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Effects of Transition Metal Dichalcogenide Molybdenum Disulfide Layer Formation in Copper–Zinc–Tin–Sulfur Solar Cells from Numerical Analysis

This study demonstrates the effects of transition metal dichalcogenide, MoS2 layer formation in between the copper–zinc–tin–sulphide (CZTS) absorber layer and Mo back contact from theoretical study and numerical modeling. The objective of this study is to elucidate the effects of n or p type MoS2 on the overall CZTS solar cell performance. Energy band line-up of Mo/MoS2/CZTS interface is analyzed to elucidate the interface properties. It is found out that p-MoS2 layer in CZTS solar cell induces the same adventitious effect as p-MoSe2 in CIGS solar cell. However, n-MoS2 layer has detrimental effect on the CZTS solar cell by creating an additional back contact diode with p-CZTS layer and an ohmic contact with Mo layer. Thickness, bandgap energy and carrier concentration of n-MoS2 all have been varied in the numerical simulation to observe its effects on the cell performance parameters. The results from numerical simulation show that MoS2 layer as thin as 50 nm is sufficient enough to induce adverse effect on the solar cell performance. This could be caused by the increase in series resistance of the solar cell as n-type MoS2 would inhibit hole current into Mo back contact due to the hole barrier between n-type MoS2 and Mo back contact. The increase in MoS2 bandgap and carrier concentration also results in detrimental effect to the performance of the cell mainly due to the possibility of electrons to drift towards the back contact and recombine.