Progress in the catalyst design and mechanistic elucidation of the thermocatalytic production of green ammonia

Abstract

While the Haber–Bosch process enables large-scale industrial ammonia production, harsh operating conditions together with fossil fuel-derived hydrogen underscore the urgency for the development of efficient green ammonia synthesis strategies, considering the massive energy consumption and huge carbon emissions. Herein, the mechanistic insights into ammonia synthesis are discussed. Then, the novel strategies for catalyst design, including spin promotion, electron regulation, vacancy engineering and structure optimization, are investigated, aimed at optimizing the operating conditions and enhancing the catalytic efficiency to achieve green ammonia synthesis. Based on a comprehensive understanding of the current state of the industry and AI development, it is anticipated that in the future, experimental design of catalysts can be scaled up to industrial applications through pilot testing and AI screening.