甲酸制氢用单金属原子催化剂

D. A. Bulushev, L. G. Bulusheva
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引用次数: 31

摘要

甲酸是一种液态有机氢载体。已知金属和金属络合催化剂可以催化甲酸制氢和甲酸作为氢供体的氢转移反应。在这篇综述中,我们将证明单金属原子的非均相催化剂在这些反应中是有希望的。重点研究了石墨烯片边缘或空位上的吡啶氮原子稳定的单原子催化剂。含有这些位点的催化剂的活性往往超过含有纳米颗粒的催化剂。我们考虑应用不同的物理方法和密度泛函理论计算来确定单原子活性位点的性质和反应机理。这些位点的配合显著影响它们在上述反应中的性能。本文对新型高效催化剂的开发具有一定的参考价值。
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Catalysts with single metal atoms for the hydrogen production from formic acid
ABSTRACT Formic acid is a liquid organic hydrogen carrier. Metal and metal-complex catalysts are known to catalyze the hydrogen production from formic acid and hydrogen transfer reactions with formic acid as a hydrogen donor. In this review, we will show that heterogeneous catalysts with single metal atoms are promising for these reactions. The main emphasis is done to the catalysts with single atoms stabilized by pyridinic nitrogen atoms on the edge or vacancy sites of graphene sheets. The activity of the catalysts containing these sites often exceeds that of the catalysts with nanoparticles. We consider application of different physical methods and density functional theory calculations to establish the nature of single-atom active sites and reaction mechanism. Coordination of these sites significantly affects their performance in the mentioned reactions. This review could be useful for development of novel efficient catalysts.
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