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首页> 外文期刊>Advanced energy materials >Identifying Catalytic Active Sites of Trimolybdenum Phosphide (Mo_3P) for Electrochemical Hydrogen Evolution
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Identifying Catalytic Active Sites of Trimolybdenum Phosphide (Mo_3P) for Electrochemical Hydrogen Evolution

机译：鉴定电化学氢进化的三元化磷化磷脂（MO_3P）的催化活性位点

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摘要

Solid-state electrocatalysis plays a crucial role in the development of renewable energy to reshape current and future energy needs. However, finding an inexpensive and highly active catalyst to replace precious metals remains a big challenge for this technology. Here, tri-molybdenum phosphide (Mo3P) is found as a promising nonprecious metal and earth-abundant candidate with outstanding catalytic properties that can be used for electrocatalytic processes. The catalytic performance of Mo3P nanoparticles is tested in the hydrogen evolution reaction (HER). The results indicate an onset potential of as low as 21 mV, H-2 formation rate, and exchange current density of 214.7 mu mol s(-1) g(cat)(-1) (at only 100 mV overpotential) and 279.07 mu A cm(-2), respectively, which are among the closest values yet observed to platinum. Combined atomic-scale characterizations and computational studies confirm that high density of molybdenum (Mo) active sites at the surface with superior intrinsic electronic properties are mainly responsible for the remarkable HER performance. The density functional theory calculation results also confirm that the exceptional performance of Mo3P is due to neutral Gibbs free energy (Delta G(H*)) of the hydrogen (H) adsorption at above 1/2 monolayer (ML) coverage of the (110) surface, exceeding the performance of existing non-noble metal catalysts for HER.
机译：固态电催化在可再生能源的发展中起着至关重要的作用，以重塑当前和未来的能源需求。然而，寻找廉价且高活性的催化剂来取代贵金属仍然是这项技术的重要挑战。此处，具有三钼磷（MO3P）作为具有可用于电催化过程的优异催化性能的有前景的非普烈金属和地球 - 丰富的候选物。 Mo3P纳米颗粒的催化性能在氢进化反应（她）中测试。结果表明，21mV，H-2形成速率低至214.7μmols（-1）克（猫）（ - 1）（仅100 mV过稳态）和279.07亩的交换电流的起始电位。分别是一个cm（-2），其是最接近的值观察到铂金。组合的原子尺表征和计算研究证实，具有优异的内在电子特性的表面上的钼（MO）活性位点的高密度主要负责她的性能显着。密度函数理论计算结果还证实Mo3P的卓越性能是由于氢气（H）吸附在1/2单层（ml）覆盖范围内的中性Gibbs自由能（Delta g（H *））（110 ）表面，超过了她的现有非贵金属催化剂的性能。

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