Abstract Cu2BaSn(S,Se)4 (CBTSSe) solar cells are emerging photovoltaic devices due to their high theoretical efficiencies of ~31%, environment-friendly and earth-abundant composition, low density of non-recombination defects, and so on. However, the record efficiency of CBTSSe solar cell is only 5.2%, showing the importance of studying their performance via numerical analysis to further enhance their practical efficiencies. In this paper, the effect of absorber and buffer layers on performances of Cu2BaSnS4 (CBTS) solar cells are firstly systematically studied via the SCAPS-1D software to provide a platform for the study of the effect of MoS2 interlayer on the performances of CBTS solar cells. The highest PCE of CBTS solar cell with a 30 nm CdS buffer layer is 11.87%. The PCE of CBTS solar cell with a 0.8 μm CBTS absorb layer is 12.51%, indicating that the CBTS solar cell is a potential low-cost solar cell due to its large optical absorption coefficient (α > 104 cm−1). The efficiency of CBTS solar cell is improved to 16.47% when the carrier concentration of CBTS is 1016 cm−3. The relationship between the performance of solar cell and the band gap, thickness, donor concentration, acceptor concentration of MoS2 interlayer is systematically investigated on the basis of the optimized efficiency. It is found that MoS2 interlayer plays an important role in the performance of CBTS solar cell. The p-type MoS2 has a beneficial effect on the efficiency improvement while the n-type MoS2 has a negative effect on the efficiency enhancement. The highest PCE of CBTS solar cell is as high as 18.28% when the thickness and the acceptor concentration of MoS2 are 4 nm and 1019 cm−3, respectively. Our simulation result provides a promising research direction to further improve the actual efficiency of the CBTS solar cell.