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Title: Thermal conductivity of graphene mediated by strain and size

Journal Article · · International Journal of Heat and Mass Transfer
 [1];  [2];  [3];  [4];  [5]
  1. Jinan Univ., Guanzhou (China); The Hong Kong Univ. of Science and Technology, Kowloon (Hong Kong)
  2. The Hong Kong Univ. of Science and Technology, Kowloon (Hong Kong); Hong Kong Polytechnic Univ. Shenzhen Research Institute, Shenzhen (China)
  3. Jinan Univ., Guanzhou (China)
  4. The Hong Kong Univ. of Science and Technology, Kowloon (Hong Kong)
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Based on first-principles calculations and full iterative solution of the linearized Boltzmann–Peierls transport equation for phonons, we systematically investigate effects of strain, size and temperature on the thermal conductivity k of suspended graphene. The calculated size-dependent and temperature-dependent k for finite samples agree well with experimental data. The results show that, contrast to the convergent room-temperature k = 5450 W/m-K of unstrained graphene at a sample size ~8 cm, k of strained graphene diverges with increasing the sample size even at high temperature. Out-of-plane acoustic phonons are responsible for the significant size effect in unstrained and strained graphene due to their ultralong mean free path and acoustic phonons with wavelength smaller than 10 nm contribute 80% to the intrinsic room temperature k of unstrained graphene. Tensile strain hardens the flexural modes and increases their lifetimes, causing interesting dependence of k on sample size and strain due to the competition between boundary scattering and intrinsic phonon–phonon scattering. k of graphene can be tuned within a large range by strain for the size larger than 500 μm. These findings shed light on the nature of thermal transport in two-dimensional materials and may guide predicting and engineering k of graphene by varying strain and size.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC05-00OR22725; AC02-05CH11231
OSTI ID:
1256801
Alternate ID(s):
OSTI ID: 1328541
Journal Information:
International Journal of Heat and Mass Transfer, Vol. 101; ISSN 0017-9310
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 68 works
Citation information provided by
Web of Science

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Anisotropic intrinsic lattice thermal conductivity of borophane from first-principles calculations journal January 2017
Enhancement of thermoelectric figure-of-merit of graphene upon BN-doping and sample length reduction journal September 2018
2D Boron Sheets: Structure, Growth, and Electronic and Thermal Transport Properties journal August 2019
Thermal Transport in Phosphorene journal February 2018
Revisiting phonon-phonon scattering in single-layer graphene journal August 2019
Thermal conductivity decomposition in two-dimensional materials: Application to graphene journal April 2017
Strain induced large enhancement of thermoelectric figure-of-merit ( ZT  ∼ 2) in transition metal dichalcogenide monolayers ZrX 2 (X = S, Se, Te) journal December 2019
Accelerating evaluation of converged lattice thermal conductivity text January 2018
Thermal transport properties of GaN with biaxial strain and electron-phonon coupling journal January 2020
Colloquium : Phononic thermal properties of two-dimensional materials journal November 2018
Length-dependent lattice thermal conductivity of single-layer and multilayer hexagonal boron nitride: A first-principles study using the Callaway-Klemens and real-space supercell methods journal November 2017
Mechanism of large tunable thermal transport in graphene with oxygen functional groups journal November 2018
Strain-modulated mechanical, electronic, and thermal transport properties of two-dimensional PdS2 from first-principles investigations journal December 2018
Effects of biaxial tensile strain on the first-principles-driven thermal conductivity of buckled arsenene and phosphorene journal January 2018
Accelerating evaluation of converged lattice thermal conductivity journal January 2018
Enhancement of thermoelectric figure-of-merit of Graphene upon BN-doping and sample length reduction text January 2018
A revisit to phonon-phonon scattering in single-layer graphene text January 2019
Thermal Conductivity of Two Types of 2D Carbon Allotropes: a Molecular Dynamics Study journal January 2019