Theoretical modelling and device structure engineering of kesterite solar cells to boost the conversion efficiency over 20%.

[Display omitted] • A novel kesterite solar cell was designed and analyzed by SCAPS 1D. • Replacement of Mo by ITO reduces the Schottky barrier height. • Back surface field enhances minority carrier life time and diffusion length. • Alternative buffer produces an offset of 0 eV at buffer/absorber interface. • A systematic optimization of cell design boosted the efficiency up to 20%. Among the several obstacles which impede efficiency enhancement of CZTS solar cells, the sub-optimized Mo back contact and the unfavorable conduction band offset at CZTS/CdS interface are the critical ones, contributing largely to high surface recombination and low open circuit voltage. In this article, a numerical simulation model was used for device structure analysis and performance optimization. A substrate configuration of CZTS solar cell was considered. Benchmarking study of the reference cell gives a conversion efficiency of 8.3% which matches well with the reported experimental value, validating the accuracy of our simulation model. Thereafter, we have implemented several modifications in the experimental device structure including an alternative back contact, a back surface passivation layer, a Cd-free buffer layer with tunable conduction band minimum, and a wide band gap ZnO-based alloy material which enhances the spectral response to shorter wavelength contributing to higher efficiency. A systematic optimization of device structure results in the increase of J SC and V OC due to the increment in diffusion length and optimal free carrier collection which ultimately increases the power efficiency from 8.4 to 20.6%. [ABSTRACT FROM AUTHOR]