A Collaborative Computational and Experimental Approach to Investigate Ammonia Oxidation Reaction Mechanisms

研究氨氧化反应机制的协同计算和实验方法

基本信息

  • 批准号:
    580245-2022
  • 负责人:
  • 金额:
    $ 1.82万
  • 依托单位:
  • 依托单位国家:
    加拿大
  • 项目类别:
    Alliance Grants
  • 财政年份:
    2022
  • 资助国家:
    加拿大
  • 起止时间:
    2022-01-01 至 2023-12-31
  • 项目状态:
    已结题

项目摘要

Hydrogen is widely recognized as a mechanism to transition from a fossil fuel dependent energy economy to greener alternatives. Canada has targeted an ambitious goal to be net-carbon neutral by 2050 and our national strategy relies heavily on the production of clean hydrogen for both domestic use and international export. A critical aspect of the hydrogen economy is the development of practicable means to store and transport hydrogen. Ammonia, NH3, is a highly appealing hydrogen carrier given its hydrogen density and the fact that infrastructure is already in place to liquefy and transport it. However, for ammonia to be a viable option for hydrogen transport, efficient means must be developed to liberate hydrogen from ammonia at the point of energy production in a process known as the ammonia oxidation reaction (AOR). Better electrochemical catalysts are needed to improve the energy efficiency (amount of hydrogen liberated per unit of input energy) of the AOR. The goal of this International Alliance Catalyst collaboration is to combine the computational expertise in catalyst design of a US-based partner with the expertise in electrode surface characterization (developed and fostered by Canadian funding) of the applicant to achieve new understanding of the AOR mechanism, leading to improved AOR electrocatalysis.
氢被广泛认为是从依赖化石燃料的能源经济向更环保的能源经济过渡的一种机制。加拿大制定了一个雄心勃勃的目标,即到2050年实现净碳中和,我们的国家战略在很大程度上依赖于生产用于国内使用和国际出口的清洁氢。氢经济的一个关键方面是开发可行的储存和运输氢的手段。氨(NH3)是一种极具吸引力的氢载体,因为它的氢密度高,而且液化和运输它的基础设施已经到位。然而,为了使氨成为氢运输的可行选择,必须开发有效的方法,在氨氧化反应(AOR)的过程中,在能源生产点从氨中释放氢。为了提高AOR的能量效率(单位输入能量释放氢的量),需要更好的电化学催化剂。此次国际催化剂联盟合作的目标是将美国合作伙伴在催化剂设计方面的计算专业知识与申请人在电极表面表征方面的专业知识(由加拿大资助开发和培养)结合起来,以实现对AOR机制的新理解,从而改进AOR电催化。

项目成果

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