Non equilibrium molecular dynamics simulation study of thermal conductivity in doped graphene nanoribbons
| Autor: | Ana Claudia Kipper, Leandro Barros da Silva |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Materials science Silicon Dopant Doping chemistry.chemical_element 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Atomic mass Electronic Optical and Magnetic Materials Thermal conductivity chemistry Chemical physics 0103 physical sciences Atom Electrical and Electronic Engineering 0210 nano-technology Boron Graphene nanoribbons |
| Zdroj: | Physica B: Condensed Matter. 556:1-5 |
| ISSN: | 0921-4526 |
| DOI: | 10.1016/j.physb.2018.12.026 |
| Popis: | Thermal conductivity of graphene nanoribbons modified by atomic substitution is studied by molecular dynamics simulations. The substitutional doping by nitrogen, boron or silicon results in a non-linear decrease of thermal conductivity (κ) as the dopant concentration (η) is increased, suggesting a saturation in κ when a certain value of η is reached. Beyond dopant concentration, the overall profile of κ shows a strong dependence on edge chirality and the atomic mass of the substitutional atom. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect