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First‐Principle‐Based Phonon Transport Properties of Nanoscale Graphene Grain Boundaries
The integrity of phonon transport properties of large graphene (linear and curved) grain boundaries (GBs) is investigated under the influence of structural and dynamical disorder. To do this, density functional tight‐binding (DFTB) method is combined with atomistic Green's function technique. T...
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| Publicado no: | Adv Sci (Weinh) |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5827104/ https://ncbi.nlm.nih.gov/pubmed/29619296 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/advs.201700365 |
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