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

Author(s): Suzanne K. Wallace ¹ ^, ² ^, ³ ^, ⁴ ^, ⁵ , Katrine L. Svane ¹ ^, ² ^, ³ ^, ⁴ ^, ⁵ , William P. Huhn ⁶ ^, ⁷ ^, ⁸ ^, ⁹ , Tong Zhu ⁶ ^, ⁷ ^, ⁸ ^, ⁹ , David B. Mitzi ⁶ ^, ⁷ ^, ⁸ ^, ⁹ ^, ¹ , Volker Blum ⁶ ^, ⁷ ^, ⁸ ^, ⁹ ^, ¹ , Aron Walsh ¹⁰ ^, ¹¹ ^, ¹² ^, ⁵ ^, ¹³

Publication date (Electronic): 2017

Journal: Sustainable Energy & Fuels

Publisher: Royal Society of Chemistry (RSC)

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Abstract

A search for photoactive ferroelectric minerals reveals three candidates, which are investigated using first-principles materials modelling.

Abstract

To build on the success of other mineral systems employed in solar cells, including kesterites (Cu ₂ZnSnS ₄) and herzenbergite (SnS), as well as mineral-inspired systems such as lead halide perovskites (CH ₃NH ₃PbI 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 ₃AsS ₄), stephanite (Ag ₅SbS ₄), and bournonite (CuPbSbS ₃) as candidate materials and explore their chemical bonding and physical properties using a first-principles quantum mechanical approach.

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Article: not found

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G Kresse, J. Furthmüller (1996)

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Record: found
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Organometallic Halide Perovskites: Sharp Optical Absorption Edge and Its Relation to Photovoltaic Performance.

Stefaan De Wolf, Jakub Holovský, Soo-Jin Moon … (2014)

Solar cells based on organometallic halide perovskite absorber layers are emerging as a high-performance photovoltaic technology. Using highly sensitive photothermal deflection and photocurrent spectroscopy, we measure the absorption spectrum of CH3NH3PbI3 perovskite thin films at room temperature. We find a high absorption coefficient with particularly sharp onset. Below the bandgap, the absorption is exponential over more than four decades with an Urbach energy as small as 15 meV, which suggests a well-ordered microstructure. No deep states are found down to the detection limit of ∼1 cm(-1). These results confirm the excellent electronic properties of perovskite thin films, enabling the very high open-circuit voltages reported for perovskite solar cells. Following intentional moisture ingress, we find that the absorption at photon energies below 2.4 eV is strongly reduced, pointing to a compositional change of the material.