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In the present work, thermal transport and energy conversation in twothermoelectrically efficient candidates of Janus SnSSe and SnS$_2$ areinvestigated within the non-equilibrium Monte Carlo simulation of phononBoltzmann equation. The phonon analysis is performed to determine thecontributed phonons in heat transport. The results present that the dominantparticipating phonons are longitudinal acoustic ones while the least belongs tothe transverse acoustic (TA) mode. Both materials reached the very high maximumtemperature in response to the implied wasted heat. This is attributed to thelow presence of the critical TA phonons. Also, the temperature profile achievedduring the heating and cooling of the materials is studied. It is obtained thatthe heat propagation through the SnS$_2$ is, at first, swifter, which resultsin a temperature gradient through the whole material which is less than that ofthe SnSSe. As the time passes, the heat transfer that is directly related tothe material thermal conductivity, slows down. So, the behavior of the SnS$_2$and SnSSe, in case of the heat propagation status, becomes similar. More, thebehavior of the thermoelectric figure of merit (zT), the efficiency ($\eta$),and the generated voltage have been figured out. It is stated that the higherzT and $\eta$ do not guarantee a larger generated Seebeck voltage. This istrue, while the generated Seebeck voltage is related to the temperaturedifference between the heated and the cold junction. Accordingly, how far thetemperature of matter rises in response to the implied wasted heat is relatedto the obtained voltage. Mainly, it is presented that the maximum temperaturethat a material achieves, alongside the temperature gradient and materialproperty Seebeck coefficient, are essential in introducing thermoelectricallyefficient materials with reasonable thermal to electrical energy conversion.

Energy conversion in thermoelectric materials of SnSSe and SnS$_2$: a Monte-Carlo simulation of Boltzmann transport equation