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dc.contributor.authorWang, Tingen_US
dc.contributor.authorSun, Yuanmiaoen_US
dc.contributor.authorZhou, Yeen_US
dc.contributor.authorSun, Shengnanen_US
dc.contributor.authorHu, Xiaoen_US
dc.contributor.authorDai, Yihuen_US
dc.contributor.authorXi, Shiboen_US
dc.contributor.authorYang, Yanhuien_US
dc.contributor.authorXu, Zhichuan Jasonen_US
dc.identifier.citationWang, T., Sun, Y., Zhou, Y., Sun, S., Hu, X., Dai, Y., Xi, S., Du, Y., Yang, Y. & Xu, Z. J. (2018). Identifying influential parameters of octahedrally coordinated cations in spinel ZnMnₓCo₂–ₓO₄ oxides for the oxidation reaction. ACS Catalysis, 8(9), 8568-8577.
dc.description.abstractTransition metal oxides are potential alternatives to precious metal catalysts for oxidation reactions. Among these earth abundant oxide catalysts, cobalt- or manganese-based spinel oxides have attracted consistent interest because of their superior catalytic performances. It has been found that the octahedral sites in spinels are responsible for their catalytic activities. However, little is known about the parameters of the octahedrally coordinated cations that influence their activity. Herein, a series of ZnMnxCo2-xO4 (x = 0-2.0) spinel oxides are investigated, employing CO oxidation as the model reaction, with particular attention being paid to the variation in activity caused by tuning the ratio of octahedrally occupied Mn to Co. Both Mn and Co contribute to the activity with Mn cations as the primary active species when they coexist; the intrinsic specific activity is found to be dependent on composition, and the highest activity is seen at a Mn/Co molar ratio of 0.11. The presence of Mn4+ and Mn3+ in a proper ratio is another key for achieving high oxidation activity and can be rationalized by the moderate oxygen adsorption during CO oxidation, which facilitates O vacancy refilling. This is also supported by the density function theory calculation, showing that the high activity of ZnMn0.2Co1.8O4 originates from having the O p-band center neither too far from nor too close to the Fermi level. The eg occupancy of Mn cations and the O p-band center relative to the Fermi level, which are the indices of how the electronic structure influences the oxygen addition- and removal-related processes, are proposed to serve as the activity descriptors. This work may provide a different insight into understanding the activity of transition metal spinel oxides for oxidation reactions.en_US
dc.description.sponsorshipMinistry of Education (MOE)en_US
dc.description.sponsorshipNanyang Technological Universityen_US
dc.description.sponsorshipNational Research Foundation (NRF)en_US
dc.relationMOE2017-T2-1- 009en_US
dc.relation.ispartofACS Catalysisen_US
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Catalysis, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
dc.subjectEngineering::Materials::Energy materialsen_US
dc.titleIdentifying influential parameters of octahedrally coordinated cations in spinel ZnMnₓCo₂–ₓO₄ oxides for the oxidation reactionen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science and Engineeringen_US
dc.contributor.schoolInterdisciplinary Graduate School (IGS)en_US
dc.contributor.researchNanyang Environment and Water Research Instituteen_US
dc.contributor.researchSolar Fuels Laboratoryen_US
dc.description.versionAccepted versionen_US
dc.subject.keywordsSpinel Oxideen_US
dc.subject.keywordsCO Oxidationen_US
dc.description.acknowledgementThis work was supported by Singapore Ministry of Education Tier 1 Grant RG3/17(S) and Tier 2 Grant MOE2017-T2-1- 009 and the Singapore National Research Foundation under its Campus for Research Excellence and Technological Enterprise (CREATE) program SinBeRISE. The authors thank the Facility for Analysis, Characterization, Testing and Simulation (FACTS) of Nanyang Technological University for the characterization of materials. This research was also supported by the Environmental Chemistry and Materials Centre (ECMC) under the Nanyang Environment and Water Research Institute (NEWRI) and the Sustainable Earth Division of the Nanyang Technological University’s Interdisciplinary Graduate School (IGS). The Nanjing Tech group also appreciates the financial support from the Jiangsu Provincial Department of Education and Natural Science Foundation (17KJB150021 and BK20170986).en_US
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