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The Role of Phosphate Group in Doped Cobalt Molybdate: Improved Electrocatalytic Hydrogen Evolution Performance

Zhao, S; Berry-Gair, J; Li, W; Guan, G; Yang, M; Li, J; Lai, F; ... Parkin, IP; + view all (2020) The Role of Phosphate Group in Doped Cobalt Molybdate: Improved Electrocatalytic Hydrogen Evolution Performance. Advanced Science , 7 (12) , Article 1903674. 10.1002/advs.201903674. Green open access

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Abstract

The hydrogen evolution reaction (HER) is a critical process in the electrolysis of water. Recently, much effort has been dedicated to developing low‐cost, highly efficient, and stable electrocatalysts. Transition metal phosphides are investigated intensively due to their high electronic conductivity and optimized absorption energy of intermediates in acid electrolytes. However, the low stability of metal phosphide materials in air and during electrocatalytic processes causes a decay of performance and hinders the discovery of specific active sites. The HER in alkaline media is more intricate, which requires further delicate design due to the Volmer steps. In this work, phosphorus‐modified monoclinic β‐CoMoO_{4} is developed as a low‐cost, efficient, and stable HER electrocatalyst for the electrolysis of water in alkaline media. The optimized catalyst shows a small overpotential of 94 mV to reach a current density of 10 mA cm^{-2} for the HER with high stability in KOH electrolyte, and an overpotential of 197 mV to reach a current density of 100 mA cm^{−2}. Combined computational and in situ spectroscopic techniques show P is present as a surface phosphate ion; that electron holes localize on the surface ions and both (P-O^{-1}) and Co^{3+}-OH^{-} are prospective surface active sites for the HER.

Type: Article
Title: The Role of Phosphate Group in Doped Cobalt Molybdate: Improved Electrocatalytic Hydrogen Evolution Performance
Open access status: An open access version is available from UCL Discovery
DOI: 10.1002/advs.201903674
Publisher version: https://doi.org/10.1002/advs.201903674
Language: English
Additional information: © 2020 The Authors. Published by WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim. This is an open access article under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/).
Keywords: density functional theory, electrocatalysts, hydrogen evolution, in situ ATR-IR
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10097051
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