权益分类	功能权益	普通用户	{{item.name}}会员
{{category.name}}	{{benefitItem.name}}

Molecular stopwatch measurements of dynamics in catalysts, battery electrolytes and ionic liquids in situ

催化剂、电池电解质和离子液体动力学的分子秒表原位测量

基本信息

批准号：
MR/S015574/1
负责人：
Paul Donaldson
金额：
$ 107.17万
依托单位：
Science and Technology Facilities Council
依托单位国家：
英国
项目类别：
Fellowship
财政年份：
2019
资助国家：
英国
起止时间：
2019 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=MR%2FS015574%2F1
关键词：
Molecular stopwatch measurements dynamics catalysts

项目摘要

'Clean growth' and 'Future of mobility' are two challenges in the UK government's industrial strategy. From these challenges are a call for the physical sciences to respond with a better understanding, better predictions and novel ideas in catalysis, battery and fuel cell science at the molecular level. There are many basic, but unanswered questions remaining in these fields. How do molecules react in the pores of Zeolite Catalysts? How does water react at the surface of catalysts to form Hydrogen and Oxygen? What is the mechanism of proton conduction in ionic liquids? Of the many experimental methods available to address these questions, none can easily report on the fastest timescales of molecular motion (femtoseconds), or initiate a reaction fast enough in a heterogeneous catalyst to separate out the earliest steps. This proposal outlines a vision for a UKRI future leaders fellowship to change this by centering on developing and applying new, cutting edge ultrafast IR methods in-situ to answer these key molecular dynamical questions in catalysis, ionic liquids and fuel cell electrolytes. The experiments proposed will reach out to reveal the fastest timescales of the motions and chemical transformations of the key molecules involved - information currently inaccessible to researchers in the field. This information will i) reveal new aspects of the behaviour of these complex molecular systems, ii) provide information that can guide and verify molecular dynamics simulations (one of the best predictive tools available to chemical scientists) and iii) be used as a powerful means of empirically comparing the behavior of different catalysts or electrolytes.

“清洁增长”和“移动性的未来”是英国政府工业战略中的两大挑战。从这些挑战中，我们呼吁物理科学在分子水平上对催化、电池和燃料电池科学有更好的理解、更好的预测和新的想法。这些领域还有许多基本但尚未解答的问题。分子如何在沸石催化剂的孔隙中反应？水如何在催化剂表面反应生成氢气和氧气？离子液体中质子传导的机理是什么？在解决这些问题的许多实验方法中，没有一种方法可以轻松地报告分子运动的最快时间尺度（飞秒），或者在多相催化剂中启动足够快的反应以分离出最早的步骤。该提案概述了UKRI未来领导者奖学金的愿景，通过集中开发和应用新的，尖端的超快红外方法来改变这一现状，以回答催化，离子液体和燃料电池电解质中的这些关键分子动力学问题。所提出的实验将揭示所涉及的关键分子的运动和化学转化的最快时间尺度-该领域的研究人员目前无法获得的信息。这些信息将i）揭示这些复杂分子系统行为的新方面，ii）提供可以指导和验证分子动力学模拟（化学科学家可用的最佳预测工具之一）的信息，iii）用作经验比较不同催化剂或电解质行为的有力手段。