Heat Dissipation and Thermoelectric Performance of InSe-Based Monolayers: A Monte Carlo Simulation Study

2025/06/09 by Seyedeh Ameneh Bahadori, Bahadori, Seyedeh Ameneh, Zahra Shomali +3 · 1 citation
Materials Science · #2D Materials and Applications #Advanced Thermoelectric Materials and Devices #Applied Physics (physics.app-ph) #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Thermal properties of materials

paper · pdf · doi:10.48550/arxiv.2506.08212

openalex publication_date 2025/06/09 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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 hotspot control in metal-oxide-semiconductor field-effect transistors is investigated. A promising option for an effective heat dissipation and enhanced transistor reliability is found to be a strained InSe, which shows the lowest peak temperature during the heating among the studied materials. On the other hand, with a high Seebeck coefficient, low thermal conductivity, and an improved figure of merit, the Janus In₂SeTe monolayer, compensates for its increased phonon scattering to reach the maximum temperature, making it a potent thermoelectric material. Our findings emphasis the importance of strain engineering and structural asymmetry in tuning phonon transport, enabling material optimization for next-generation nanoelectronic and energy-harvesting devices.

Citations

• Thermal transport in thermoelectric materials of SnSSe and SnS₂: a non-equilibrium Monte-Carlo simulation of Boltzmann transport equation
• Implementation of nonlocal non-Fourier heat transfer for semiconductor nanostructures
• An investigation into the reliability of newly proposed MoSi₂N₄/WSi₂N₄ field-effect transistors: A monte carlo study
• A time-fractional dual-phase-lag framework to investigate transistors\n with TMTC channels (TiS3, In4Se3) and size-dependent properties

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