Thermal conductivity and thermal rectification in H-terminated graphene nanoribbons

Fan, Haibiao; Deng, Lin; Yuan, Xin; Guo, Juan; Li, Xialong; Yang, Ping

doi:10.1039/c5ra05154a

Cited by 9 publications

(8 citation statements)

References 34 publications

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“…By adjusting the coverage and distribution patterns of hydrogen adsorbates on graphene's edge or surface, significant thermal rectifications can be achieved. [48][49][50] Due to the significant effects of hydrogenation on thermal transport, it is necessary to investigate its impact on the interfacial thermal conductance between phosphorene and graphene. In practice, hydrogen atoms can be attached to the single or both sides of a graphene sheet.…”

Section: Effects Of Hydrogenationmentioning

confidence: 99%

Interlayer thermal conductance within a phosphorene and graphene bilayer

2016

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Monolayer graphene possesses unusual thermal properties, and is often considered as a prototype system for the study of thermal physics of low-dimensional electronic/thermal materials, despite the absence of a direct bandgap. Another two-dimensional (2D) atomic layered material, phosphorene, is a natural p-type semiconductor and it has attracted growing interest in recent years. When a graphene monolayer is overlaid on phosphorene, the hybrid van der Waals (vdW) bilayer becomes a potential candidate for high-performance thermal/electronic applications, owing to the combination of the direct-bandgap properties of phosphorene with the exceptional thermal properties of graphene. In this work, the interlayer thermal conductance at the phosphorene/graphene interface is systematically investigated using classical molecular dynamics (MD) simulation. The transient pump-probe heating method is employed to compute the interfacial thermal resistance (R) of the bilayer. The predicted R value at the phosphorene/graphene interface is 8.41 × 10 K m W at room temperature. Different external and internal conditions, i.e., temperature, contact pressure, vacancy defect, and chemical functionalization, can all effectively reduce R at the interface. Numerical results of R reduction as a function of temperature, interfacial coupling strength, defect ratio, or hydrogen coverage are reported with the most R reduction amounting to 56.5%, 70.4%, 34.8% and 84.5%, respectively.

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Section: Effects Of Hydrogenationmentioning

confidence: 99%

Interlayer thermal conductance within a phosphorene and graphene bilayer

2016

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“…The simulation study is helpful for us to predict the properties of new materials, so as to better promote our experiments. Previous molecular dynamics simulation studies have shown that the structure, [7,34,[36][37][38][39][40][41][42] thickness, [38,43] defect, [44][45][46][47] doping type, [41,48,49] external stain, [50][51][52] and heterogenous structure [53][54][55][56] of graphene can influence the performance of thermal rectifier. In this section, the molecular dynamics simulation results of previous graphene thermal rectification characteristics are summarized, which will contribute to development of new graphene-based thermal rectifiers.…”

Section: Molecular Dynamics For Graphene-based Thermal Rectifiermentioning

confidence: 99%

“…Y shape 63% 1/2 [38] U shape 104% 1 [37] H shape 33.7%. 1 [42] on the work of the experiments, in which practical thermal rectifier devices were realized. In 2012, Tian et al [40] created a macroscopic scale thermal rectifier based on reduced graphene oxide (GO) with triangular and two-rectangular structure.…”

Section: Shapesmentioning

confidence: 99%

“…Because the thermal rectification properties of graphene nanoribbon are derived from their anisotropy, the shape of graphene film is crucial. Previous molecular dynamics simulations have examined graphene nanoribbon with different shapes in detail, including Y shape, U shape, H shape, etc. The thermal rectification characteristics of graphene nanoribbon with different shapes are summarized in Table 3 .…”

Section: Uncoupled Thermal Devicementioning

confidence: 99%

See 1 more Smart Citation

Graphene‐Based Devices for Thermal Energy Conversion and Utilization

Tian

Sun

et al. 2019

Adv Funct Materials

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Thermal energy conversion and utilization of integrated circuits is a very important research topic. Graphene is a new 2D material with superior electrical, mechanical, thermal, and optical properties, which is expected to continue Moore's law and make breakthroughs in the direction of “More than Moore.” Graphene‐based functionalized devices are applied in various aspects, including breakthroughs in thermal devices, due to their high thermal conductivity and thermal rectification. According to the coupling of different physical quantities, graphene‐based thermal devices can be divided into four categories: uncoupled thermal devices, thermoacoustic coupling devices, thermoelectric coupling devices, and thermo‐optical coupling devices. The structure, working mechanism, and performance of these devices are discussed, as well as the coupling methods of physical quantities. Moreover, scale‐up production of graphene and prospect for future graphene‐based thermal devices are summarized. In‐depth study of the development tendency of these graphene‐based thermal devices is expected to contribute to the development of new high‐performance thermal nanoelectronic devices in the future.

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“…3 Recently, it has been reported that the single asymmetric material of reduced graphene oxide (rGO) can produce a heat rectication phenomenon at the macroscopic scale based on the dependencies of thermal conductivity of rGO on temperatures. 9 At the nanoscale, the thermal rectication effect of the different asymmetric structures, including asymmetric carbon nanotubes, 1,5,7,[14][15][16][17][18][19] graphene nanoribbons, 11,[20][21][22][23][24] nanoporous silicon, 25 and graphene, 4,6,9,10,16,26 was studied in-depth, and simulated using molecular dynamics theory and classical nonequilibrium simulation. The abovementioned research studies have shown that the geometric asymmetry was a very valid way to increase the rectication ratio.…”

mentioning

confidence: 99%