Tunable e(g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction*.
Tunable e(g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction*.
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DOI：
10.1002/anie.202013610
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发表时间：
2021-03-08
期刊：
影响因子：
--
通讯作者：
Tüysüz H
中科院分区：
文献类型：
--
作者：
Yu M;Li G;Fu C;Liu E;Manna K;Budiyanto E;Yang Q;Felser C;Tüysüz H
Heusler化合物由于其机械强度、金属导电性以及电子结构和元素组成的宽调谐性而在电催化方面具有潜力。这项研究报告了Co2 YZ‐型Heusler化合物作为析氧反应（OER）电催化剂的首次应用。通过电弧熔融法合成了一系列Co2 YZ晶体，并通过改变化合物的Y和Z位置精确地调节Co的e g轨道填充。发现Co2MnZ化合物（Z=Ti，Al，V和Ga）的活性Co位的e g轨道填充与OER活性之间存在相关性，从而实现了e g轨道填充接近1的较高催化电流.对于其他Heusler化合物（Co2VZ，Z=Sn和Ga），也观察到了类似的e g轨道填充对钴位反应性的影响.这项工作证明了Heusler化合物作为一类新的OER电催化剂的应用中的概念，以及自旋轨道的操纵对其催化性能的影响。Heusler化合物（Co2 YZ）作为一类新型的析氧电催化剂，具有机械稳定性、金属导电性、电子结构和元素组成的宽调谐性等特点。通过改变Co2 YZ化合物的Y和Z位点，精确地调节了活性Co位点的e g轨道填充，其中e g轨道填充接近1时实现了更高的催化电流.
Heusler compounds have potential in electrocatalysis because of their mechanical robustness, metallic conductivity, and wide tunability in the electronic structure and element compositions. This study reports the first application of Co2 YZ‐type Heusler compounds as electrocatalysts for the oxygen evolution reaction (OER). A range of Co2 YZ crystals was synthesized through the arc‐melting method and the e g orbital filling of Co was precisely regulated by varying Y and Z sites of the compound. A correlation between the e g orbital filling of reactive Co sites and OER activity was found for Co2MnZ compounds (Z=Ti, Al, V, and Ga), whereby higher catalytic current was achieved for e g orbital filling approaching unity. A similar trend of e g orbital filling on the reactivity of cobalt sites was also observed for other Heusler compounds (Co2VZ, Z=Sn and Ga). This work demonstrates proof of concept in the application of Heusler compounds as a new class of OER electrocatalysts, and the influence of the manipulation of the spin orbitals on their catalytic performance. Heusler compounds (Co2 YZ) with mechanical robustness, metallic conductivity, and wide tunability in the electronic structure and element compositions, are studied as a new class of oxygen evolution electrocatalysts. The e g orbital filling of active Co sites was precisely regulated by varying the Y and Z sites of the Co2 YZ compounds, where the higher catalytic current was achieved for e g orbital filling approaching unity.
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22
作者：
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