Published November 18, 2019
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Journal Article
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Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments
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.
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.Attached Files
Supplemental Material - c9cc06736a1_si.pdf
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Additional details
- Eprint ID
- 99403
- Resolver ID
- CaltechAUTHORS:20191023-085621884
- KETEP-20188500000440
- Korea Institute of Energy Technology Evaluation and Planning
- NRF-2019M3E6A106470
- National Research Foundation of Korea
- DE-SC0004993
- Department of Energy (DOE)
- Created
-
2019-10-23Created from EPrint's datestamp field
- Updated
-
2021-11-16Created from EPrint's last_modified field
- Caltech groups
- JCAP