Photovoltaic application of O-doped Wittichenite-Cu 3 BiS 3: From microscopic properties to maximum efficiencies

Abstract

The electronic properties and the low environmental impact of Cu 3 BiS 3 make this compound a promising material for low-cost thin film solar cell technology. From the first principles, the electronic properties of the isoelectronic substitution of S by O in Cu 3 BiS 3 have been obtained using two different exchange-correlation potentials. This compound has an acceptor level below the conduction band, which modifies the opto-electronic properties with respect to the host semiconductor. In order to analyze a possible efficiency increment with respect to the host semiconductor, we have calculated the maximum efficiency of this photovoltaic absorber material. Copyright © 2012 John Wiley & Sons, Ltd. From first principles, the electronic properties of the isoelectronic substitution of S by O in Cu3BiS3 have been obtained. The acceptor energy levels in the gap form a band in the alloying limit. Using the first-principles results, we have estimated the maximum efficiency of this photovoltaic absorber material. Copyright © 2012 John Wiley & Sons, Ltd.