The thermoelectric behavior of antimony trisulphide (Sb2S3) thin film was investigated based on band structure analysis, figure of merit calculation, and Boltzmann transport properties using ab initio thermodynamics simulations on MATLAB software. The results indicates that Sb2S3 exhibits thermoelectric performance at temperatures ≥ 600K, which strongly suggests that under appropriate doping conditions, thin films of antimony trisulphide can be utilised in exhaust waste heat recovery applications. The calculated values for the optical constants (energy bandgap) is within the range reported by other experimental research groups, and also consistent with recent calculations using similar approaches on density function theory.
Keywords:
Figure of merit, Thermoelectric effect, Thermopower, Transport properties
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