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Published November 18, 2019 | Version Supplemental Material
Journal Article Open

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

Creators

  • 1. ROR icon Korea Advanced Institute of Science and Technology
  • 2. ROR icon Joint Center for Artificial Photosynthesis

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.

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Supplemental Material - c9cc06736a1_si.pdf

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Additional details

Identifiers

Eprint ID
99403
Resolver ID
CaltechAUTHORS:20191023-085621884

Funding

Korea Institute of Energy Technology Evaluation and Planning
KETEP-20188500000440
National Research Foundation of Korea
NRF-2019M3E6A106470
Department of Energy (DOE)
DE-SC0004993

Dates

Created
2019-10-23
Created from EPrint's datestamp field
Updated
2021-11-16
Created from EPrint's last_modified field

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