Harnessing dynamic materials to produce better heterogeneous catalysts

利用动态材料生产更好的多相催化剂

• 批准号: DE220100163
• 负责人: Dr Jack Evans
• 金额: $ 29.56万
• 依托单位: The University of Adelaide
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Early Career Researcher Award
• 财政年份: 2022
• 资助国家: 澳大利亚
• 起止时间: 2022-12-31 至 2025-12-30
• 项目状态: 未结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DE220100163
• 关键词: Harnessing; dynamic; materials; produce; better

This project aims to investigate an emerging class of catalysts featuring dynamic reaction sites using innovative computational chemistry methods. The capability of traditional materials has reached a performance status quo for many catalytic reactions. Dynamic materials may unlock a new dimension in catalyst design; however, their influence on reactivity is unclear, and the combination of materials and dynamics represents an immense parameter space. This project expects to provide a comprehensive framework for understanding dynamic catalytic processes. Expected outcomes of this project include the identification of specific materials and dynamics that achieve extraordinary efficiency for the benefit of sustainable chemical production.

该项目旨在利用创新的计算化学方法研究一类新兴的具有动态反应位点的催化剂。传统材料的能力已经达到了许多催化反应的性能现状。动态材料可能会开启催化剂设计的新维度；然而，它们对反应性的影响尚不清楚，材料和动力学的结合代表了巨大的参数空间。该项目期望为理解动态催化过程提供一个全面的框架。该项目的预期成果包括确定特定材料和动力学，以实现非凡的效率，从而促进可持续化学生产。