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Functional mapping reveals mechanistic clusters for OER catalysis across (Cu–Mn–Ta–Co–Sn–Fe)O_x composition and pH space

Stein, Helge S. and Guevarra, Dan and Shinde, Aniketa and Jones, Ryan J. R. and Gregoire, John M. and Haber, Joel A. (2019) Functional mapping reveals mechanistic clusters for OER catalysis across (Cu–Mn–Ta–Co–Sn–Fe)O_x composition and pH space. Materials Horizons, 6 (6). pp. 1251-1258. ISSN 2051-6347. doi:10.1039/c8mh01641k.

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Identification of stable electrocatalysts for the oxygen evolution reaction (OER) remains a primary challenge in materials for energy. pH-Dependent activity is known for very few catalysts, prompting our exploration of a broad range of catalysts using high throughput experiments and data science. This approach enables the largest screening of OER activity and operational stability to date, as illustrated through investigation of the (Cu–Mn–Ta–Co–Sn–Fe)O_x composition space as 15 unique quaternary composition spaces. In total 2121 compositions are tested between pH 3 and 13, creating an extensive dataset whose interpretation requires development and application of data science to provide insights that are both beyond the standard composition–activity relationships and beyond human interpretation due to the dimensionality of the dataset. Three distinct classes of OER catalysts are identified with respect to pH-dependent activity and stability. The large-scale screening reveals a new class of Co-rich OER catalysts that can be compositionally tailored to a specified pH and perform on par with state-of-the-art acid OER catalysts.

Item Type:Article
Related URLs:
URLURL TypeDescription Information
Stein, Helge S.0000-0002-3461-0232
Guevarra, Dan0000-0002-9592-3195
Shinde, Aniketa0000-0003-2386-3848
Jones, Ryan J. R.0000-0002-4629-3115
Gregoire, John M.0000-0002-2863-5265
Haber, Joel A.0000-0001-7847-5506
Alternate Title:Functional mapping reveals mechanistic clusters for OER catalysis across (Cu–Mn–Ta–Co–Sn–Fe)Ox composition and pH space
Additional Information:© 2019 The Royal Society of Chemistry. The article was received on 21 Dec 2018, accepted on 27 Mar 2019 and first published on 27 Mar 2019. This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC0004993. We thank K. Kan for collecting XRF data. Conflicts of interest: There are no conflicts to declare.
Funding AgencyGrant Number
Department of Energy (DOE)DE-SC0004993
Issue or Number:6
Record Number:CaltechAUTHORS:20190403-094432903
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:94396
Deposited By: Tony Diaz
Deposited On:03 Apr 2019 18:14
Last Modified:16 Nov 2021 17:04

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