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dc.contributor.authorZheng, Yao
dc.contributor.authorJiao, Yan
dc.contributor.authorZhu, Yihan
dc.contributor.authorCai, Qiran
dc.contributor.authorVasileff, Anthony
dc.contributor.authorLi, Lu Hua
dc.contributor.authorHan, Yu
dc.contributor.authorChen, Ying
dc.contributor.authorQiao, Shi-Zhang
dc.date.accessioned2017-04-13T11:51:00Z
dc.date.available2017-04-13T11:51:00Z
dc.date.issued2017-02-27
dc.identifier.citationZheng Y, Jiao Y, Zhu Y, Cai Q, Vasileff A, et al. (2017) Molecule-Level g-C3N4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions. Journal of the American Chemical Society 139: 3336–3339. Available: http://dx.doi.org/10.1021/jacs.6b13100.
dc.identifier.issn0002-7863
dc.identifier.issn1520-5126
dc.identifier.doi10.1021/jacs.6b13100
dc.identifier.urihttp://hdl.handle.net/10754/623192
dc.description.abstractOrganometallic complexes with metal-nitrogen/carbon (M-N/C) coordination are the most important alternatives to precious metal catalysts for oxygen reduction and evolution reactions (ORR and OER) in energy conversion devices. Here, we designed and developed a range of molecule-level graphitic carbon nitride (g-C3N4) coordinated transition metals (M-C3N4) as a new generation of M-N/C catalysts for these oxygen electrode reactions. As a proof-of-concept example, we conducted theoretical evaluation and experimental validation on a cobalt-C3N4 catalyst with a desired molecular configuration, which possesses comparable electrocatalytic activity to that of precious metal benchmarks for the ORR and OER in alkaline media. The correlation of experimental and computational results confirms that this high activity originates from the precise M-N2 coordination in the g-C3N4 matrix. Moreover, the reversible ORR/OER activity trend for a wide variety of M-C3N4 complexes has been constructed to provide guidance for the molecular design of this promising class of catalysts.
dc.description.sponsorshipWe acknowledge financial support by the Australian Research Council (DP 170104464, DP160104866, DP140104062, and DE160101163). NEXAFS and EXAFS were performed at Australian Synchrotron. DFT calculations were carried out using the NCI National Facility systems.
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/jacs.6b13100
dc.titleMolecule-Level g-C3N4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions
dc.typeArticle
dc.contributor.departmentAdvanced Membranes and Porous Materials Research Center
dc.contributor.departmentChemical Science Program
dc.contributor.departmentNanostructured Functional Materials (NFM) laboratory
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalJournal of the American Chemical Society
dc.contributor.institutionSchool of Chemical Engineering, University of Adelaide , Adelaide, SA 5005, Australia.
dc.contributor.institutionInstitute for Frontier Materials, Deakin University , Waurn Ponds, VIC 3216, Australia.
kaust.personZhu, Yihan
kaust.personHan, Yu
dc.date.published-online2017-02-27
dc.date.published-print2017-03-08


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