Formation of Cu3BiS3 thin films via sulfurization of Bi-Cu metal precursors

Thin films of Cu 3BiS 3 have been produced by conversion of stacked and co-electroplated Bi-Cu metal precursors in the presence of elemental sulfur vapor. The roles of sulfurization temperature and heating rate in achieving single-phase good quality layers have been explored. The potential loss of Bi during the treatments has been investigated, and no appreciable compositional difference was found between films sulfurized at 550°C for up to 16 h. The structural, morphological and photoelectrochemical properties of the layers were investigated in order to evaluate the potentials of the compound for application in thin film photovoltaics. © 2012 Elsevier B.V. All rights reserved

Structural and electronic properties of CuSbS2 and CuBiS2: potential absorber materials for thin-film solar cells

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)