Theoretical Analysis of Thermal Transport in Graphene Supported on Hexagonal Boron Nitride: The Importance of Strong Adhesion Due to pi-Bond Polarization

dc.contributor.utaustinauthorPak, Alexander J.en_US
dc.contributor.utaustinauthorHwang, Gyeong S.en_US
dc.creatorPak, Alexander J.en_US
dc.creatorHwang, Gyeong S.en_US
dc.date.accessioned2017-07-18T20:09:20Z
dc.date.available2017-07-18T20:09:20Z
dc.date.issued2016-09en_US
dc.description.abstractOne important attribute of graphene that makes it attractive for high-performance electronics is its inherently large thermal conductivity (kappa) for the purposes of thermal management. Using a combined density-functional theory and classical molecular-dynamics approach, we predict that the kappa of graphene supported on hexagonal boron nitride (h-BN) can be as large as 90% of the kappa of suspended graphene, in contrast to the significant suppression of kappa (more than 70% reduction) on amorphous silica. Interestingly, we find that this enhanced thermal transport is largely attributed to increased lifetimes of the in-plane acoustic phonon modes, which is a notable contrast from the dominant contribution of out-of-plane acoustic modes in suspended graphene. This behavior is possible due to the charge polarization throughout graphene that induces strong interlayer adhesion between graphene and h-BN. These findings highlight the potential benefit of layered dielectric substrates such as h-BN for graphene-based thermal management, in addition to their electronic advantages. Furthermore, our study brings attention to the importance of understanding the interlayer interactions of graphene with layered dielectric materials which may offer an alternative technological platform for substrates in electronics.en_US
dc.description.departmentChemical Engineeringen_US
dc.description.sponsorshipRobert A. Welch Foundation F-1535en_US
dc.description.sponsorshipNSF-NASCENT Engineering Research Center EEC-1160494en_US
dc.identifierdoi:10.15781/T2K931N4F
dc.identifier.citationPak, Alexander J., and Gyeong S. Hwang. "Theoretical Analysis of Thermal Transport in Graphene Supported on Hexagonal Boron Nitride: The Importance of Strong Adhesion Due to ?-Bond Polarization." Physical Review Applied 6, no. 3 (2016): 034015.en_US
dc.identifier.doi10.1103/PhysRevApplied.6.034015en_US
dc.identifier.issn2331-7019en_US
dc.identifier.urihttp://hdl.handle.net/2152/61073
dc.language.isoEnglishen_US
dc.relation.ispartofUT Faculty/Researcher Worksen_US
dc.relation.ispartofserialPhysical Review Applieden_US
dc.rightsAdministrative deposit of works to Texas ScholarWorks: This works author(s) is or was a University faculty member, student or staff member; this article is already available through open access or the publisher allows a PDF version of the article to be freely posted online. The library makes the deposit as a matter of fair use (for scholarly, educational, and research purposes), and to preserve the work and further secure public access to the works of the University.en_US
dc.rights.restrictionopenen_US
dc.subjectmolecular-dynamicsen_US
dc.subjectconductivityen_US
dc.subjectelectronicsen_US
dc.titleTheoretical Analysis of Thermal Transport in Graphene Supported on Hexagonal Boron Nitride: The Importance of Strong Adhesion Due to pi-Bond Polarizationen_US
dc.typeArticleen_US

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