Open AccessSuppressed Thermal Conductivity of Bilayer Graphene with Vacancy-Initiated Linkages
Author(s) -
Haifei Zhan,
Yingyan Zhang,
John Bell,
Yuantong Gu
Publication year - 2015
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/jp5117905
Subject(s) - thermal conductivity , graphene , vacancy defect , materials science , phonon , chemical physics , molecular dynamics , condensed matter physics , bilayer graphene , scattering , bilayer , thermal , bridging (networking) , phonon scattering , nanotechnology , composite material , computational chemistry , chemistry , thermodynamics , membrane , optics , physics , computer network , biochemistry , computer science
Through larger-scale molecular dynamics simulations, we investigated the impacts from vacancy-initiated linkages on the thermal conductivity of bilayer graphene sheets (of size L × W = 24.5 nm × 3.7 nm). Three different interlayer linkages, including divacancy bridging, “spiro” interstitial bridging and Frenkel pair defects, are considered. It is found that the presence of interlayer linkages induces a significant degradation in the thermal conductivity of the bilayer graphene sheet. The degradation is strongly dependent on the interlayer linkage type, concentration and location. More importantly, the linkages that contain vacancies lead to more severe suppression of the thermal conductivity, in agreement with theoretical predictions that vacancies induce strong phonon scattering. Our finding provides useful guidelines for the application of multilayer graphene sheets in practical thermal management
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