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Rational Design of Single-Atom Site Electrocatalysts: From Theoretical Understandings to Practical Applications

机译：单原子网站电催化的合理设计：从实际应用的理论谅解

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摘要

Atomically dispersed metal-based electrocatalysts have attracted increasing attention due to their nearly 100% atomic utilization and excellent catalytic performance. However, current fundamental comprehension and summaries to reveal the underlying relationship between single-atom site electrocatalysts (SACs) and corresponding catalytic application are rarely reported. Herein, the fundamental understandings and intrinsic mechanisms underlying SACs and corresponding electrocatalytic applications are systemically summarized. Different preparation strategies are presented to reveal the synthetic strategies with engineering the well-defined SACs on the basis of theoretical principle (size effect, metal-support interactions, electronic structure effect, and coordination environment effect). Then, an overview of the electrocatalytic applications is presented, including oxygen reduction reaction, hydrogen evolution reaction, oxygen evolution reaction, oxidation of small organic molecules, carbon dioxide reduction reaction, and nitrogen reduction reaction. The underlying structure-performance relationship between SACs and electrocatalytic reactions is also discussed in depth to expound the enhancement mechanisms. Finally, a summary is provided and a perspective supplied to demonstrate the current challenges and opportunities for rational designing, synthesizing, and modulating the advanced SACs toward electrocatalytic reactions.
机译：由于其近100％原子使用和优异的催化性能，原子上分散的金属基电催化剂引起了越来越多的关注。然而，很少报道目前揭示单原子网站电催化剂（SAC）和相应的催化应用之间的潜在关系的基本理解和摘要。本文，系统总结了囊和相应的电催化应用的基本谅解和内在机制。提出了不同的制备策略，以揭示基于理论原理（尺寸效应，金属支持相互作用，电子结构效应和协调环境效果）的综合策略。然后，提出了电催化应用的概述，包括氧还原反应，氢进化反应，氧气进化反应，小有机分子的氧化，二氧化碳还原反应和氮气还原反应。囊和电催化反应之间的潜在结构 - 性能关系也深入讨论以阐述增强机制。最后，提供了一个摘要，并提供了一种透视，以证明理性设计，合成和调节对电催化反应的先进囊的当前挑战和机会。

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