Thermal conductivity limits of MoS2 and MoSe2: Revisiting high-order anharmonic lattice dynamics with machine learning potentials

Summary

Resolves order-of-magnitude discrepancies in the reported lattice thermal conductivity of MoS2 and MoSe2 by systematically mapping experimental and computational results and applying machine-learning potentials to high-order anharmonic lattice dynamics.

Keywords

thermal conductivity transition metal dichalcogenides MoS2 MoSe2 anharmonic lattice dynamics machine-learning potentials phonons 2D materials

Cite

@article{2025_kocabas_mos2_mose2_thermal_conductivity,
  title = {Thermal conductivity limits of MoS2 and MoSe2: Revisiting high-order anharmonic lattice dynamics with machine learning potentials},
  author = {Tuğbey Kocabaş and Murat Keçeli and Tanju Gürel and Milorad V. Milošević and Cem Sevik},
  journal = {Applied Physics Reviews 12, 041424 (2025)},
  year = {2025},
  doi = {10.1063/5.0300627}
}