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Paper   IPM / Nano-Sciences / 18247
School of Quantum Physics and Matter
  Title:   Heat Dissipation and Thermoelectric Performance of InSe-Based Monolayers: A Monte Carlo Simulation Study
  Author(s): 
1.  Seyedeh Ameneh Bahadori
2.  Zahra Shomali
3.  reza Asgari
  Status:   Submitted
  Journal:
  Year:  2025
  Supported by:  IPM
  Abstract:

Using nonequilibrium Monte Carlo simulations of the phonon Boltzmann transport equation, we study transient heat transfer in five indium-based two-dimensional monolayers: Janus monolayers In2SeTe and In2SSe, pristine InSe, and InSe under 4% and 6% tensile strain. In this work, the potential of these materials for energy conversion in thermoelectric generators and thermal control in metal-oxide-semiconductor field-effect transistors is investigated.

A promising option for effective heat dissipation and enhanced transistor reliability, strained InSe shows the lowest peak temperature during heating among the materials studied. With a high Seebeck coefficient, low thermal conductivity, and an improved figure of merit, the Janus In2SeTe monolayer, on the other hand, compensates for its increased phonon scattering to reach the maximum temperatures, making it a potent thermoelectric material.

Our findings emphasize the importance of strain engineering and structural asymmetry in tuning phonon transport, enabling material optimization for next-generation nanoelectronic and energy-harvesting devices.



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