메뉴 건너뛰기




Volumn 80, Issue 1, 2014, Pages 167-173

Effect of hydrogenation on graphene thermal transport

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN EQUATION; GRAPHENE; HYDROGENATION; ISOMERS; MOLECULAR DYNAMICS;

EID: 84910154563     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2014.08.052     Document Type: Article
Times cited : (45)

References (41)
  • 1
    • 0142113806 scopus 로고    scopus 로고
    • Nanoscale thermal management
    • Balandin AA. Nanoscale thermal management. IEEE Potentials 2002;21(1): 11-5. http://dx.doi.org/10.1109/45.985321.
    • (2002) IEEE Potentials , vol.21 , Issue.1 , pp. 11-15
    • Balandin, A.A.1
  • 2
    • 79960644631 scopus 로고    scopus 로고
    • Thermal properties of graphene and nanostructured carbon materials
    • Balandin AA. Thermal properties of graphene and nanostructured carbon materials. Nat Mater 2011;10: 569-81. http://dx.doi.org/10.1038/nmat3064.
    • (2011) Nat Mater , vol.10 , pp. 569-581
    • Balandin, A.A.1
  • 3
    • 42349087225 scopus 로고    scopus 로고
    • Superior thermal conductivity of single-layer graphene
    • Balandin AA, Ghosh S, Bao W, Calizo I, Teweldebrhan D, Miao F, et al. Superior thermal conductivity of single-layer graphene. Nano Lett 2008;8(3): 902-7. http://dx.doi.org/10.1021/nl0731872.
    • (2008) Nano Lett , vol.8 , Issue.3 , pp. 902-907
    • Balandin, A.A.1    Ghosh, S.2    Bao, W.3    Calizo, I.4    Teweldebrhan, D.5    Miao, F.6
  • 4
    • 77950791436 scopus 로고    scopus 로고
    • Two-dimensional phonon transport in supported graphene
    • Seol JH, Jo I, Moore AL, Lindsay L, Aitken ZH, Pettes MT, et al. Two-dimensional phonon transport in supported graphene. Science 2010;328(5975): 213-6. http://dx.doi.org/10.1126/science.1184014.
    • (2010) Science , vol.328 , Issue.5975 , pp. 213-216
    • Seol, J.H.1    Jo, I.2    Moore, A.L.3    Lindsay, L.4    Aitken, Z.H.5    Pettes, M.T.6
  • 5
    • 84861162345 scopus 로고    scopus 로고
    • Two-dimensional phonon transport in graphene
    • Nika DL, Balandin AA. Two-dimensional phonon transport in graphene. J Phys Condens Matter 2012;24(23): 233203. http://dx.doi.org/10.1088/0953-8984/24/23/233203.
    • (2012) J Phys Condens Matter , vol.24 , Issue.23 , pp. 233203
    • Nika, D.L.1    Balandin, A.A.2
  • 6
    • 81355136100 scopus 로고    scopus 로고
    • Mechanism of thermal conductivity reduction in few-layer graphene
    • Singh D, Murthy JY, Fisher TS. Mechanism of thermal conductivity reduction in few-layer graphene. J Appl Phys 2011;110(4): 044317. http://dx.doi.org/10.1063/1.3622300.
    • (2011) J Appl Phys , vol.110 , Issue.4 , pp. 044317
    • Singh, D.1    Murthy, J.Y.2    Fisher, T.S.3
  • 7
    • 84875714201 scopus 로고    scopus 로고
    • Divergence of the thermal conductivity in uniaxially strained graphene
    • Pereira LFC, Donadio D. Divergence of the thermal conductivity in uniaxially strained graphene. Phys Rev B 2013;87: 125424-30. http://dx.doi.org/10.1103/PhysRevB.87.125424.
    • (2013) Phys Rev B , vol.87 , pp. 125424-125430
    • Pereira, L.F.C.1    Donadio, D.2
  • 8
    • 65549156874 scopus 로고    scopus 로고
    • Phonon thermal conduction in graphene: Role of umklapp and edge roughness scattering
    • Nika DL, Pokatilov EP, Askerov AS, Balandin AA. Phonon thermal conduction in graphene: Role of umklapp and edge roughness scattering. Phys Rev B 2009;79: 155413-25. http://dx.doi.org/10.1103/PhysRevB.79.155413.
