- Article
The open-circuit voltage (VOC) deficit that limits polycrystalline CdTe and CdSeTe thin-film solar cells is now understood to originate primarily at the back-contact, where non-radiative recombination limits performance below its theoretical entitlement. Two-dimensional (2D) van der Waals (vdW) transition metal dichalcogenides (TMDCs) passivate the back-contact interface in high-efficiency CIGS devices via in situ 2D-MoSe2 formation, yet this strategy has not been systematically extended to CdTe. In this study, we close this gap with an integrated numerical framework establishing 2D-TMDC hole transport layers (HTLs) as back-surface passivation for CdTe thin-film photovoltaics. Aberration-corrected scanning transmission electron microscopy (STEM) directly confirmed a highly crystalline 2D-MoSe2 interfacial layer (~80 nm) at the CIGS/Mo back-contact interface, providing direct structural confirmation that a vdW interlayer forms as a coherent passivating phase. Device simulations using the solar cell capacitance simulator (SCAPS-1D) demonstrated that the 2D-MoSe2 layer acts as an effective p/p+ interface junction, creating a carrier-selective back-passivation layer resulting in improved carrier collection. To replicate the established 2D-MoSe2 passivation mechanism in CIGS, we simulated 2D-MoTe2 as a passivating HTL for CdTe solar cells, resulting in an estimated VOC of 1.01 V and power conversion efficiency (PCE) of 30.19% without interfacial defects. The low bandgap of 2D-MoTe2 (0.8–1.1 eV) enables near-infrared photon harvesting, boosting the short-circuit current density (JSC) to 36.12 mA·cm−2. Also, 2D-MoTe2 passivation enables thinner CdTe absorbers, with 1.5 μm showing a comparable PCE of 30.11% to 2.5 μm absorbers at 30.19%. These results establish 2D-TMDCs as a promising material to suppress interface recombination and enable high-efficiency CdTe and CdSeTe photovoltaic devices.
14 November 2026










