Electron and Phonon Transport in Graphene in and out of the Bulk

Issi, J.‐P.; Araújo, Paulo T.; Dresselhaus, M. S.

doi:10.1007/978-3-319-02633-6_3

Cited by 10 publications

(9 citation statements)

References 70 publications

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“…Which the 1 SV shows lowest thermal coefficient followed by the SLSW and the 2 SV. This is an agreement with the condition that the position and the magnitude of the thermal conductivity maximum will depend on the competition between the various scattering process (boundary, defect, phonon) [16]. For instance, the description of the thermal conductance is the measure of the heat passes in unit time through a plate of particular area and thickness when its opposite faces differ in temperature by one Kelvin.…”

Section: Density Of State (Dos)supporting

confidence: 78%

The Ab-initio Study of Bulk Single Layer Defected Graphene Towards Graphene Device

Morsin

Yusof

2017

IJECE

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Graphene is a promising new material for the construction of graphene devices because of its surface modification can be tuned the band gap. In this paper, the electronic and transport characteristics of defected graphene device are investigated. Both the electronic and transport characteristics are simulated using density functional theory (DFT). The band structures and transmission spectra are analyzed. The conductance and thermal conductance characteristic for both graphene is compared. From the simulation, it is found that the conductance, thermal conductance, and the I-V curves depend on the transmission spectrum of the graphene sheet or graphene device itself. The comparison between the defected graphene itself shows that the single layer with two vacancies shows better performance.

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Section: Density Of State (Dos)supporting

confidence: 78%

The Ab-initio Study of Bulk Single Layer Defected Graphene Towards Graphene Device

Morsin

Yusof

2017

IJECE

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“…Unique electronic properties, high chemical stability, and mechanical strength have made graphene a material of interest in various fields ranging from electronics to energy conversion devices. − Reasonably, other group IV elements have been considered as candidates to have a graphenelike two-dimensional (2D) honeycomb structure with similar exceptional properties. − Recently, silicene, germanene, and stanene (2D silicon, germanium, and tin nanosheet, respectively) have been fabricated by epitaxial growth on substrates. − Compared to other 2D group IV materials, the realization of silicene would be of great importance because of its easier incorporation into silicon-based microelectronics industry. First-principles calculations have predicted that silicene has a low-buckled (LB) honeycomb structures. , However, to explain some characteristics of silicene grown on Ag(111) surfaces, some modifications of this graphene-like structure have been proposed: the addition of Si adatoms to LB silicene results in the formation of a dumbbell (DB) structure with a lower total energy per atom. ,− These works enrich the family of 2D group IV materials beyond the LB honeycomb lattices.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Prediction of Ultralow Lattice Thermal Conductivity of Dumbbell Silicene: A Comparison with Low-Buckled Silicene

Peng

Zhang

Shao

et al. 2016

ACS Appl. Mater. Interfaces

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The dumbbell structure of two-dimensional group IV material offers alternatives to grow thin films for diverse applications. Thermal properties are important for these applications. We obtain the lattice thermal conductivity of low-buckled (LB) and dumbbell (DB) silicene by using first-principles calculations and the Boltzmann transport equation for phonons. For LB silicene, the calculated lattice thermal conductivity with naturally occurring isotope concentrations is 27.72 W/mK. For DB silicene, the calculated value is 2.86 W/mK. The thermal conductivity for DB silicene is much lower than LB silicene due to stronger phonon scattering. Our results will induce further theoretical and experimental investigations on the thermoelectric (TE) properties of DB silicene. The size-dependent thermal conductivity in both LB and DB silicene is investigated as well for designing TE devices. This work sheds light on the manipulation of phonon transport in two-dimensional group IV materials by dumbbell structure formed from the addition of adatoms.

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“…Recent years have witnessed many breakthroughs in research on two-dimensional (2D) materials due to their potential applications in next-generation electronic and energy conversion devices [1][2][3][4][5][6][7][8][9][10][11][12][13][14] . Recently, a new type of 2D material, borophene (2D boron sheet) 15 , has been successfully grown on single crystal Ag(111) substrates by two parallel experiments 16,17 .…”

Section: Introductionmentioning

confidence: 99%

Stability and strength of atomically thin borophene from first principles calculations

Peng

Zhang

Shao

et al. 2017

Materials Research Letters

187

104

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A new two-dimensional (2D) material, borophene (2D boron sheet), has been grown successfully recently on single crystal Ag substrates by two parallel experiments [Mannix et al., Science, 2015, 350, 1513] [Feng et al., Nature Chemistry, 2016, advance online publication]. Three main structures have been proposed (β 12 , χ 3 and striped borophene). However, the stability of three structures is still in debate. Using first principles calculations, we examine the dynamical, thermodynamical and mechanical stability of β 12 , χ 3 and striped borophene. Free-standing β 12 and χ 3 borophene is dynamically, thermodynamically, and mechanically stable, while striped borophene is dynamically and thermodynamically unstable due to high stiffness along a direction. The origin of high stiffness and high instability in striped borophene along a direction can both be attributed to strong directional bonding.This work provides a benchmark for examining the relative stability of different structures of borophene.

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Electron and Phonon Transport in Graphene in and out of the Bulk

Cited by 10 publications

References 70 publications

The Ab-initio Study of Bulk Single Layer Defected Graphene Towards Graphene Device

The Ab-initio Study of Bulk Single Layer Defected Graphene Towards Graphene Device

First-Principles Prediction of Ultralow Lattice Thermal Conductivity of Dumbbell Silicene: A Comparison with Low-Buckled Silicene

Stability and strength of atomically thin borophene from first principles calculations

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