Thermal Conductivity of Graphene Nanoribbons with Regular Isotopic Modification
CY Li and L Miao and XJ Tan and MD Han and JJ Jiang, JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 11, 348-352 (2014).
The thermal conductivity of graphene nanoribbons (GNRs) with C-13 and C-14 regular modification is investigated by using molecular dynamics simulation. By changing the mass of the isotopic atoms, we find that the thermal conductivity of the interface depends crucially on the thermal conductivity of interfaces. The value of the thermal resistance of C-12-C-14 interface is over twice the value of the thermal resistance of C-12-C-13 interface and C-13-C-14 interface. It is interesting that comparing with the randomly,isotopic modification, the GNRs with regular isotopic modification appears other regularity. With the increase of the width of isotopic region, the thermal conductivity of GNR decreases first and then remains constant. This phenomenon owns to the reason that the width of isotopic region affects the phonon mean free path significantly. Besides, the modification of doping align can amplify or diminish the thermal effect of interfaces.
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