As one of the most important chemicals and carbon-free energy carriers, ammonia (NH₃) has a worldwide annual production of ∼150 million tons, and is mainly produced by the traditional high-temperature and high-pressure Haber–Bosch process which consumes massive amounts of energy. Very recently, electrocatalytic and photo(electro)catalytic reduction of N₂ to NH₃, which can be performed at ambient conditions using renewable energy, have received tremendous attention. The overall performance of these electrocatalytic and photo(electro)catalytic systems is largely dictated by their core components, catalysts. This perspective for the first time highlights the rational design of electrocatalysts and photo(electro)catalysts for N₂ reduction to NH₃ under ambient conditions. Fundamental theory of catalytic reaction pathways for the N₂ reduction reaction and the corresponding material design principles are introduced first. Then, recently developed electrocatalysts and photo(electro)catalysts are summarized, with a special emphasis on the relationship between their physicochemical properties and NH₃ production performance. Finally, the opportunities in this emerging research field, in particular, the strategy of combining experimental and theoretical techniques to design efficient and stable catalysts for NH₃ production, are outlined.

中文翻译：

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在环境条件下将氮还原为氨气（NH ₃）的电催化剂和光（电）催化剂的合理设计

作为最重要的化学物质和无碳能源载体之一，氨气（NH ₃）在世界范围内的年产量约为1.5亿吨，并且主要是通过传统的高温高压哈伯-博世（Haber-Bosch）工艺生产的，大量的能量。最近，可以在环境条件下使用可再生能源进行的N ₂到NH _3的电催化还原和光（电）催化还原已经引起了极大的关注。这些电催化和光（电）催化系统的整体性能在很大程度上取决于其核心组分催化剂。这种观点首次凸显了N _2的电催化剂和光（电）催化剂的合理设计。在环境条件下还原为NH ₃。首先介绍了N ₂还原反应的催化反应途径的基本理论和相应的材料设计原理。然后，总结了最近开发的电催化剂和光（电）催化剂，并特别强调了它们的理化性质与NH ₃生产性能之间的关系。最后，概述了这一新兴研究领域中的机遇，特别是将实验和理论技术相结合的策略来设计用于生产NH _3的高效稳定催化剂的策略。