A review on fundamentals for designing oxygen evolution electrocatalysts

A review on fundamentals for designing oxygen evolution electrocatalysts

2020 | Song, Jiajia; Wei, Chao; Huang, Zhen-Feng; Liu, Chuntai; Zeng, Lin; Wang, Xin; Xu, Zhichuan Jason
The article provides a comprehensive review of the fundamentals for designing oxygen evolution electrocatalysts (OER). It highlights the importance of understanding the OER mechanism and the origin of the reaction overpotential to develop efficient and low-cost catalysts. The review covers both theoretical and experimental aspects, focusing on the conventional adsorbate evolution mechanism (AEM) and the lattice oxygen-mediated mechanism (LOM). Key points include: 1. **AEM and Its Scaling Relations**: The AEM involves four steps, and the scaling relation between the adsorption energies of intermediates (HO*, HOO*, and O*) is crucial for understanding catalyst performance. The volcano plot and descriptors like (ΔG0*-ΔGHO*) are used to predict catalytic activity. 2. **Strategies to Improve OER Activity**: Techniques such as substitution of foreign elements, generation of vacancies, strain engineering, and interface engineering are discussed to optimize the electronic structure and improve catalyst activity. 3. **Descriptors for OER Activity**: Descriptors like e_g orbital occupancy and metal-oxygen covalency are used to predict OER activity. These descriptors influence the binding strength of intermediates and the overall catalytic performance. 4. **Design Beyond the Volcano**: Strategies to break the scaling relation in AEM include stabilizing HOO*, introducing proton acceptors, and activating lattice oxygen through LOM. These methods can significantly reduce the overpotential for OER. 5. **LOM in Perovskites and Other Materials**: LOM involves direct O-O coupling, bypassing the scaling relation and improving OER activity. The participation of lattice oxygen in OER is confirmed in various materials, including perovskites and non-noble metals. The review emphasizes the need for a fundamental understanding of OER mechanisms to design more efficient and cost-effective catalysts for electricity-driven water splitting.The article provides a comprehensive review of the fundamentals for designing oxygen evolution electrocatalysts (OER). It highlights the importance of understanding the OER mechanism and the origin of the reaction overpotential to develop efficient and low-cost catalysts. The review covers both theoretical and experimental aspects, focusing on the conventional adsorbate evolution mechanism (AEM) and the lattice oxygen-mediated mechanism (LOM). Key points include: 1. **AEM and Its Scaling Relations**: The AEM involves four steps, and the scaling relation between the adsorption energies of intermediates (HO*, HOO*, and O*) is crucial for understanding catalyst performance. The volcano plot and descriptors like (ΔG0*-ΔGHO*) are used to predict catalytic activity. 2. **Strategies to Improve OER Activity**: Techniques such as substitution of foreign elements, generation of vacancies, strain engineering, and interface engineering are discussed to optimize the electronic structure and improve catalyst activity. 3. **Descriptors for OER Activity**: Descriptors like e_g orbital occupancy and metal-oxygen covalency are used to predict OER activity. These descriptors influence the binding strength of intermediates and the overall catalytic performance. 4. **Design Beyond the Volcano**: Strategies to break the scaling relation in AEM include stabilizing HOO*, introducing proton acceptors, and activating lattice oxygen through LOM. These methods can significantly reduce the overpotential for OER. 5. **LOM in Perovskites and Other Materials**: LOM involves direct O-O coupling, bypassing the scaling relation and improving OER activity. The participation of lattice oxygen in OER is confirmed in various materials, including perovskites and non-noble metals. The review emphasizes the need for a fundamental understanding of OER mechanisms to design more efficient and cost-effective catalysts for electricity-driven water splitting.
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