencing TMOs reactivity, the specific surface chemistry has been usually neglected despite its pivotal influence on the catalytic features. In particular, punctual defects like vacancies and/or dopants can induce changes in electronic and structural features of TMOs surfaces, tuning the activity of the catalytic sites. Here, we provide a comprehensive overview of defect-driven surface reconstructions and their crucial role in boosting OER/ORR electrocatalysis in TMOs, reviewing main findings from recent first-principles investigations.
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