title: Hollandite Structure K(x≈0.25)IrO2 Catalyst with Highly Efficient Oxygen Evolution Reaction.
abstract: Oxygen evolution reaction (OER) catalysts with high activity are of particular importance for renewable energy production and storage. Here, we prepare Kx≈0.25IrO2 catalyst that exhibits an excellent OER activity compared to IrO2, which is univerally acknoweledged as a state-of-the-art OER catalyst. The prepared catalyst reflects a small overpotential 0.35 V at a current density of 10 mA cm(-2) and a lower Tafel slope (65 mV dec(-1)) compared to that for IrO2 (74 mV dec(-1)). The performed X-ray photoelectron spectroscopy (XPS) and X-ray adsorption (XAS) experiments indicate that the Ir-site of Kx≈0.25IrO2 has a lower valence and more Ir-5d occupied states, suggesting more electrons on the Ir site. The extra electrons located on the Ir site and distorted IrO6 octahedral symmetry have a significant effect on the 5d orbital energy distribution which is verified by our DOS calculation. The performed DFT calculations state that the Kx≈0.25IrO2 essentially obtains good OER performance because it has a lower theoretical overpotential (0.50 V) compared to IrO2 (0.61 V).
authors.affiliation: State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Processes, School of Resources and Environmental Engineering and ‡Key Laboratory for Advanced Materials, Center for Computational Chemistry and Research Institute of Industrial Catalysis, East China University of Science and Technology , 130 Meilong Road, Shanghai 200237, P.R. China.
authors.forename: Wei
authors.initials: W
authors.lastname: Sun
authors.affiliation: State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Processes, School of Resources and Environmental Engineering and ‡Key Laboratory for Advanced Materials, Center for Computational Chemistry and Research Institute of Industrial Catalysis, East China University of Science and Technology , 130 Meilong Road, Shanghai 200237, P.R. China.
authors.forename: Ya
authors.initials: Y
authors.lastname: Song
authors.affiliation: State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Processes, School of Resources and Environmental Engineering and ‡Key Laboratory for Advanced Materials, Center for Computational Chemistry and Research Institute of Industrial Catalysis, East China University of Science and Technology , 130 Meilong Road, Shanghai 200237, P.R. China.
authors.forename: Xue-Qing
authors.initials: XQ
authors.lastname: Gong
authors.affiliation: State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Processes, School of Resources and Environmental Engineering and ‡Key Laboratory for Advanced Materials, Center for Computational Chemistry and Research Institute of Industrial Catalysis, East China University of Science and Technology , 130 Meilong Road, Shanghai 200237, P.R. China.
authors.forename: Li-mei
authors.initials: LM
authors.lastname: Cao
authors.affiliation: State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Processes, School of Resources and Environmental Engineering and ‡Key Laboratory for Advanced Materials, Center for Computational Chemistry and Research Institute of Industrial Catalysis, East China University of Science and Technology , 130 Meilong Road, Shanghai 200237, P.R. China.
authors.forename: Ji
authors.initials: J
authors.lastname: Yang
keywords: DFT; OER; electronic structure; hollandite iridate; hydrothermal