Band alignment of Cd-free (Zn, Mg)O layer with Cu2ZnSn(S,Se)4 and its effect on the photovoltaic properties

Abstract Cu 2 ZnSn(S,Se) 4 (CZTSSe) is an interesting absorber material for thin film solar cells. However, one of the key challenges for the kesterite-based solar cells is to improve the open-circuit voltage (V oc ) deficit, which is resultant of recombination at the interface of buffer/absorber. In this work, Cd-free n -type buffer layers with two different Mg-doped ZnO layers (Mg 0.26 Zn 0.74 O, Mg 0.30 Zn 0.70 O) have been examined using ultraviolet photoelectron spectroscopy. The most important electronic properties which are essential for the band offset study, ie. fermi level location, valence and conduction band offsets at the interface in the CZTSSe substrate, have been determined. The conduction band offset values for Mg 0.26 Zn 0.74 O, Mg 0.30 Zn 0.70 O buffer layers has been calculated experimentally. We have also established the correlation between device parameters and performances for dual ion beam sputtered ZnO buffer/CZTSSe-based heterojunction solar cells as a function of conduction band offset and the energy distribution of interface defects, to gain deeper understanding about the V oc -deficit behavior from a high recombination rate at the buffer/kesterite interface using simulation study. From the simulation study, the values of the solar cell efficiency with Mg 0.26 Zn 0.74 O and Mg 0.30 Zn 0.70 O buffer layers are 10.18 and 10.25%, respectively, which are higher in comparison to those obtained by using conventional CdS buffer layer.