Vibration behavior of diamondene nano-ribbon passivated by hydrogen

Wang, Lei; Zhang, Ranran; Shi, Jing; Cai, Kun

doi:10.1038/s41598-019-52343-x

Cited by 5 publications

(3 citation statements)

References 35 publications

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“…This diamond-like nanoscale film formed by two-layer graphene upon compression exhibits stiffness and hardness comparable to diamond. Since then, diamond-like few-layer graphene sheets have attracted tremendous interest, because of their robust stability and excellent mechanical properties [11][12][13][14][15][16][17][18][19][20][21][22]. For example, Ke et al observed a semiconducting characteristic in compressed tri-layer graphene with an intrinsic band gap of around 2.5 eV [11].…”

Section: Introductionmentioning

confidence: 99%

The important role of strain on phonon hydrodynamics in diamond-like bi-layer graphene

Yin

et al. 2020

Nanotechnology

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In this work, combining first-principles calculation and the phonon Boltzmann transport equation, we explored the diffusive thermal conductivity of diamond-like bi-layer graphene. The converged iterative solution provides high room temperature thermal conductivity of 2034 W mK−1, significantly higher than other 2D materials. More interesting, the thermal conductivity calculated by relaxation time approximation is about 33% underestimated, revealing a remarkable phonon hydrodynamic transport characteristic. Significant strain dependence is reported, for example, under 5% tensile strain, room temperature thermal conductivity (1081 W mK−1) of only about 50% of the strain-free sample, and under 20% strain, it reduces dramatically to only about 11% of the intrinsic one (226 W mK−1). Unexpectedly, in addition to the remarkable reduction in the absolute value of thermal conductivity, tensile strain can impact the hydrodynamic significance. For example, under 5% strain, the underestimation of relaxation time approximation in thermal conductivity is reduced to 20%. Furthermore, using a non-equilibrium Green’s function calculation, high ballistic thermal conductance (2.95 GW m−2 K–1) is demonstrated, and the mean free path is predicted to be 700 nm at room temperature. The importance of the knowledge of phonon transport in diamond-like bi-layer graphene goes beyond fundamental physics owing to its relevance to thermal management applications due to the super-high thermal conduction.

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Section: Introductionmentioning

confidence: 99%

The important role of strain on phonon hydrodynamics in diamond-like bi-layer graphene

Yin

et al. 2020

Nanotechnology

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“…By putting two or more graphene layers at high pressure, Martins et al [22] tested the phase transition that leading to diamondene [23][24][25][26][27]. The thermal and mechanical properties of diamondene were also explored for its wider engineering applications [28][29][30][31][32]. Jiang et al [33] proposed a new model of double-layered graphene that has a strain-dependent bandgap.…”

Section: Introductionmentioning

confidence: 99%

Bonding few-layered graphene via collision with high-speed fullerenes

Shi¹,

Hu²,

Sun³

et al. 2021

Nanotechnology

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Graphene, as a typical two-dimensional material, is popular in the design of nanodevices. The interlayer relative sliding of graphene sheets can significantly affect the effective bending stiffness of the few-layered graphene. For restricting the relative sliding, we adopted the atomic shot peening method to bond the graphene sheets together by ballistic C60 fullerenes from its two surfaces. Collision effects are evaluated via molecular dynamics simulations. Results obtained indicate that the fullerenes’ incident velocity has an interval, in which the graphene sheet can be bonded after collision while no atoms on the fullerenes escaping from the graphene ribbon after collision. The limits of the interval increase with the layer number. Within a few picoseconds of collision, a stable carbon network is produced at an impacted area. The graphene sheets are bonded via the network and cannot slide relatively anymore. Conclusions are drawn to show the way of potential applications of the method in manufacturing a new graphene-based two-dimensional material that has a high out-of-plane bending stiffness.

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“…Low-dimensional carbon materials are classified into several groups, e.g., fullerene [ 1 , 2 ] as zero-dimensional material; a carbon nanotube (CNT) [ 3 ] as one-dimensional material; and two-dimensional materials containing graphene [ 4 , 5 ], graphane [ 6 , 7 , 8 ], diamondene [ 9 , 10 , 11 ]/diamane (with hydrogen atoms) [ 12 , 13 , 14 ], and diamond films [ 13 , 15 , 16 , 17 , 18 , 19 ]. Benefitting from the electron configurations, carbon materials have excellent properties in physics.…”

Section: Introductionmentioning

confidence: 99%

Analogous Diamondene Nanotube Structure Prediction Based on Molecular Dynamics and First-Principle Calculations

Zhou

Cai

et al. 2020

Nanomaterials

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A concentric twin tube (CTT) can be built by placing a carbon nanotube (CNT) in another identical CNT. Different from diamondene nanotubes, a stable CTT has no inter-shell covalent bond. As a prestressed double-walled nanotube, CTT has a lower structural stability at a finite temperature. According to the molecular dynamics and first-principle calculations, (a) CTTs have three types of relaxed configurations. In a type III CTT, the inner tube buckles to produce a V-shaped cross-section, and the outer tube may be convex or concave. (b) The minimal radii of relaxed zigzag and armchair CTTs with concave outer tubes were found. (c) After relaxation, the circumferences and areas of the two tubes in a type III CTT are different from those of the corresponding ideal CNT. The area change rate (A-CR) and circumference change rate (C-CR) of the outer tube are the first-order Gaussian function of the radius of the ideal CNT (which forms the CTT), and tends to be 73.3% of A-CR or 95.3% of C-CR, respectively. For the inner tube of a CTT, the A-CR is between 29.3% and 37.0%, and the C-CR is close to 95.8%. (d) The temperature slightly influences the findings given above.

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Vibration behavior of diamondene nano-ribbon passivated by hydrogen

Cited by 5 publications

References 35 publications

The important role of strain on phonon hydrodynamics in diamond-like bi-layer graphene

The important role of strain on phonon hydrodynamics in diamond-like bi-layer graphene

Bonding few-layered graphene via collision with high-speed fullerenes

Analogous Diamondene Nanotube Structure Prediction Based on Molecular Dynamics and First-Principle Calculations

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