Theoretical design, experimental verification and application of nano-alloy catalysts in the field of chemical engineering

化工领域金属合金纳米催化剂的理论设计、实验验证和应用研究

1. Catalyst Design: A new method of catalyst design based on "structure descriptor" was proposed, and "intelligent calculation and design platform of nano-alloy catalyst" was independently developed, which has been successfully applied to the design of electrocatalysts, petrochemical catalysts and environmental catalysts.

催化剂设计： 提出了基于“结构描述符”的催化剂设计新方法，自主开发了“金属合金纳米催化剂智能计算设计平台”，已成功应用于电催化剂、石油化工催化剂和环保催化剂的设计。

2. Electrochemical Experiment: Directional prepare metal alloy electrocatalysts and atomic-scale dispersed electrocatalysts based on the rational design results through structure descriptors, mainly used for hydrogen generation by water electrolysis, hydrogen-oxygen fuel cells and so on.

电化学实验: 基于结构描述符的催化剂设计结果，开展金属合金电催化剂、原子级分散电催化剂的定向制备，主要应用于电解水制氢和氢氧燃料电池等。

3. Industrial Application Research: Research and develop highly active and selective industrial catalysts based on the rational design results through structure descriptors, applied in ethylene epoxidation, hydrogenation of C2/C4, direct synthesis of hydrogen peroxide, advanced treatment of organic wastewater and other important industrial reactions.

工业应用研究： 基于结构描述符的催化剂设计结果，研究开发高活性和选择性的工业催化剂，应用于包括乙烯环氧化、C2/C4加氢、直接合成双氧水和深度处理有机废水等重要工业反应。