DFT combined to Boltzmann transport theory for optoelectronic and thermoelectric properties investigations for Se (4 & 8 (at.%)) doped Li2SnS3
Muhammad Aamer,
Sikander Azam,
Muhammad Jawad
et al.
Abstract:Cubic Li2SnS3 emerges as a noteworthy ionic conductor and a viable electrode material for lithium secondary batteries. Its application extends to solar cell technologies, owing to its commendable optoelectronic properties and high-power conversion efficiency. In this study, we present density functional theory (DFT)-based first principles calculations for Li2SnS3-xSex (x = 0, 4, and 8% (atomic percent (at.%)) utilizing the modified Becke Johnson (mBJ) approximations, proposing a compelling alternative. Our inv… Show more
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