A bond-order theory on the phonon scattering by vacancies in two-dimensional materials

Scientific Reports

Volumn 4, Issue , 2014, Pages

  Xie, Guofeng ^a   Shen, Yulu ^a   Wei, Xiaolin ^a   Yang, Liwen ^a   Xiao, Huaping ^a   Zhong, Jianxin ^a   Zhang, Gang ^b  

^a XIANGTAN UNIVERSITY   (China)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84901719704     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep05085     Document Type: Article

References (54)

1. Dubi, Y. & Ventra, M. D.Heat flow and thermoelectricityinatomic andmolecular junctions. Rev. Mod. Phys. 83, 131-155 (2011).
2. Yang, N., Xu, X. F., Zhang, G. & Li, B. W. Thermal transport in nanostructures. AIP Advances. 2, 041410 (2012).
3. Liu, S., Xu, X.F., Xie, R. G., Zhang, G. & Li, B. W.Anomalous heat conduction and anomalous diffusion in low dimensional nanoscale systems. Eur. Phys. J. B 85, 337 (2012).
4. Freedman, J. P., Leach, J. H., Preble, E. A., Sitar, Z., Davis, R. F. & Malen, J. A. Universal phonon mean free path spectra in crystalline semiconductors at high temperature. Sci. Rep. 3, 2963 (2013).
5. Balandin, A. A. Thermal properties of graphene and nanostructured carbon materials. Nature. Mater. 10, 569-581 (2011).
6. Sadeghi, M. M., Pettes, M. T. & Shi, L. Thermal transport in graphene. Solid State Commun. 152, 1321-1330 (2012).
7. Pop, E., Varshney, V. & Roy, A.K. Thermal propertiesofgraphene: Fundamentals and applications. MRS Bull. 37, 1273-1281 (2012).
8. Shahil, K. M. F. & Balandin, A. A. Thermal properties of graphene and multilayer graphene: Applications in thermal interface materials. Solid State Commun. 152, 1331-1340 (2012).
9. Li, N. et al. Colloquium: Phononics: Manipulating heat flow with electronic analogs and beyond. Rev. Mod. Phys. 84, 1045-1066 (2012).
10. Yang, N., Zhang, G. & Li, B. Thermal rectification in asymmetric graphene ribbons. Appl. Phys. Lett. 95, 033107 (2009).
11. Hu, J., Ruan, X. & Chen, Y. P. Thermal Conductivity and Thermal Rectification in Graphene Nanoribbons: A Molecular Dynamics Study. Nano Lett. 9, 2730-2735 (2009).
12. Zhang, G. & Zhang, H. Thermal conduction and rectification in few-layer graphene Y Junctions. Nanoscale. 3, 4604-4607 (2011).
13. Sevincli, H., Sevik, C., Cagin, T. & Cuniberti, G. A bottom-up route to enhance thermoelectric figures of merit in graphene nanoribbons. Sci. Rep. 3, 1228 (2013).
14. Chen, X. B., Tian, F. Y., Persson, C., Duan, W. H. & Chen, N.-X. Interlayer interactions in graphites. Sci. Rep. 3, 3046 (2013).
15. Mu, X., Wu, X. F., Zhang, T., Go, D. B. & Luo, T. F. Thermal Transport in Graphene Oxide-From Ballistic Extreme to Amorphous Limit. Sci. Rep. 4, 3909 (2014).
16. Tian, H. et al. A novel solid-state thermal rectifier based on reduced graphene oxide. Sci. Rep. 2, 523 (2012).
17. 2 sheet and nanoribbons. Appl. Phys. Lett. 103, 133113 (2013).
18. 2 from first principles. Appl. Phys. Lett. 103, 253103 (2013).
19. 2. Physical Review B 89, 035438 (2014).
20. Sun, C. Q. Relaxation of the Chemical Bond. Vol. 108 Springer Series in Chemical Physics 795. (Berlin: Springer press, 2014).
21. Zhang, G. & Li, B. W.Impacts ofdopingonthermal and thermoelectric properties of nanomaterials. NanoScale. 2, 1058-1068 (2010).
22. Zhang, H., Lee, G. & Cho, K. Thermal transportin graphene and effectsofvacancy defects. Phys. Rev. B 84, 115460 (2011).
23. Yamamoto, T. & Watanabe, K. Nonequilibrium Green's Function Approach to Phonon Transport in Defective Carbon Nanotubes. Phys. Rev. Lett. 96, 255503 (2006).
24. Che, J., Cagin, T., Deng, W. Q. & Goddard III, W. A. Thermal conductivity of diamond and related materials from molecular dynamics simulations. J. Chem. Phys. 13, 6888-6900 (2000). (Pubitemid 32027310)
25. Chen, K. Q. et al. Effect of defects on the thermal conductivity in a nanowire. Phys. Rev. B 72, 045422 (2005).
26. Ratsifaritana, C. A. & Klemens, P. G. Scattering of phonons by vacancies. Int. J. Thermophys. 8, 737-750 (1987).
