Spectral phonon thermal properties in graphene nanoribbons

Ye, Zhenqiang; Cao, Bing‐Yang; Yao, Wen-Jun; Feng, Tianli; Ruan, Xiulin

doi:10.1016/j.carbon.2015.06.008

Cited by 44 publications

(34 citation statements)

References 44 publications

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“…This hypothesis was confirmed by wave-packet MD, where the propagation of phonons is monitored before and after scattering with the edges (Wei, et al, 2012b). There were also explanations from the viewpoint of phonon confinement Tan, et al, 2010;Ye, et al, 2015) and localization (Wang, et al, 2012b).…”

Section: C1 Width Dependencementioning

confidence: 99%

Colloquium: Phononic thermal properties of two-dimensional materials

et al. 2018

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Following the emergence of many novel two-dimensional (2-D) materials beyond graphene, interest has grown in exploring implications for fundamental physics and practical applications, ranging from electronics, photonics, phononics, to thermal management and energy storage. In this Colloquium, we first summarize and compare the phonon properties, such as phonon dispersion and relaxation time, of pristine 2-D materials with single layer graphene to understand the role of crystal structure and dimension on thermal conductivity. We then compare the phonon properties, contrasting idealized 2-D crystals, realistic 2-D crystals, and 3-D crystals, and synthesizing this to develop a physical picture of how the sample size of 2-D materials affects their thermal conductivity. The effects of geometry, such as number of layers, and nanoribbon width, together with the presence of defects, mechanical strain, and substrate interactions, on the thermal properties of 2-D materials are discussed. Intercalation affects both the group velocities and phonon relaxation times of layered crystals and thus tunes the thermal conductivity along 2 both the through-plane and basal-plane directions. We conclude with a discussion of the challenges in theoretical and experimental studies of thermal transport in 2-D materials. The rich and special phonon physics in 2-D materials make them promising candidates for exploring novel phenomena such as topological phonon effects and applications such as phononic quantum devices.

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Section: C1 Width Dependencementioning

confidence: 99%

Colloquium: Phononic thermal properties of two-dimensional materials

et al. 2018

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“…It was shown that for the same width graphene nanoribbons, the one with zigzag edge usually have higher thermal conductivity than that with the armchair edge. Many explanations have been proposed to interpret the chiralitydependent thermal conductivity for graphene nanoribbons, such as the difference on the strength of phonon-boundary scattering [44,45], phonon group velocity [46] or the degrees of localization [47]. Considering that the armchair graphene edge has more defects per unit length than the zigzag edge, it is very likely phonons in the armchair graphene nanoribbon scatter more often with the boundary which results in its lower thermal conductivity.…”

Section: Thermal Propertiesmentioning

confidence: 99%

On the influence of junction structures on the mechanical and thermal properties of carbon honeycombs

Pang

Wei

et al. 2017

Carbon

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a b s t r a c tCarbon honeycomb is a 3-dimensional carbon allotrope experimentally discovered recently, but its lattice structure has not been well identified. In this paper, we perform density-functional theory (DFT) calculations to examine the stability of carbon honeycombs with different configurations (chirality and sidewall width). We find that graphene nanoribbons with both zigzag edges and armchair edges can form stable carbon honeycombs if sp 3 carbon-carbon bonding is formed in the junction. We further study the mechanical properties and the thermal conductivity of carbon honeycombs with different chirality and the sidewall widths using both DFT calculations and molecular dynamics simulations. All these stable carbon honeycombs exhibit superior mechanical properties (large strength and ductility) and high thermal conductivity (larger than 100 W/m K) with a density as low as 0.5 g/cm 3. Light-weight carbon honeycombs could be promising functional materials for many engineering applications.

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“…Phonon relaxation time is also one of the most essential physical properties for graphene, which is often utilized to estimate the lattice thermal conductivity contributed from each mode. 37,49 To calculate the phonon relaxation time of graphene, Ref. 50 used the original Tersoff while Ref.…”

Section: Introductionmentioning

confidence: 99%

Phonon thermal properties of graphene from molecular dynamics using different potentials

Zou

Cao

2016

The Journal of Chemical Physics

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Phonon thermal transport in graphene has attracted significant interest in recent years. Phonon thermal properties of graphene are investigated by molecular dynamics simulations using the Tersoff, Tersoff-2010, REBO, and AIREBO potentials. By calculating the phonon properties and thermal conductivity of graphene, the performance of the potentials is evaluated based on comparisons with experimental data. It shows that the Tersoff-2010 and REBO display better dispersion curves for graphene than the original Tersoff and AIREBO. The Tersoff-2010 correctly provides the Γ point phonon velocities of the LA and TA branches as well as the G peak frequency with a value of 46 THz. In addition, the acoustic phonon relaxation time derived from the Tersoff-2010 satisfies the ideal relation "τ ∝ ν." It is also found that the Tersoff-2010 provides the highest graphene thermal conductivity among the used potentials, and estimates about 30.0% contribution for flexural phonons to the total thermal conductivity. By comparison, the Tersoff-2010 potential is demonstrated to be the most suitable one to describe the phonon thermal properties of graphene.

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Spectral phonon thermal properties in graphene nanoribbons

Cited by 44 publications

References 44 publications

Colloquium: Phononic thermal properties of two-dimensional materials

Colloquium: Phononic thermal properties of two-dimensional materials

On the influence of junction structures on the mechanical and thermal properties of carbon honeycombs

Phonon thermal properties of graphene from molecular dynamics using different potentials

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