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将大气资源丰富的氮气在温和条件下转化为氨具有重要科学意义。但构建低能耗、高效率的金属催化固氮循环过程依然是科学家们面临的巨大挑战。表面单分散的双金属团簇由于独特的配位环境可通过双金属的协同作用加速反应物的解离并促进与其他底物分子的相互作用，为设计活化双氮合成氨的反应路径提供了可能的环境。
表面双金属团簇上氮气活化机理的理论研究
【摘 要】
：
将大气资源丰富的氮气在温和条件下转化为氨具有重要科学意义。但构建低能耗、高效率的金属催化固氮循环过程依然是科学家们面临的巨大挑战。表面单分散的双金属团簇由于
【机 构】
：
清华大学化学系,北京100084
【出 处】
：
第十三届全国量子化学会议
【发表日期】
：
2017年期
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