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See detailSynthesis, Characterization, and Electronic Structure of Single-Crystal SnS, Sn2S3, and SnS2
Burton, Lee A.; Colombara, Diego UL; Abellon, Ruben D. et al

in Chemistry of Materials (2013), 25(24), 4908-4916

Tin sulfide is being widely investigated as an earth-abundant light harvesting material, but recorded efficiencies for SnS fall far below theoretical limits. We describe the synthesis and characterization ... [more ▼]

Tin sulfide is being widely investigated as an earth-abundant light harvesting material, but recorded efficiencies for SnS fall far below theoretical limits. We describe the synthesis and characterization of the single-crystal tin sulfides (SnS, SnS2, and Sn2S3) through chemical vapor transport, and combine electronic structure calculations with time-resolved microwave conductivity measurements to shed light on the underlying electrical properties of each material. We show that the coexistence of the Sn(II) and Sn(IV) oxidation states would limit the performance of SnS in photovoltaic devices due to the valence band alignment of the respective phases and the ''asymmetry'' in the underlying point defect behavior. Furthermore, our results suggest that Sn2S3, in addition to SnS, is a candidate material for low-cost thin-film solar cells. [less ▲]

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See detailStructural and electronic properties of CuSbS2 and CuBiS2: potential absorber materials for thin-film solar cells
Dufton, Jesse T.R.; Walsh, Aron; Panchmatia, Pooja M. et al

in Physical Chemistry Chemical Physics [=PCCP] (2012), 14(20), 7229-7233

As the demand for photovoltaics rapidly increases, there is a pressing need for the identification of new visible light absorbing materials for thin-film solar cells that offer similar performance to the ... [more ▼]

As the demand for photovoltaics rapidly increases, there is a pressing need for the identification of new visible light absorbing materials for thin-film solar cells that offer similar performance to the current technologies based on CdTe and Cu(In,Ga)Se2. Metal sulphides are the ideal candidate materials, but their band gaps are usually too large to absorb significant fractions of visible light. However, by combining Cu+ (low binding energy d10 band) and Sb3+/Bi3+ (low binding energy s2 band), the ternary sulphides CuSbS2 and CuBiS2 are formed, which have been gathering recent interest for solar cell applications. Using a hybrid density functional theory approach, we calculate the structural and electronic properties of these two materials. Our results highlight the stereochemical activity of the Sb and Bi lone pair electrons, and predict that the formation of hole carriers will occur in the Cu d10 band and hence will involve oxidation of Cu(I). [less ▲]

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