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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
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submitted on 09.10.2020 and posted on 12.10.2020by 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.