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

Suzanne K. Wallace, Katrine L. Svane, William P. Huhn, Tong Zhu, David B. Mitzi, Volker Blum, Aron Walsh

Research output: Contribution to journalArticle

Abstract

To build on the success of other mineral systems employed in solar cells, including kesterites (Cu2ZnSnS4) and herzenbergite (SnS), as well as mineral-inspired systems such as lead halide perovskites (CH3NH3PbI3), 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 (Cu3AsS4), stephanite (Ag5SbS4), and bournonite (CuPbSbS3) as candidate materials and explore their chemical bonding and physical properties using a first-principles quantum mechanical approach.
Original languageEnglish
Pages (from-to)1339-1350
JournalSustainable Energy & Fuels
Volume1
Issue number6
DOIs
Publication statusPublished - 28 Jun 2017

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absorbers (materials)
solar cells
minerals
thin films
perovskites
semiconductor devices
halides
physical properties
life (durability)
crystal structure
electric fields
polarization
electrons

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Candidate photoferroic absorber materials for thin-film solar cells from naturally occurring minerals: enargite, stephanite, and bournonite. / Wallace, Suzanne K.; Svane, Katrine L.; Huhn, William P.; Zhu, Tong; Mitzi, David B.; Blum, Volker; Walsh, Aron.

In: Sustainable Energy & Fuels, Vol. 1, No. 6, 28.06.2017, p. 1339-1350.

Research output: Contribution to journalArticle

Wallace, Suzanne K. ; Svane, Katrine L. ; Huhn, William P. ; Zhu, Tong ; Mitzi, David B. ; Blum, Volker ; Walsh, Aron. / Candidate photoferroic absorber materials for thin-film solar cells from naturally occurring minerals: enargite, stephanite, and bournonite. In: Sustainable Energy & Fuels. 2017 ; Vol. 1, No. 6. pp. 1339-1350.
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