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Tunable eg Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction

MPS-Authors
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Yu,  Mingquan
Research Group Tüysüz, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Li,  Guowei
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Fu,  Chenguang
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Liu,  Enke
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences;

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Manna,  Kaustuv
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;
Department of Physics, Indian Institute of Technology;

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Budiyanto,  Eko
Research Group Tüysüz, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Yang,  Qun
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

Felser,  Claudia
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Tüysüz,  Harun
Research Group Tüysüz, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

Yu, M., Li, G., Fu, C., Liu, E., Manna, K., Budiyanto, E., et al. (2021). Tunable eg Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction. Angewandte Chemie International Edition, 60(11), 5800-5805. doi:10.1002/anie.202013610.


Cite as: http://hdl.handle.net/21.11116/0000-0008-013D-3
Abstract
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 Co2YZ‐type Heusler compounds as electrocatalysts for the 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 correlation between the eg 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 eg orbital filling approaching unity. A similar trend of eg 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.