    • (2009) Phys Rev B , vol.79 , pp. 155413-155425
    • Nika, D.L.1    Pokatilov, E.P.2    Askerov, A.S.3    Balandin, A.A.4
  • 9
    • 79951530620 scopus 로고    scopus 로고
    • First-principles study of heat transport properties of graphene nanoribbons
    • Tan ZW, Wang J-S, Gan CK. First-principles study of heat transport properties of graphene nanoribbons. Nano Lett 2011;11(1): 214-9. http://dx.doi.org/10.1021/nl103508m .
    • (2011) Nano Lett , vol.11 , Issue.1 , pp. 214-219
    • Tan, Z.W.1    Wang, J.-S.2    Gan, C.K.3
  • 10
    • 68949143372 scopus 로고    scopus 로고
    • First-principles analysis of lattice thermal conductivity in monolayer and bilayer graphene
    • Kong BD, Paul S, Nardelli MB, Kim KW. First-principles analysis of lattice thermal conductivity in monolayer and bilayer graphene. Phys Rev B 2009;80: 033406-10. http://dx.doi.org/10.1103/PhysRevB.80.033406.
    • (2009) Phys Rev B , vol.80 , pp. 033406-033410
    • Kong, B.D.1    Paul, S.2    Nardelli, M.B.3    Kim, K.W.4
  • 11
    • 65949089154 scopus 로고    scopus 로고
    • Lattice thermal conductivity of graphene flakes: Comparison with bulk graphite
    • Nika DL, Ghosh S, Pokatilov EP, Balandin AA. Lattice thermal conductivity of graphene flakes: Comparison with bulk graphite. Appl Phys Lett 2009;94(20): 203103. http://dx.doi.org/10.1063/1.3136860.
    • (2009) Appl Phys Lett , vol.94 , Issue.20 , pp. 203103
    • Nika, D.L.1    Ghosh, S.2    Pokatilov, E.P.3    Balandin, A.A.4
  • 12
    • 0036537725 scopus 로고    scopus 로고
    • Comparison of atomiclevel simulation methods for computing thermal conductivity
    • Schelling PK, Phillpot SR, Keblinski P. Comparison of atomiclevel simulation methods for computing thermal conductivity. Phys Rev B 2002;65: 144306-18. http://dx.doi.org/10.1103/PhysRevB.65.144306.
    • (2002) Phys Rev B , vol.65 , pp. 144306-144318
    • Schelling, P.K.1    Phillpot, S.R.2    Keblinski, P.3
  • 13
    • 0031559226 scopus 로고    scopus 로고
    • A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity
    • Müller-Plathe F.A simple nonequilibrium molecular dynamics method for calculating the thermal conductivity. J Chem Phys 1997;106(14): 6082-5. http://dx.doi.org/10.1063/1.473271.
    • (1997) J Chem Phys , vol.106 , Issue.14 , pp. 6082-6085
    • Müller-Plathe, F.1
  • 14
    • 80051800696 scopus 로고    scopus 로고
    • A theoretical analysis of the thermal conductivity of hydrogenated graphene
    • Pei Q-X, Sha Z-D, Zhang Y-W. A theoretical analysis of the thermal conductivity of hydrogenated graphene. Carbon 2011;49(14): 4752-9. http://dx.doi.org/10.1016/j.carbon.2011.06.083.
    • (2011) Carbon , vol.49 , Issue.14 , pp. 4752-4759
    • Pei, Q.-X.1    Sha, Z.-D.2    Zhang, Y.-W.3
  • 15
    • 79952951889 scopus 로고    scopus 로고
    • Chirality and thickness-dependent thermal conductivity of few-layer graphene: A molecular dynamics study
    • Zhong W-R, Zhang M-P, Ai B-Q, Zheng D-Q. Chirality and thickness-dependent thermal conductivity of few-layer graphene: A molecular dynamics study. Appl Phys Lett 2011;98(11): 113107. http://dx.doi.org/10.1063/1.3567415.
    • (2011) Appl Phys Lett , vol.98 , Issue.11 , pp. 113107
    • Zhong, W.-R.1    Zhang, M.-P.2    Ai, B.-Q.3    Zheng, D.-Q.4
  • 16
    • 80053607067 scopus 로고    scopus 로고
    • Thermal transport in graphene and effects of vacancy defects
    • Zhang H, Lee G, Cho K. Thermal transport in graphene and effects of vacancy defects. Phys Rev B 2011;84: 115460-5. http://dx.doi.org/10.1103/PhysRevB.84.115460.
