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Function of Doping Ru Element in the Hydrogen Evolution Reaction in Rare-Earth Transition-Metal Intermetallics
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2021-10-19 , DOI: 10.1021/acs.inorgchem.1c02633 Shen-Jing Ji 1 , Dong Zhang 1 , Nian-Tzu Suen 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2021-10-19 , DOI: 10.1021/acs.inorgchem.1c02633 Shen-Jing Ji 1 , Dong Zhang 1 , Nian-Tzu Suen 1
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Transition metal-based intermetallics are promising electrocatalysts for replacing the commercial Pt metal in the hydrogen evolution reaction (HER). In this work, RENi2 and RERu0.25Ni1.75 (RE = Pr, Tb, and Er) were synthesized and their electrocatalytic HER activities were explored. Among undoped compounds, PrNi2 exhibits the best performance and requires an overpotential of 55 mV, while partially replacing Ni with Ru element (PrRu0.25Ni1.75) can greatly reduce the overpotential to 20 mV at a current density of 10 mA/cm2. Such enhancement was recognized that belongs to their extrinsic property, and their intrinsic HER activities were similar after normalizing the electrocatalytic surface area. Further investigation on ScM2 and ScRu0.25M1.75 (M = Co and Ni) suggests that doping Ru element in ScCo2 will significantly enhance antibonding character around the Fermi level (EF) and weaken hydrogen adsorption energy. On the other hand, the antibonding population for ScNi2 and ScRu0.25Ni1.75 is similar at EF, which accounts for their close intrinsic HER activities.
中文翻译：
Ru元素在稀土过渡金属间化合物析氢反应中的作用
基于过渡金属的金属间化合物是有前途的电催化剂，可用于替代析氢反应 (HER) 中的商业 Pt 金属。在这项工作中，合成了 RENi 2和 RERu 0.25 Ni 1.75 (RE = Pr、Tb 和 Er)，并探索了它们的电催化 HER 活性。在未掺杂的化合物中，PrNi 2表现出最好的性能，需要55 mV的过电位，而用Ru元素部分替代Ni（PrRu 0.25 Ni 1.75）可以在10 mA/cm 2的电流密度下将过电位大大降低至20 mV. 这种增强被认为属于它们的外在特性，并且在将电催化表面积归一化后，它们的内在 HER 活性相似。单片机进一步调查2和SCRU 0.25中号1.75（M = Co和Ni）表明在该SCCO掺杂钌元件2将显著增强周围的费米能级（反键字符Ë ˚F）和削弱氢吸附能。在另一方面，对于SCNi上的反键人口2和SCRU 0.25镍1.75是类似Ë ˚F，占他们的亲密内在她的活动。
更新日期：2021-11-01
中文翻译：
Ru元素在稀土过渡金属间化合物析氢反应中的作用
基于过渡金属的金属间化合物是有前途的电催化剂，可用于替代析氢反应 (HER) 中的商业 Pt 金属。在这项工作中，合成了 RENi 2和 RERu 0.25 Ni 1.75 (RE = Pr、Tb 和 Er)，并探索了它们的电催化 HER 活性。在未掺杂的化合物中，PrNi 2表现出最好的性能，需要55 mV的过电位，而用Ru元素部分替代Ni（PrRu 0.25 Ni 1.75）可以在10 mA/cm 2的电流密度下将过电位大大降低至20 mV. 这种增强被认为属于它们的外在特性，并且在将电催化表面积归一化后，它们的内在 HER 活性相似。单片机进一步调查2和SCRU 0.25中号1.75（M = Co和Ni）表明在该SCCO掺杂钌元件2将显著增强周围的费米能级（反键字符Ë ˚F）和削弱氢吸附能。在另一方面，对于SCNi上的反键人口2和SCRU 0.25镍1.75是类似Ë ˚F，占他们的亲密内在她的活动。
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