Photovoltaic applications of Cu(Sb,Bi)SM (MÂ =Â Ag, Pb, Pt)

Ternary Cu-(Sb,Bi)-S compounds are great absorbents of the solar radiation with a variety of applications including optoelectronic and photovoltaic applications. The analyses of several quaternary semiconductors derived from Cu-(Sb,Bi)-S materials is carried out using first-principles density-functional theory with orbital-dependent one-electron potentials. These analyses focus on the optoelectronic properties and the potential for solar cells. The optical properties are obtained from first-principles calculations, and split into inter- and intra-shell-species contributions in order to quantify the optical transitions responsible for the absorption. The absorption coefficients are then used as criteria to evaluate the efficiencies of these materials under several sunlight concentrations. The results indicate high energy photovoltaic conversion efficiency because of the large intra shell s-p absorption of the S and Sb or Bi atomic species.