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
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Summary: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.
ISSN:2398-4902
2398-4902
DOI:10.1039/C7SE00277G