Local strain effect on the thermal transport of graphene nanoribbons: a molecular dynamics investigation

Literature Information

Publication Date 2015-04-01
DOI 10.1039/C4CP06014H
Impact Factor 3.676
Authors

Lanqing Xu, Xiaoman Zhang, Yongping Zheng


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Abstract

Strain engineering of the thermal conductivity of graphene is highly desirable for various nanoscale thermal devices. Previous investigations have been focused mainly on the uniform strain applied uniaxially or biaxially. In this work we investigated, by non-equilibrium molecular dynamics simulations, the thermal transport behavior of graphene nanoribbons under local, nonuniform strain. A capped carbon nanotube (CNT) is used as a representative tip to indent the graphene, which creates a local stress field similar to those induced by nanoindentation or molecular adsorption. The relationship among structural deformations, phonon transport, and stress field was analyzed, and the effects of indentation depth and tip–surface interaction strength were discussed. More than 50% reduction of thermal conductance can be observed for a 20 nm × 5 nm graphene nanoribbon upon indentation. Our study revealed that the thermal transport of graphene responds flexibly and sensitively to the local strain, which can be exploited for new functional nanodevices across various disciplines such as position sensing or molecular sensing. Thermal sensors based on graphene can then be constructed.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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