Candidate photoferroic absorber materials for thin-film solar cells from naturally occurring minerals: enargite, stephanite, and bournonite

To build on the success of other mineral systems employed in solar cells, including kesterites (Cu 2 ZnSnS 4 ) and herzenbergite (SnS), as well as mineral-inspired systems such as lead halide perovskites (CH 3 NH 3 PbI 3 ), we have searched for photoactive minerals with the additional constraint tha...

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Published inSustainable energy & fuels Vol. 1; no. 6; pp. 1339 - 1350
Main Authors Wallace, Suzanne K., Svane, Katrine L., Huhn, William P., Zhu, Tong, Mitzi, David B., Blum, Volker, Walsh, Aron
Format Journal Article
LanguageEnglish
Published 01.08.2017
Online AccessGet full text
ISSN2398-4902
2398-4902
DOI10.1039/C7SE00277G

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Abstract To build on the success of other mineral systems employed in solar cells, including kesterites (Cu 2 ZnSnS 4 ) and herzenbergite (SnS), as well as mineral-inspired systems such as lead halide perovskites (CH 3 NH 3 PbI 3 ), we have searched for photoactive minerals with the additional constraint that a polar crystal structure is adopted. Macroscopic electric fields provide a driving force to separate electrons and holes in semiconductor devices, while spontaneous lattice polarisation in polar semiconductors can facilitate microscopic photo-carrier separation to enhance carrier stability and lifetimes. We identify enargite (Cu 3 AsS 4 ), stephanite (Ag 5 SbS 4 ), and bournonite (CuPbSbS 3 ) as candidate materials and explore their chemical bonding and physical properties using a first-principles quantum mechanical approach.
AbstractList To build on the success of other mineral systems employed in solar cells, including kesterites (Cu 2 ZnSnS 4 ) and herzenbergite (SnS), as well as mineral-inspired systems such as lead halide perovskites (CH 3 NH 3 PbI 3 ), we have searched for photoactive minerals with the additional constraint that a polar crystal structure is adopted. Macroscopic electric fields provide a driving force to separate electrons and holes in semiconductor devices, while spontaneous lattice polarisation in polar semiconductors can facilitate microscopic photo-carrier separation to enhance carrier stability and lifetimes. We identify enargite (Cu 3 AsS 4 ), stephanite (Ag 5 SbS 4 ), and bournonite (CuPbSbS 3 ) as candidate materials and explore their chemical bonding and physical properties using a first-principles quantum mechanical approach.
Author Huhn, William P.
Svane, Katrine L.
Mitzi, David B.
Wallace, Suzanne K.
Walsh, Aron
Zhu, Tong
Blum, Volker
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  surname: Walsh
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  organization: Department of Materials, Imperial College London, London SW7 2AZ, UK, Global E3 Institute
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Snippet To build on the success of other mineral systems employed in solar cells, including kesterites (Cu 2 ZnSnS 4 ) and herzenbergite (SnS), as well as...
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Title Candidate photoferroic absorber materials for thin-film solar cells from naturally occurring minerals: enargite, stephanite, and bournonite
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