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High-valent states in cobalt and nickel oxygen-evolving catalysts and their role in O—O bond formation

Hadt, Ryan G. (2017) High-valent states in cobalt and nickel oxygen-evolving catalysts and their role in O—O bond formation. Acta Crystallographica. Section A, Foundations of Crystallography, 73 (a1). Art. No. a152. ISSN 0108-7673.

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The solar-to-fuels conversion is a promising alternative to traditional energy sources such as fossil fuels, and the overall efficiency relies heavily on catalysts of the oxygen evolution half-reaction (i.e., 2H_2O → O_2 + 4H^+ + 4e^–). This four-electron, four-proton coupled reaction ultimately provides the reducing equivalents for solar fuels synthesis. Earth-abundant first-row transition metal oxides of cobalt, nickel, and their mixed-metal forms can drive this half-reaction at relatively low overpotentials. This presentation will discuss recent studies utilizing a combination of in situ and ex situ optical and X-ray spectroscopies, including resonant inelastic X-ray scattering, on oxygen-evolving thin films and their molecular and heterogeneous inorganic analogs. Experiment coupled with density functional theory calculations has provided insights into the electronic structures of the high-valent states involved in the mechanism of O–O bond formation.

Item Type:Article
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Hadt, Ryan G.0000-0001-6026-1358
Additional Information:© 2017 International Union of Crystallography.
Issue or Number:a1
Record Number:CaltechAUTHORS:20180619-090044704
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Official Citation:Hadt, R. G. (2017). Acta Cryst. A73, a152
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:87213
Deposited By: Tony Diaz
Deposited On:19 Jun 2018 16:15
Last Modified:03 Oct 2019 19:53

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