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Chem Commun (Camb). 2019 Nov 18;55(89):13418-13421. doi: 10.1039/c9cc06736a. Epub 2019 Oct 22.

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

Author information

1
Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea. ysjn@kaist.ac.kr.
2
Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, CA 91125, USA. gregoire@caltech.edu.

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.

PMID:
31638105
DOI:
10.1039/c9cc06736a

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