We investigate the thermal conductivity of plumbene using molecular dynamics
simulations, overcoming existing limitations by optimizing the parameters of
Tersoff and Stillinger-Weber potentials via artificial neural networks. Our
findings indicate that at room temperature, the thermal conductivity of a 1050
A* 300 A plumbene sheet is approximately 8 W/m.K, significantly lower (23%)
than that of bulk lead. Our analysis elucidates that thermal conductivity is
enhanced by increased sample length, while it is reduced by temperature.
Moreover, plumbene samples with zigzag edges display superior thermal
conductivity compared to those with armchair edges. In addition, the thermal
conductivity of plumbene exhibits an increase at low tensile strains, whereas
it decreases as the strains become larger. This investigation provides crucial
insights into the thermal conductivity behavior of plumbene under varying
conditions.Comment: 24 pages, 8 figures, to appear in Physical Chemistry Chemical Physics
(PCCP