Singh, JaspreetJakhar, MukeshKumar, Ashok2024-01-212024-08-132024-01-212024-08-132022-02-14957448410.1088/1361-6528/ac54e1http://10.2.3.109/handle/32116/3704Motivated by recent progress in the two-dimensional (2D) materials of group VI elements and their experimental fabrication, we have investigated the stability, optoelectronic and thermal properties of Janus ?-Te2S monolayer using first-principles calculations. The phonon dispersion and MD simulations confirm its dynamical and thermal stability. The moderate band gap ( 1/41.5 eV), ultrahigh carrier mobility ( 1/4103 cm2 V-1 s-1), small exciton binding energy (0.26 eV), broad optical absorption range and charge carrier separation ability due to potential difference ( "V = 1.07 eV) on two surfaces of Janus ?-Te2S monolayer makes it a promising candidate for solar energy conversion. We propose various type-II heterostructures consisting of Janus ?-Te2S and other transition metal dichalcogenides for solar cell applications. The calculated power conversion efficiencies of the proposed heterostructures, i.e. ?-Te2S/T-PdS2, ?-Te2S/BP and ?-Te2S/H-MoS2 are 1/421%, 1/419% and 18%, respectively. Also, the ultralow value of lattice thermal conductivity (1.16 W m-1 K-1) of Janus ?-Te2S makes it a promising material for the fabrication of next-generation thermal energy conversion devices. � 2022 IOP Publishing Ltd.en-USdensity functional theoryheterostructureJanus monolayerlattice thermal conductivitysolar power conversion efficiencytwo dimensional structureArticlehttps://iopscience.iop.org/article/10.1088/1361-6528/ac54e1