EAGER: Developing a New Generation of CO2 Reduction Catalysts - A Computer-Aided Experimental Design Approach

EAGER：开发新一代二氧化碳减排催化剂 - 计算机辅助实验设计方法

• 批准号: 1001589
• 负责人: Mu-Hyun Baik
• 金额: $ 28.38万
• 依托单位: Indiana University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-04-15 至 2012-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1001589&HistoricalAwards=false
• 关键词: EAGER; Developing; New; Generation; CO2

Professor Mu-Hyun Baik of Indiana University is supported by the Chemical Catalysis Program in the Division of Chemistry to develop a rational design for the synthesis of new organometallic catalysts for CO2 reduction. A series of integrated computational and experimental studies are proposed that aim at delineating the mechanism of CO2 activation with Tanaka's [Ru(tpy)(bpy)(CO)]2+ catalytic system. The results will lay the foundation for the systematic development of new catalytic systems with cheap Fe/Co centers as a viable substitute for expensive ruthenium-based catalysts for CO2 reduction to commercially-important starting materials. A Graduate students and a postdoc will be trained in integrated theoretical and experimental approaches towards the design of practical catalytic systems.

印第安纳州大学的Mu-Hyun Baik教授在化学系化学催化项目的支持下，开发了用于二氧化碳还原的新型有机金属催化剂合成的合理设计。本文对Tanaka [Ru（tpy）（bpy）（CO）]2+催化体系活化CO2的机理进行了一系列的计算和实验研究。这些结果将为系统开发具有廉价Fe/Co中心的新催化体系奠定基础，该催化体系可作为昂贵的铼基催化剂的可行替代品，用于将CO2还原为具有商业重要性的起始原料。研究生和博士后将接受综合理论和实验方法的培训，以设计实用的催化系统。