    • (2011) Phys Rev B , vol.84 , pp. 115460-115465
    • Zhang, H.1    Lee, G.2    Cho, K.3
  • 18
    • 59149091893 scopus 로고    scopus 로고
    • Control of graphene's properties by reversible hydrogenation: Evidence for graphane
    • Elias DC, Nair RR, Mohiuddin TMG, Morozov SV, Blake P, Halsall MP, et al. Control of graphene's properties by reversible hydrogenation: Evidence for graphane. Science 2009;323(5914): 610-3. http://dx.doi.org/10.1126/science.1167130.
    • (2009) Science , vol.323 , Issue.5914 , pp. 610-613
    • Elias, D.C.1    Nair, R.R.2    Mohiuddin, T.M.G.3    Morozov, S.V.4    Blake, P.5    Halsall, M.P.6
  • 19
    • 78650887851 scopus 로고    scopus 로고
    • Elastic properties of hydrogenated graphene
    • Cadelano E, Palla PL, Giordano S, Colombo L. Elastic properties of hydrogenated graphene. Phys Rev B 2010;82: 235414-22. http://dx.doi.org/10.1103/PhysRevB.82.235414.
    • (2010) Phys Rev B , vol.82 , pp. 235414-235422
    • Cadelano, E.1    Palla, P.L.2    Giordano, S.3    Colombo, L.4
  • 20
    • 0141788281 scopus 로고    scopus 로고
    • Cluster expansion method for adsorption: Application to hydrogen chemisorption on graphene
    • Sluiter MHF, Kawazoe Y. Cluster expansion method for adsorption: Application to hydrogen chemisorption on graphene. Phys Rev B 2003;68: 085410-7. http://dx.doi.org/10.1103/PhysRevB.68.085410.
    • (2003) Phys Rev B , vol.68 , pp. 085410-095417
    • Sluiter, M.H.F.1    Kawazoe, Y.2
  • 21
    • 84880778302 scopus 로고    scopus 로고
    • Thermal conductivity from approach-to-equilibrium molecular dynamics
    • Lampin E, Palla PL, Francioso P-A, Cleri F. Thermal conductivity from approach-to-equilibrium molecular dynamics. J Appl Phys 2013;114(3): 033525. http://dx.doi.org/10.1063/1.4815945.
    • (2013) J Appl Phys , vol.114 , Issue.3 , pp. 033525
    • Lampin, E.1    Palla, P.L.2    Francioso, P.-A.3    Cleri, F.4
  • 22
    • 84904790601 scopus 로고    scopus 로고
    • Calculating thermal conductivity in a transient conduction regime: Theory and implementation
    • Melis C, Dettori R, Vandermeulen S, Colombo L. Calculating thermal conductivity in a transient conduction regime: Theory and implementation. Eur Phys J B 2014;87(4): 96. http://dx.doi.org/10.1140/epjb/e2014-50119-0.
    • (2014) Eur Phys J B , vol.87 , Issue.4 , pp. 96
    • Melis, C.1    Dettori, R.2    Vandermeulen, S.3    Colombo, L.4
  • 23
    • 64849086530 scopus 로고    scopus 로고
    • Singular behavior of the debye-waller factor of graphene
    • Tewary VK, Yang B. Singular behavior of the debye-waller factor of graphene. Phys Rev B 2009;79: 125416-21. http://dx.doi.org/10.1103/PhysRevB.79.125416.
    • (2009) Phys Rev B , vol.79 , pp. 125416-125421
    • Tewary, V.K.1    Yang, B.2
  • 24
    • 84894422626 scopus 로고    scopus 로고
    • Lattice thermal conductivity of Si(1-x)Gex nanocomposites
    • Melis C, Colombo L. Lattice thermal conductivity of Si(1-x)Gex nanocomposites. Phys Rev Lett 2014;112: 065901-6. http://dx.doi.org/10.1103/PhysRevLett.112.065901.
    • (2014) Phys Rev Lett , vol.112 , pp. 065901-065906
    • Melis, C.1    Colombo, L.2
  • 25
    • 0002467378 scopus 로고
    • Fast parallel algorithms for short-range molecular dynamics
    • Plimpton S. Fast parallel algorithms for short-range molecular dynamics. J Comp Phys 1995;117(1): 1-19. http://dx.doi.org/10.1006/jcph.1995.1039.
