Trends in the Hydrogen Evolution Activity of Metal Carbide Catalysts
Trends in the Hydrogen Evolution Activity of Metal Carbide Catalysts
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DOI：
10.1021/cs500056u
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发表时间：
2014-05-01
期刊：
影响因子：
12.9
通讯作者：
Peterson, Andrew A.
中科院分区：
文献类型：
--
作者：
Michalsky, Ronald;Zhang, Yin-Jia;Peterson, Andrew A.
金属碳化物催化剂是用于电化学能量转换装置（例如用于H-2燃料电池或电解槽）的替代非贵金属电极材料。在这篇文章中，我们报告的实验交换电流密度的析氢反应（HER）上的8个单和碳化氢电催化剂和相关的电流密度，我们已经通过电子结构计算计算的氢结合能。我们发现这些材料的活性高于它们的母体金属和中间体之间的催化活性的Pt组和早期过渡金属表面。相对于其母体金属，金属碳化物上HER活性的增加可以理解为金属碳化物对相对于金属表面的覆盖诱导的氢吸附减弱的3倍高的敏感性。这些趋势可为碳化钨电催化剂的设计提供参考。
Metal carbide catalysts are alternative nonprecious electrode materials for electrochemical energy conversion devices, such as for H-2 fuel cells or electrolyzers. In this article, we report the experimental exchange current densities for the hydrogen evolution reaction (HER) on eight mono- and bimetallic carbide electrocatalysts and correlate the current densities to hydrogen binding energies that we have calculated via electronic structure computations. We find these materials to have activities higher than those of their parent metals and intermediate between the catalytic activities of the Pt group and early transition-metal surfaces. Increased HER activities on metal carbides relative to their parent metals can be understood with a 3-fold higher sensitivity of metal carbides to the coverage-induced weakening of hydrogen adsorption relative to metal surfaces. The trends presented here can be useful for the design of bimetallic carbide electrocatalysts.