In-plane thermal conductivity of graphene nanomesh: A molecular dynamics study

Yarifard, Mohsen; Davoodi, Jamal; Rafii-Tabar, Hashem

doi:10.1016/j.commatsci.2015.09.033

Cited by 40 publications

(20 citation statements)

References 54 publications

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“…indicated that the presence of the dispersed Stone–Thrower–Wales defects can decrease thermal conductivity by more than 50%20. Moreover, the thermal conductivity of tailored graphene shows different tendency with the mesh pores in different shapes, size, density and arrangement2122, etc. Recently, a new structure of graphene shows the extreme reduction of the thermal conductivity by tailoring sizes in graphene nanoribbon kirigami, whose thermal conductivity is about two orders of magnitude lower than that of the corresponding GNR23.…”

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confidence: 99%

Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation

Zhang

Hao

Wang

et al. 2017

Sci Rep

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Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12–16% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications.

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confidence: 99%

Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation

Zhang

Hao

Wang

et al. 2017

Sci Rep

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“…Thus, graphene has been considered as one of the best candidate materials for the post-COMS (complementary metal-oxide-semiconductor) 10 and flexible electronic device technology 11,12 due to all its advanced properties. In addition, the properties of graphene can be adjusted on demand by doping, 13 strain, 14 defects, [15][16][17][18] chemical functionalization 19 and tailoring, 20 (such as, the thermal conductivity of graphene is decreased by ~50% with Stone-Wales defects, 17 ~60% with strain 14 and ~80% with chemical functionalization. 19 ) etc, for a variety of purposes.…”

Section: Introductionmentioning

confidence: 99%

Thermal conductivity of graphene kirigami: Ultralow and strain robustness

Wei

Yang

Cai

et al. 2016

Carbon

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Kirigami structure, from the macro-to the nanoscale, exhibits distinct and tunable properties from original 2-dimensional sheet by tailoring. In present work, the extreme reduction of the thermal conductivity by tailoring sizes in graphene nanoribbon kirigami (GNR-k) is demonstrated using nonequilibrium molecular dynamics simulations. The results show that the thermal conductivity of GNR-k (around 5.1 Wm-1K-1) is about two orders of magnitude lower than that of the pristine graphene nanoribbon (GNR) (around 151.6 Wm-1K-1), while the minimum value is expected to be approaching zero in extreme case from our theoretical model. To explore the origin of the reduction of the thermal conductivity, the micro-heat flux on each atoms of GNR-k has been further studied. The results attribute the reduction of the thermal conductivity to three main sources as: the elongation of real heat flux path, the overestimation of real heat flux area and the phonon scattering at the vacancy of the edge. Moreover, the strain engineering effect on the thermal conductivity of GNR-k and a thermal robustness property has been investigated. Our results provide physical insights into the origins of the ultralow and robust thermal conductivity of GNR-k, which also suggests that the GNR-k can be used for nanaoscale heat management and thermoelectric application.

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“…Then, the dynamics of the point mass can be described by the Langevin equation [53,54]: (11) where µ is the viscous friction coefficient, and ξ(t) is the thermal noise term, which obeys Gaussian distribution and satisfies the fluctuationdissipation theorem:…”

Section: Simulation Methodologymentioning

confidence: 99%

“…It was first extracted from graphite using the mechanical cleaving method in 2004 [1]. As an ideal candidate for next generation nanodevices, graphene have many extraordinary electrical [2][3][4], mechanical [5][6][7], optical [8][9][10], and thermal properties [11][12][13]. The high electron mobility of graphene makes it a promising material for nanoscale logical devices; the exceptional sensitivity makes it have the potential for application in chemical sensor; the powerful and broadband absorption of optical spectrum makes it play an important role in photodetector fabrication; and especially ultrahigh thermal conductivity makes it fundamentally and practically significant in the performance and reliability of nanoelectronic devices.…”

Section: Introductionmentioning

confidence: 99%

Optical-assistant characterization of friction anisotropy properties of single-crystal graphene domains

Liu

2017

Tribology International

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In-plane thermal conductivity of graphene nanomesh: A molecular dynamics study

Cited by 40 publications

References 54 publications

Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation

Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation

Thermal conductivity of graphene kirigami: Ultralow and strain robustness

Optical-assistant characterization of friction anisotropy properties of single-crystal graphene domains

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