Ordered water layers by interfacial charge decoration leading to an ultra-low Kapitza resistance between graphene and water

Ma, Yue; Zhang, Zhongwei; Chen, Jige; Sääskilahti, Kimmo; Volz, Sébastian; Chen, Jie

doi:10.1016/j.carbon.2018.04.030

Cited by 89 publications

(61 citation statements)

References 45 publications

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“…14,15 Therefore, attention has focused on improving thermal-transport properties across graphene-so-material interfaces. Ma et al 16 suggested that charge decoration on graphene can decrease the Kapitza resistance between graphene and water. Alexeev et al 17 found that the number of the layers in fewlayer graphene determined the Kapitza resistance between graphene and water by molecular dynamics (MD) simulations.…”

Section: Introductionmentioning

confidence: 99%

Enhanced thermal conductance at the graphene–water interface based on functionalized alkane chains

et al. 2019

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Section: Introductionmentioning

confidence: 99%

Enhanced thermal conductance at the graphene–water interface based on functionalized alkane chains

et al. 2019

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“…By establishing a temperature jump T at the interface, the interfacial thermal Δ resistance R is calculated as (61) where J is the heat flux through the interface. This method is widely used to investigate the thermal transport across different 108,156,157 interfaces, including solid/solid, solid/liquid, solid/gas, and so on. However, when one side of the interface is metal, electrons can contribute to heat transport, and one has to consider other heat transport mechanism, such as electron-phonon interaction.…”

Section: 140mentioning

confidence: 99%

A Review of Simulation Methods in Micro/Nanoscale Heat Conduction

Bao¹,

Chen²,

Gu³

et al. 2018

ES Energy Environ.

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128

108

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Significant progress has been made in the past two decades about the micro/nanoscale heat conduction. Many computational methods have been developed to accommodate the needs to investigate new physical phenomena at micro/nanoscale and support the applications like microelectronics and thermoelectric materials. In this review, we first provide an introduction of state-of-the-art computational methods for micro/nanoscale conduction research. Then the physical origin of size effects in thermal transport is presented. The relationship between the different methods and their classification are discussed. In the subsequent sections, four commonly used simulation methods, including first-principles Boltzmann transport equation, molecular dynamics, non-equilibrium Green's function, and numerical solution of phonon Boltzmann transport equation will be reviewed in details. The hybrid method and coupling scheme for multiscale heat transfer simulation are also briefly discussed.

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“…Indeed, in the case of the silver-water interface, we also see some structuring. The density of water shells directly obtained from molecular dynamics simulation ( Figure 6 a and b) clearly shows that the density of the first water shell (r=1.1 nm) is different from the other shells [37] [38]. The thermal behavior of water shells adjacent to the nanoparticle can be described by a solid-like model and a thermal conduction mechanism could be considered for describing the heat transfer within those shells [39].…”

Section: Heat Transport Mechanism In Surrounding Watermentioning

confidence: 99%

Thermal transport at a nanoparticle-water interface: A molecular dynamics and continuum modeling study

Rajabpour

Seif

Arabha

et al. 2019

The Journal of Chemical Physics

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Heat transfer between a silver nanoparticle and surrounding water has been studied using molecular dynamics (MD) simulations. The thermal conductance (Kapitza conductance) at the interface between a nanoparticle and surrounding water has been calculated using four different approaches: transient with/without temperature gradient (internal thermal resistance) in the nanoparticle, steady-state non-equilibrium and finally equilibrium simulations. The results of steady-state non-equilibrium and equilibrium are in agreement but differ from the transient approach results. MD simulations results also reveal that in the quenching process of a hot silver nanoparticle, heat dissipates into the solvent over a length-scale of ~ 2nm and over a timescale of less than 5ps. By introducing a continuum solid-like model and considering a heat conduction mechanism in water, it is observed that the results of the temperature distribution for water shells around the nanoparticle agree well with MD results. It is also found that the local water thermal conductivity around the nanoparticle is greater by about 50 percent than that of bulk water. These results have important implications for understanding heat transfer mechanisms in nanofluids systems and also for cancer photothermal therapy, wherein an accurate local description of heat transfer in an aqueous environment is crucial.

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Ordered water layers by interfacial charge decoration leading to an ultra-low Kapitza resistance between graphene and water

Cited by 89 publications

References 45 publications

Enhanced thermal conductance at the graphene–water interface based on functionalized alkane chains

Enhanced thermal conductance at the graphene–water interface based on functionalized alkane chains

A Review of Simulation Methods in Micro/Nanoscale Heat Conduction

Thermal transport at a nanoparticle-water interface: A molecular dynamics and continuum modeling study

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