Theoretical insights onto CuTlS2 semiconductor towards efficient solar cell and photosensor

The article recounts the design and modeling of a solar cell (SC) and photodetector (PD) based on copper thallium sulfide (CuTlS2), a direct bandgap chalcopyrite having a bandgap of 1.25 eV. The n-CdS/p-CuTIS2/p+-MoS2 SC and PD where CdS is used as a window layer and MoS2 is used as a back surface field (BSF) layer demonstrate exceptional optical and electronic characteristics by showcasing remarkable performance. Systematic investigation of the SC and PD involves varying the width, carrier density, and defect densities of specific layers, as well as the interface defect density of specific interfaces. The photocurrent (JSC), voltage (VOC), FF and PCE of the heterostructure SC device are determined to be 35.82 mA/cm2, 1.04 V, 87.21 % and 32.37 %, in turn. The crest responsivity (R) and detectivity (D*) of the PD towards light are identified as 0.67 A/W and 9.54×1016 Jones, respectively at a wavelength of 890 nm. The spectral response exhibits notably higher values in the range of 800–1000 nm, indicating the device's proficiency in detecting near-infrared (NIR) light. This research offers valuable insights for the manufacture of solar cells and photodetectors based on CuTlS2 material with enhanced performance. [Display omitted] •CuTlS2 based solar cell and photodetector have been designed and probed.•CuTlS2 solar cell shows a PCE=32.37 % with JSC=35.82 mA/cm2, VOC=1.04 V, FF=87.21 %.•CuTlS2 PD responsivity (R)=0.67 A/W and detectivity (D*)= 9.54×1016 Jones are found.•The results are promising for manufacturing of CuTlS2 solar cell and photodetector.