Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/106403
Title: An essential descriptor for the oxygen evolution reaction on reducible metal oxide surfaces
Authors: Tian, Hao
Huang, Xiang
Wang, Jiong
Tao, Hua Bing
Xu, Hu
Keywords: Oxygen Evolution Reaction
Engineering::Chemical engineering
Metal Oxide
Issue Date: 2019
Source: Huang, X., Wang, J., Tao, H. B., Tian, H., & Xu, H. (2019). An essential descriptor for the oxygen evolution reaction on reducible metal oxide surfaces. Chemical Science, 10(11), 3340-3345. doi:10.1039/C8SC04521F
Series/Report no.: Chemical Science
Abstract: The development of a universal activity descriptor like the d-band model for transition metal catalysts is of great importance to catalyst design. However, due to the complicated electronic structures of metal oxides, the correlation of the binding energies of reaction intermediates (*OH, *O, and *OOH) in the oxygen evolution reaction (OER) with experimentally controllable properties of metal oxides has not been well established. Here we demonstrate that excess electrons are the essential factor that governs the binding properties of intermediates on the surfaces of reducible metal oxides. We propose that the number of excess electrons (NEE) is an essential activity descriptor toward the OER activities of these oxides, which perfectly reproduces the volcano curve plotted using the descriptor ΔGO − ΔGOH, so that tuning NEE can effectively tailor the OER activities of reducible metal oxide based catalysts. Guided by this descriptor, we predict a novel non-precious catalyst with an overpotential of 0.54 eV, which could be a potential alternative to current Ru or Ir based catalysts.
URI: https://hdl.handle.net/10356/106403
http://hdl.handle.net/10220/49633
ISSN: 2041-6520
DOI: 10.1039/C8SC04521F
Rights: © 2019 The Author(s) (published by Royal Society of Chemistry). This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SCBE Journal Articles

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