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Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments

Noh, Juhwan and Kim, Sungwon and Gu, Geun ho and Shinde, Aniketa and Zhou, Lan and Gregoire, John M. and Jung, Yousung (2019) Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments. Chemical Communications, 55 (89). pp. 13418-13421. ISSN 1359-7345. https://resolver.caltech.edu/CaltechAUTHORS:20191023-085621884

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Abstract

With the increasing energy demand, developing renewable fuel production strategies such as photoelectrocatalytic hydrogen production is critical to mitigating the global climate change. In this work, we experimentally validate a new stable and photoactive material, Mg₂MnO₄, from the exhaustive theoretical exploration of the chemical space of X (=Mg and Ca), Mn and O.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1039/c9cc06736aDOIArticle
http://www.rsc.org/suppdata/c9/cc/c9cc06736a/c9cc06736a1.pdfPublisherSupplementary Information
ORCID:
AuthorORCID
Noh, Juhwan0000-0003-1183-9955
Shinde, Aniketa0000-0003-2386-3848
Zhou, Lan0000-0002-7052-266X
Gregoire, John M.0000-0002-2863-5265
Jung, Yousung0000-0003-2615-8394
Additional Information:© 2019 The Royal Society of Chemistry. The article was received on 30 Aug 2019, accepted on 14 Oct 2019 and first published on 14 Oct 2019. The theoretical screening work was supported by the Korea Institute of Energy Technology Evaluation and Planning (KETEP-20188500000440) and National Research Foundation of Korea (NRF-2019M3E6A106470), and the experimental work was supported by the U.S. Department of Energy (DOE) under Award Number DE-SC0004993. We acknowledge the generous supercomputing time from KISTI. There are no conflicts to declare.
Group:JCAP
Funders:
Funding AgencyGrant Number
Korea Institute of Energy Technology Evaluation and PlanningKETEP-20188500000440
National Research Foundation of KoreaNRF-2019M3E6A106470
Department of Energy (DOE)DE-SC0004993
Issue or Number:89
Record Number:CaltechAUTHORS:20191023-085621884
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20191023-085621884
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:99403
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:23 Oct 2019 16:43
Last Modified:05 Nov 2019 17:37

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