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|Title:||First principle study of the thermal conductance in graphene nanoribbon with vacancy and substitutional silicon defects|
|Authors:||Jiang, J.-W. |
|Citation:||Jiang, J.-W., Wang, B.-S., Wang, J.-S. (2011-03-14). First principle study of the thermal conductance in graphene nanoribbon with vacancy and substitutional silicon defects. Applied Physics Letters 98 (11) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.3567768|
|Abstract:||The thermal conductance in graphene nanoribbon with a vacancy or silicon point defect is investigated by nonequilibrium Green's function (NEGF) formalism combined with first-principles calculations of density-functional theory with local density approximation. The thermal conductance is very sensitive to the position of the vacancy defect, while insensitive to the position of silicon defect. A vacancy defect situated at the center of the nanoribbon generates a saddlelike surface, which greatly reduces the thermal conductance by strong scattering to all phonon modes; while an edge vacancy defect only results in a further reconstruction of the edge and slightly reduces the thermal conductance. © 2011 American Institute of Physics.|
|Source Title:||Applied Physics Letters|
|Appears in Collections:||Staff Publications|
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