Innovating Photocatalysis with Sulphide Perovskite Materials

利用硫化物钙钛矿材料创新光催化

• 批准号: EP/Z000343/1
• 负责人: Ludmilla Steier
• 金额: $ 220.57万
• 依托单位: University of Oxford
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2024
• 资助国家: 英国
• 起止时间: 2024 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FZ000343%2F1
• 关键词: Innovating; Photocatalysis; Sulphide; Perovskite; Materials

The implementation of the European Green Deal is one of the highest priorities and biggest challenges of theEuropean Union today. Accelerating the decarbonisation of our economy requires the cost-effective generationof green hydrogen, large-scale and long-term (seasonal) hydrogen storage solutions and the development ofnew ways to utilise hydrogen as a chemical feedstock. PHOTOCAT3.0 will address these challenges bypioneering the development of next-generation sulphide perovskite photocatalysts that efficiently producegreen hydrogen, store it in form of ammonia and utilise it in the synthesis of chemicals from CO2These next-gen photocatalysts will excel in light-harvesting across the visible light spectrum as well as in theselective breaking and making of chemical bonds targeting high-value products. For the design of thephotocatalysts, this project takes inspiration from nature's approach to tackling some of the same chemicaltransformations with metallo-sulphur cluster-containing enzymes (hydrogenase, nitrogenase and carbonmonoxide and formate dehydrogenases), and, on the other hand, from high-performant photovoltaic materialssuch as copper indium gallium sulphides and selenides and lead halide perovskites. The objectives ofPHOTOCAT3.0 are i) to pioneer the development of low-temperature atomic layer deposition routes to highqualityhighly defined sulphide perovskite photocatalysts, ii) to establish an unprecedented understanding ofoptoelectronic and surface catalytic properties of this emerging class of materials through advancedcharacterisation techniques, iii) to benchmark their performance in photocatalytic transformations of smallmolecules with enormous economic and environmental importance and iv) to accelerate material discoveryusing Bayesian optimisation to predict optimum catalytic performance from a minimum set of experimentsand samples. This approach will produce the urgently needed efficiency breakthroughs of photocatalyticsystems.

实施欧洲绿色新政是当今欧盟的最高优先事项和最大挑战之一。加速我们经济的脱碳需要以具有成本效益的方式生产绿色氢、大规模和长期（季节性）储氢解决方案以及开发利用氢作为化学原料的新方法。 PHOTOCAT3.0 将通过开拓下一代硫化物钙钛矿光催化剂的开发来解决这些挑战，这些光催化剂可以有效地产生绿色氢，以氨的形式储存它，并利用它从二氧化碳合成化学品。这些下一代光催化剂将在整个领域的光捕获方面表现出色。可见光谱以及针对高价值产品的化学键的选择性断裂和形成。对于光催化剂的设计，该项目的灵感来自于利用含金属硫簇的酶（氢化酶、固氮酶、一氧化碳和甲酸脱氢酶）处理一些相同化学转化的自然方法，另一方面，也来自高性能光伏材料，例如铜铟镓硫化物和硒化物以及卤化铅钙钛矿。 PHOTOCAT3.0 的目标是 i) 率先开发高质量、高度明确的硫化物钙钛矿光催化剂的低温原子层沉积路线，ii) 通过先进的表征技术对这类新兴材料的光电和表面催化特性建立前所未有的了解，iii ) 衡量其在具有巨大经济和环境重要性的小分子光催化转化中的性能基准，以及 iv) 使用贝叶斯优化来预测最佳值，加速材料发现通过最少的实验和样品来确定催化性能。这种方法将带来光催化系统急需的效率突破。