27. Sun, C. Q. et al. Bond-order-bond-length-bond-strength (bond-OLS) correlation mechanism for the shape-and-size dependence of a nanosolid. J. Phys.: Condens. Matter 14, 7781-7795 (2002). (Pubitemid 35011100)
28. Sun, C. Q. Size dependence of nanostructures: Impact of bond order deficiency. Prog. Solid State Chem. 35, 1-159 (2007). (Pubitemid 44781442)
29. Haskins, J. et al. Control of Thermal and Electronic Transport in Defect-Engineered Graphene Nanoribbons. ACS Nano 5, 3779-3787 (2011).
30. Klemens, P. G. & Pedraza, D. F. Thermal conductivity of graphite in the basal plane. Carbon 32, 735-741(1994).
31. Klemens, P. G. Phonon scattering by oxygen vacancies in ceramics. Physica B 263-264, 102-104 (1999).
32. Yeung, T. C. A. et al. Impact of surface bond-order loss on phonon dispersion relations and thermal conductivity of cylindrical Si nanowires. Phys. Rev. B 74, 155317 (2006).
33. Yeung, T. C. A. et al. Effect of surface bond-order loss on electrical resistivity of metallic polycrystalline thin films. Phys. Rev. B 72, 155417 (2005).
34. Sun, C. Q. et al. Dimension, Strength, and Chemical and Thermal Stability of a Single C-C Bond in Carbon Nanotubes. J. Phys. Chem. B 107, 7544-7546 (2003).
35. Sun, C. Q., Li, C. M., Bai, H. L. & Jiang, E. Y. Melting point oscillation of a solid over the whole range of sizes. Nanotechnology 16, 1290-1293 (2005). (Pubitemid 40878638)
36. Klemens, P. G. The scattering of low-frequency lattice waves by static imperfections. Proc. Phys. Soc. A 68, 1113-1128 (1955).
37. Klemens, P. G. Thermal conductivity and lattice vibrational modes. Solid State Phys. 7, 1-98 (1958).
38. Zhang, G. & Zhang, Y. W. Thermal conductivity of silicon nanowires: From fundamentals to phononic engineering. Phys. Status Solidi RRL 7, 754-766 (2013).
39. Nika, D. L. & Balandin, A. A. Two-dimensional phonon transport in graphene. J. Phys.: Condens. Matter. 24, 233203 (2012).
40. Nika, D. L., Askerov, A. S. & Balandin, A. A. Anomalous Size Dependence of the Thermal Conductivity of Graphene Ribbons. Nano Lett. 12, 3238-3244 (2012).
41. Shen, Y. L. et al. Size and boundary scattering controlled contribution of spectral phonons to the thermal conductivity in graphene ribbons. J. Appl. Phys. 115, 063507 (2014).
42. Kong, B. D., Paul, S., Nardelli, M. B. & Kim, K. W. First-principles analysis of lattice thermal conductivity in monolayer and bilayer graphene. Phys. Rev. B 80, 033406 (2009).
43. Girit, C. O. et al. Graphene at the Edge: Stability and Dynamics. Science 323, 1705-1708 (2009).
44. Grantab, R., Shenoy, V. B. & Ruoff, R. S. Anomalous strength characteristics of tilt grain boundaries in graphene. Science 330, 946-8 (2010).
45. Chen, S. et al. Thermal conductivity of isotopically modified graphene. Nat. Mater. 11, 203-207 (2012).
46. 3 System. Inorg. Chem. 50, 4412-4416 (2011).
47. Balandin, A. A. et al. Superior Thermal Conductivity of Single-Layer Graphene. Nano Lett. 8, 902-907 (2008).
48. Ghosh, S. et al. Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits. Appl. Phys. Lett. 92, 151911 (2008).
49. Nika, D. L., Pokatilov, E. P., Askerov, A. S. & Balandin, A. A. Phonon thermal conduction in graphene: Role of Umklapp and edge roughness scattering. Phys. Rev. B 79, 155413 (2009).
50. Lindsay, L., Broido, D. A. & Mingo, N. Flexural phonons and thermal transport in graphene. Phys. Rev. B 82, 115427 (2010).
51. Zhang, Y. Y. et al. Thermal conductivity of defective graphene. Phys. Lett. A 376, 3668-3672 (2012).
52. Munoz, E., Lu, J. & Yakobson, B. I. Ballistic Thermal Conductance of Graphene Ribbons. Nano Lett. 10, 1652-1656 (2010).
53. Kong, B. D., Paul, S., Nardelli, M. B. & Kim, K. W. First-principles analysis of lattice thermal conductivity in monolayer and bilayer graphene. Phys. Rev. B 80, 033406 (2009).
54. Seol, J. H. et al. Two-Dimensional Phonon Transport in Supported Graphene. Science 328, 213-216 (2010).