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Tunable eg orbital occupancy in Heusler compounds for oxygen evolution reaction.pdf (412.7 kB)

Tunable Eg Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction

submitted on 09.10.2020, 14:03 and posted on 12.10.2020, 12:31 by Mingquan Yu, Guowei Li, Chenguang Fu, Enke Liu, Kaustuv Manna, Eko Budiyanto, Claudia Felser, Harun Tüysüz
Heusler compounds have great potential in electrocatalysis due to their mechanical robustness, metallic conductivity, and wide tunability in the electronic structure and element compositions. This study reports the first application of Co2YZ type Heusler compounds as electrocatalysts towards oxygen evolution reaction (OER). A range of Co2YZ crystals was synthesized through the arc-melting method and the eg orbital filling of Co was precisely regulated by varying Y and Z sites of the compound. A strong correlation between the eg orbital filling of reactive Co sites and OER activity was found on Co2MnZ compounds (Z = Ti, Al, V, and Ga) whereby higher catalytic current was achieved with eg orbital filling approaching to unity. A similar trend of eg orbital filling on the reactivity of cobalt sites was also observed for other set of Heusler compounds (Co2VZ, Z = Sn and Ga). This work demonstrates proof of concept of application of Heusler compounds as a new class of OER electrocatalyst and the influence of the manipulation of the spin orbitals on their catalytic performances.


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Max Planck Institute for Chemical Physics of Solids



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in Angewandte Chemie International Edition