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Issue 89, 2019
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Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments

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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.

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

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Publication details

The article was received on 30 Aug 2019, accepted on 14 Oct 2019 and first published on 14 Oct 2019


Article type: Communication
DOI: 10.1039/C9CC06736A
Chem. Commun., 2019,55, 13418-13421

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

    J. Noh, S. Kim, G. H. Gu, A. Shinde, L. Zhou, J. M. Gregoire and Y. Jung, Chem. Commun., 2019, 55, 13418
    DOI: 10.1039/C9CC06736A

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