Electrocatalysts play critical roles in the renewable electrochemical energy storage and conversion systems. The conventional noble metal‐based electrocatalysts cannot satisfy the demand of large‐scale manufacturing due to their high‐price and scarce reserves in the earth. Therefore, rational designing of transition metal‐based materials to endow high activity, selectivity, stability, and low cost has been regarded as an alternative of noble metal‐based materials. Here, recent effective and facile strategies to rationally design transition metal‐based electrocatalysts, such as increasing the number active sties, improving the utilization of active sites (atomic‐scale catalysts), modulating the electron configurations, as well as controlling the lattice facets, for oxygen reduction reaction, oxygen evolution reaction, hydrogen evolution reaction, and CO₂ reduction reaction, are summarized. It is believed that based on the understanding of fundamental design principles, well‐designed non‐noble metal and even metal free electrocatalysts would further make the electrochemical energy conversion and storage great promise in the future.

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用于高效电催化的过渡金属基材料的合理设计

电催化剂在可再生电化学能量存储和转换系统中起关键作用。常规的贵金属基电催化剂由于价格昂贵且在地球上稀少而不能满足大规模生产的需求。因此，合理设计过渡金属基材料以赋予其高活性，选择性，稳定性和低成本，已被视为贵金属基材料的替代方案。在这里，最近的有效且可行的策略是合理设计过渡金属基电催化剂的方法，例如增加活性金属的数量，提高活性位点的利用率（原子级催化剂），调节电子构型以及控制晶格面，用于氧气还原反应，氧气析出反应，氢气析出反应，₂还原反应，概述。相信基于对基本设计原理的理解，精心设计的非贵金属甚至不含金属的电催化剂将进一步使电化学能量的转化和储存在未来具有广阔的前景。