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Enhancement of thermal transport properties of asymmetric Graphene/hBN nanoribbon heterojunctions by substrate engineering

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dc.contributor.author Medrano Sandonas L. es_PE
dc.contributor.author Cuba-Supanta G. es_PE
dc.contributor.author Gutierrez R. es_PE
dc.contributor.author Dianat A. es_PE
dc.contributor.author Landauro C.V. es_PE
dc.contributor.author Cuniberti G. es_PE
dc.date.accessioned 2024-05-30T23:13:38Z
dc.date.available 2024-05-30T23:13:38Z
dc.date.issued 2017
dc.description L.M.S. thanks to the International Max Planck Research School Dynamical processes in atoms, molecules and solids and the Deutscher Akademischer Austauschdienst(DAAD) for the financial support. G.C.S. and C.V.L. are grateful to National Council of Science and Technology (CONCYTEC) from Peru for the financial support through the Doctoral Program for Peruvian Universities (Nº 218-2014-CONCYTEC) and the Peruvian Excellence Center Program, respectively. This work has also been partly supported by the German Research Foundation(DFG) within the Cluster of Excellence “Center for Advancing Electronics Dresden”. We acknowledge the Center for Information Services and High Performance Computing (ZIH) at TU Dresden for computational resources.
dc.description.abstract Two-dimensional heterostructures offer a new route to manipulate phonons at the nanoscale. By performing non-equilibrium molecular dynamics simulations we address the thermal transport properties of structurally asymmetric graphene/hBN nanoribbon heterojunctions deposited on several substrates: graphite, Si(100), SiC(0001), and SiO2. Our results show a reduction of the interface thermal resistance in coplanar G/hBN heterojunctions upon substrate deposition which is mainly related to the increment on the power spectrum overlap. This effect is more pronounced for deposition on Si(100) and SiO2 substrates, independently of the planar stacking order of the materials. Moreover, it has been found that the thermal rectification factor increases as a function of the degree of structural asymmetry for hBN-G nanoribbons, reaching values up to 24%, while it displays a minimum () for G-hBN nanoribbons. More importantly, these properties can also be tuned by varying the substrate temperature, e.g., thermal rectification of symmetric hBN-G nanoribbon is enhanced from 8.8% to 79% by reducing the temperature of Si(100) substrate. Our investigation yields new insights into the physical mechanisms governing heat transport in G/hBN heterojunctions, and thus opens potential new routes to the design of phononic devices.
dc.description.sponsorship Consejo Nacional de Ciencia, Tecnología e Innovación Tecnológica - Concytec
dc.identifier.doi https://doi.org/10.1016/j.carbon.2017.09.025
dc.identifier.scopus 2-s2.0-85029426712
dc.identifier.uri https://hdl.handle.net/20.500.12390/591
dc.language.iso eng
dc.publisher Elsevier Ltd
dc.relation.ispartof Carbon
dc.rights info:eu-repo/semantics/openAccess
dc.subject Transportation routes
dc.subject Deposition es_PE
dc.subject Graphene es_PE
dc.subject Interfaces (materials) es_PE
dc.subject Molecular dynamics es_PE
dc.subject Nanoribbons es_PE
dc.subject Silica es_PE
dc.subject Silicon es_PE
dc.subject Silicon carbide es_PE
dc.subject Substrates es_PE
dc.subject Transport properties es_PE
dc.subject Interface thermal resistance es_PE
dc.subject Non equilibrium molecular dynamic (NEMD) es_PE
dc.subject Rectification factors es_PE
dc.subject Structural asymmetry es_PE
dc.subject Substrate engineering es_PE
dc.subject Substrate temperature es_PE
dc.subject Thermal transport es_PE
dc.subject Thermal transport properties es_PE
dc.subject Heterojunctions es_PE
dc.subject.ocde https://purl.org/pe-repo/ocde/ford#2.07.00
dc.title Enhancement of thermal transport properties of asymmetric Graphene/hBN nanoribbon heterojunctions by substrate engineering
dc.type info:eu-repo/semantics/article
dspace.entity.type Publication
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