Cargando…

Tunable e (g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction

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 Co(2) YZ‐type Heusler compounds as electrocatalysts for the oxygen...

Descripción completa

Detalles Bibliográficos
Autores principales: Yu, Mingquan, Li, Guowei, Fu, Chenguang, Liu, Enke, Manna, Kaustuv, Budiyanto, Eko, Yang, Qun, Felser, Claudia, Tüysüz, Harun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7986729/
https://www.ncbi.nlm.nih.gov/pubmed/33300643
http://dx.doi.org/10.1002/anie.202013610
_version_ 1783668500584202240
author Yu, Mingquan
Li, Guowei
Fu, Chenguang
Liu, Enke
Manna, Kaustuv
Budiyanto, Eko
Yang, Qun
Felser, Claudia
Tüysüz, Harun
author_facet Yu, Mingquan
Li, Guowei
Fu, Chenguang
Liu, Enke
Manna, Kaustuv
Budiyanto, Eko
Yang, Qun
Felser, Claudia
Tüysüz, Harun
author_sort Yu, Mingquan
collection PubMed
description 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 Co(2) YZ‐type Heusler compounds as electrocatalysts for the oxygen evolution reaction (OER). A range of Co(2) 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 Co(2)MnZ 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 (Co(2)VZ, 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.
format Online
Article
Text
id pubmed-7986729
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher John Wiley and Sons Inc.
record_format MEDLINE/PubMed
spelling pubmed-79867292021-03-25 Tunable e (g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction Yu, Mingquan Li, Guowei Fu, Chenguang Liu, Enke Manna, Kaustuv Budiyanto, Eko Yang, Qun Felser, Claudia Tüysüz, Harun Angew Chem Int Ed Engl Communications 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 Co(2) YZ‐type Heusler compounds as electrocatalysts for the oxygen evolution reaction (OER). A range of Co(2) 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 Co(2)MnZ 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 (Co(2)VZ, 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. John Wiley and Sons Inc. 2021-02-03 2021-03-08 /pmc/articles/PMC7986729/ /pubmed/33300643 http://dx.doi.org/10.1002/anie.202013610 Text en © 2020 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Communications
Yu, Mingquan
Li, Guowei
Fu, Chenguang
Liu, Enke
Manna, Kaustuv
Budiyanto, Eko
Yang, Qun
Felser, Claudia
Tüysüz, Harun
Tunable e (g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction
title Tunable e (g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction
title_full Tunable e (g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction
title_fullStr Tunable e (g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction
title_full_unstemmed Tunable e (g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction
title_short Tunable e (g) Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction
title_sort tunable e (g) orbital occupancy in heusler compounds for oxygen evolution reaction
topic Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7986729/
https://www.ncbi.nlm.nih.gov/pubmed/33300643
http://dx.doi.org/10.1002/anie.202013610
work_keys_str_mv AT yumingquan tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction
AT liguowei tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction
AT fuchenguang tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction
AT liuenke tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction
AT mannakaustuv tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction
AT budiyantoeko tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction
AT yangqun tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction
AT felserclaudia tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction
AT tuysuzharun tunableegorbitaloccupancyinheuslercompoundsforoxygenevolutionreaction