    • (1995) J Comp Phys , vol.117 , Issue.1 , pp. 1-19
    • Plimpton, S.1
  • 26
    • 0037017208 scopus 로고    scopus 로고
    • A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
    • Brenner DW, Shenderova OA, Harrison JA, Stuart SJ, Ni B, Sinnott SB. A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons. J Phys Condens Matter 2002;14(4): 783-802. http://dx.doi.org/10.1088/0953-8984/14/4/312.
    • (2002) J Phys Condens Matter , vol.14 , Issue.4 , pp. 783-802
    • Brenner, D.W.1    Shenderova, O.A.2    Harrison, J.A.3    Stuart, S.J.4    Ni, B.5    Sinnott, S.B.6
  • 27
    • 0043283857 scopus 로고    scopus 로고
    • Theory of thermal conduction in thin ceramic films
    • Klemens P. Theory of thermal conduction in thin ceramic films. Int J Thermophys 2001;22(1): 265-75. http://dx.doi.org/10.1023/A: 1006776107140.
    • (2001) Int J Thermophys , vol.22 , Issue.1 , pp. 265-75
    • Klemens, P.1
  • 28
    • 0028045774 scopus 로고
    • Thermal conductivity of graphite in the basal plane
    • Klemens P, Pedraza D. Thermal conductivity of graphite in the basal plane. Carbon 1994;32(4): 735-41. http://dx.doi.org/10.1016/0008-6223(94)90096-5.
    • (1994) Carbon , vol.32 , Issue.4 , pp. 735-741
    • Klemens, P.1    Pedraza, D.2
  • 29
    • 84898823803 scopus 로고    scopus 로고
    • Length-dependent thermal conductivity in suspended singlelayer graphene
    • Xu X, Pereira LFC, Wang Y, Wu J, Zhang K, Zhao X, et al. Length-dependent thermal conductivity in suspended singlelayer graphene. Nat Commun 2014;5: 3689. http://dx.doi.org/10.1038/ncomms4689.
    • (2014) Nat Commun , vol.5 , pp. 3689
    • Xu, X.1    Pereira, L.F.C.2    Wang, Y.3    Wu, J.4    Zhang, K.5    Zhao, X.6
  • 30
    • 84862270656 scopus 로고    scopus 로고
    • Acoustic phonon lifetimes and thermal transport in free-standing and strained graphene
    • Bonini N, Garg J, Marzari N. Acoustic phonon lifetimes and thermal transport in free-standing and strained graphene. Nano Lett 2012;12(6): 2673-8. http://dx.doi.org/10.1021/nl202694m.
    • (2012) Nano Lett , vol.12 , Issue.6 , pp. 2673-2678
    • Bonini, N.1    Garg, J.2    Marzari, N.3
  • 31
    • 84878985911 scopus 로고    scopus 로고
    • Anharmonic properties from a generalized third-order ab initio approach: Theory and applications to graphite and graphene
    • Paulatto L, Mauri F, Lazzeri M. Anharmonic properties from a generalized third-order ab initio approach: Theory and applications to graphite and graphene. Phys Rev B 2013;87: 214303-11. http://dx.doi.org/10.1103/PhysRevB.87.214303.
    • (2013) Phys Rev B , vol.87 , pp. 214303-21411
    • Paulatto, L.1    Mauri, F.2    Lazzeri, M.3
  • 32
    • 84899748902 scopus 로고    scopus 로고
    • Phonon thermal transport in strained and unstrained graphene from first principles
    • Lindsay L, Li W, Carrete J, Mingo N, Broido DA, Reinecke TL. Phonon thermal transport in strained and unstrained graphene from first principles. Phys Rev B 2014;89: 155426-34. http://dx.doi.org/10.1103/PhysRevB.89.155426.
    • (2014) Phys Rev B , vol.89 , pp. 155426-155434
    • Lindsay, L.1    Li, W.2    Carrete, J.3    Mingo, N.4    Broido, D.A.5    Reinecke, T.L.6
  • 33
    • 79961189918 scopus 로고    scopus 로고
    • Flexural phonons and thermal transport in multilayer graphene and graphite
    • Lindsay L, Broido DA, Mingo N. Flexural phonons and thermal transport in multilayer graphene and graphite. Phys Rev B 2011;83: 235428-33. http://dx.doi.org/10.1103/PhysRevB.83.235428.
