First-Principle-Based Phonon Transport Properties of Nanoscale Graphene Grain Boundaries
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چکیده
منابع مشابه
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. The results show that curved GBs have lower thermal conductance than linear GBs. Its magnitude depends ...
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ژورنال
عنوان ژورنال: Advanced Science
سال: 2018
ISSN: 2198-3844
DOI: 10.1002/advs.201700365