Almost a quarter of the energy consumed globally is directly or indirectly related to the use of a catalytic process. Conventional nanoparticle-based catalysts recently witnessed the dawn of its potential successor—heterogeneous single-atom catalysts (SACs), which allow the maximum possible dispersion of metal atoms on the catalyst surface, possess unparalleled electronic structure and geometric configuration, and exhibit, otherwise, exceptional performance in a range of energy-related applications. Herein, we critically review the use of heterogeneous SACs in the generation and conversion of hydrocarbons, oxygenates, H₂ fuel, ammonia, commodity and fine chemicals, and the electrochemical energy storage in and release from batteries. We describe the importance of those energy-related compounds in the current energy infrastructure and discuss how catalysis—in particular, single-atom catalysis—can be used more effectively in each application. At last, general guidelines and trends guiding the future design of stable and efficient single-atom catalysts for sustainable energy transformations are provided.

全球消耗的能源中有近四分之一与催化过程的使用直接或间接相关。最近，传统的基于纳米颗粒的催化剂见证了其潜在的后继者的诞生-非均相单原子催化剂（SAC），该催化剂可最大程度地分散金属原子在催化剂表面上的分布，具有无与伦比的电子结构和几何构型，并且具有其他用途，在一系列与能源相关的应用中表现出色。在这里，我们批判性地回顾了异构SAC在碳氢化合物，含氧化合物，H ₂的产生和转化中的使用。燃料，氨气，商品和精细化学品，以及电化学能量存储在电池中以及从电池中释放出来。我们描述了那些与能源有关的化合物在当前能源基础设施中的重要性，并讨论了如何在每种应用中更有效地利用催化作用，尤其是单原子催化作用。最后，提供了一般指导方针和趋势，这些指导方针和趋势指导着未来设计稳定，高效的单原子催化剂以实现可持续的能源转化。