    • (2011) Phys Rev B , vol.83 , pp. 235428-235433
    • Lindsay, L.1    Broido, D.A.2    Mingo, N.3
  • 34
    • 81355136100 scopus 로고    scopus 로고
    • On the accuracy of classical and long wavelength approximations for phonon transport in graphene
    • Singh D, Murthy JY, Fisher TS. On the accuracy of classical and long wavelength approximations for phonon transport in graphene. J Appl Phys 2011;110(11): 13510. http://dx.doi.org/10.1063/1.3665226.
    • (2011) J Appl Phys , vol.110 , Issue.11 , pp. 13510
    • Singh, D.1    Murthy, J.Y.2    Fisher, T.S.3
  • 35
    • 81355136100 scopus 로고    scopus 로고
    • Mechanism of thermal conductivity reduction in few-layer graphene
    • Singh D, Murthy JY, Fisher TS. Mechanism of thermal conductivity reduction in few-layer graphene. J Appl Phys 2011;110(4): 044317. http://dx.doi.org/10.1063/1.3622300.
    • (2011) J Appl Phys , vol.110 , Issue.4 , pp. 044317
    • Singh, D.1    Murthy, J.Y.2    Fisher, T.S.3
  • 36
    • 80052407674 scopus 로고    scopus 로고
    • Effect of substrate modes on thermal transport in supported graphene
    • Ong Z-Y, Pop E. Effect of substrate modes on thermal transport in supported graphene. Phys Rev B 2011;84: 075471-8. http://dx.doi.org/10.1103/PhysRevB.84.075471.
    • (2011) Phys Rev B , vol.84 , pp. 075471-075478
    • Ong, Z.-Y.1    Pop, E.2
  • 37
    • 78649721720 scopus 로고    scopus 로고
    • Optimized tersoff and brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene
    • Lindsay L, Broido DA. Optimized tersoff and brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene. Phys Rev B 2010;81: 205441-7. http://dx.doi.org/10.1103/PhysRevB.81.205441.
    • (2010) Phys Rev B , vol.81 , pp. 205441-205447
    • Lindsay, L.1    Broido, D.A.2
  • 38
    • 42349113188 scopus 로고    scopus 로고
    • Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits
    • Ghosh S, Calizo I, Teweldebrhan D, Pokatilov EP, Nika DL, Balandin AA, et al. Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits. Appl Phys Lett 2008;92(15): 151911. http://dx.doi.org/10.1063/1.2907977.
    • (2008) Appl Phys Lett , vol.92 , Issue.15 , pp. 151911
    • Ghosh, S.1    Calizo, I.2    Teweldebrhan, D.3    Pokatilov, E.P.4    Nika, D.L.5    Balandin, A.A.6
  • 39
    • 33747595437 scopus 로고    scopus 로고
    • Practical greens function approach to the simulation of elastic semi-infinite solids
    • CampañáC, Müser MH. Practical greens function approach to the simulation of elastic semi-infinite solids. Phys Rev B 2006;74: 075420-35. http://dx.doi.org/10.1103/PhysRevB.74.075420.
    • (2006) Phys Rev B , vol.74 , pp. 075420-075435
    • Campañá, C.1    Müser, M.H.2
  • 40
    • 67349132242 scopus 로고    scopus 로고
    • Implementation of green's function molecular dynamics: An extension to LAMMPS
    • Kong LT, Bartels G, CampañáC, Denniston C, Müser MH. Implementation of green's function molecular dynamics: An extension to LAMMPS. Comp Phys Commun 2009;180(6): 1004-10. http://dx.doi.org/10.1016/j.cpc.2008.12.035.
    • (2009) Comp Phys Commun , vol.180 , Issue.6 , pp. 1004-1010
    • Kong, L.T.1    Bartels, G.2    Campañá, C.3    Denniston, C.4    Müser, M.H.5
  • 41
    • 84862098769 scopus 로고    scopus 로고
    • Reduction of spectral phonon relaxation times from suspended to supported graphene
    • Qiu B, Ruan X. Reduction of spectral phonon relaxation times from suspended to supported graphene. Appl Phys Lett 2012;100(19): 193101. http://dx.doi.org/10.1063/1.4712041.
    • (2012) Appl Phys Lett , vol.100 , Issue.19 , pp. 193101
    • Qiu, B.1    Ruan, X.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.