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Tailoring Thermal Transport Property of Graphene through Oxygen Functionalization
- Source :
- The Journal of Physical Chemistry C. 118:1436-1442
- Publication Year :
- 2014
- Publisher :
- American Chemical Society (ACS), 2014.
-
Abstract
- We compute thermal conductivity of graphene oxide at room temperature with molecular dynamics simulation. To validate our simulation model, we have investigated phonon scattering in graphene due to crystal boundary length and isotope defect, both of which are able to diagnose the behavior of long wavelength and short wavelength phonon scattering. Our simulation shows that thermal conductivity of pristine graphene has logarithmic divergence for the boundary length up to 2 μm. As compared with pristine graphene, thermal conductivity of graphene oxide can be reduced by a factor of 25 at low oxygen defect concentration. Moreover, we find that not only the concentration but also the configuration of the oxygen functional groups (e.g., hydroxyl, epoxide, and ether) has significant influence on the thermal conductivity. Through phonon mode analysis, phonon defect scattering as well as phonon localization are mainly responsible for the conspicuous reduced thermal conductivity. The simulation results have provided...
- Subjects :
- Materials science
Phonon scattering
Scattering
Graphene
Phonon
Oxide
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
law.invention
Crystal
Condensed Matter::Materials Science
chemistry.chemical_compound
General Energy
Thermal conductivity
chemistry
Chemical physics
law
Physics::Chemical Physics
Physical and Theoretical Chemistry
Graphene nanoribbons
Subjects
Details
- ISSN :
- 19327455 and 19327447
- Volume :
- 118
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry C
- Accession number :
- edsair.doi...........8fa354197dedc8a1d3ac0dccd2acd854