In-plane and cross-plane thermal conductivities of molybdenum disulfide

Nanotechnology

Volumn 26, Issue 6, 2015, Pages

  Ding, Zhiwei ^a   Jiang, Jin Wu ^b   Pei, Qing Xiang ^a   Zhang, Yong Wei ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^b SHANGHAI UNIVERSITY   (China)

Author keywords

molecular dynamics; molybdenum disulfide; thermal conductivity

Indexed keywords

LAYERED SEMICONDUCTORS; MOLECULAR DYNAMICS; MOLYBDENUM COMPOUNDS; MULTILAYERS; PHONONS; SULFUR COMPOUNDS; TENSILE STRAIN;

COMPRESSIVE STRAIN; INTERLAYER INTERACTIONS; MOLYBDENUM DISULFIDE; NON EQUILIBRIUM MOLECULAR DYNAMIC (NEMD); NUMBER OF LAYERS; PHONON-PHONON SCATTERING; THERMAL TRANSPORT; THERMOELECTRIC APPLICATION;

THERMAL CONDUCTIVITY;

EID: 84921691387     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/26/6/065703     Document Type: Article

References (49)

1. Eda G, Yamaguchi H, Voiry D, Fujita T, Chen M and Chhowalla M 2011 Photoluminescence from chemically exfoliated MoS2 Nano Lett. 11 5111-6
2. Splendiani A, Sun L, Zhang Y, Li T, Kim J, Chim C Y, Galli G and Wang F 2010 Emerging photoluminescence in monolayer MoS2 Nano Lett. 10 1271-5
3. Bertolazzi S, Brivio J and Kis A 2011 Stretching and breaking of ultrathin MoS2 ACS Nano 5 9703-9
4. Castellanos Gomez A, Poot M, Steele G A, van der Zant H S, Agrait N and Rubio-Bollinger G 2012 Elastic properties of freely suspended MoS2 nanosheets Adv. Mater. 24 772-5
5. Jiang J W, Qi Z, Park H S and Rabczuk T 2013 Elastic bending modulus of single-layer molybdenum disulfide (MoS2): finite thickness effect Nanotechnology 24 435705
6. Radisavljevic B, Radenovic A, Brivio J, Giacometti V and Kis A 2011 Single-layer MoS2 transistors Nat. Nanotechnology 6 147-50
7. Pu J, Yomogida Y, Liu K K, Li L J, Iwasa Y and Takenobu T 2012 Highly flexible MoS2 thin-film transistors with ion gel dielectrics Nano Lett. 12 4013-7
8. Yin Z, Li H, Li H, Jiang L, Shi Y, Sun Y, Lu G, Zhang Q, Chen X and Zhang H 2011 Single-layer MoS2 phototransistors ACS Nano 6 74-80
9. Choi W, Cho M Y, Konar A, Lee J H, Cha G B, Hong S C, Kim S, Kim J, Jena D and Joo J 2012 High-detectivity multilayer MoS(2) phototransistors with spectral response from ultraviolet to infrared Adv. Mater. 24 5832-6
10. Lee H S, Min S W, Chang Y G, Park M K, Nam T, Kim H, Kim J H, Ryu S and Im S 2012 MoS2 nanosheet phototransistors with thickness-modulated optical energy gap Nano Lett. 12 3695-700
11. Buscema M, Barkelid M, Zwiller V, van der Zant H S, Steele G A and Castellanos-Gomez A 2013 Large and tunable photothermoelectric effect in single-layer MoS2 Nano Lett. 13 358-63
12. Ng T Y, Yeo J J and Liu Z S 2012 A molecular dynamics study of the thermal conductivity of graphene nanoribbons containing dispersed Stone-Thrower-Wales defects Carbon 50 4887-93
13. Lindsay L, Broido D A and Mingo N 2011 Flexural phonons and thermal transport in multilayer graphene and graphite Phys. Rev. B 83 235428
14. Nika D, Pokatilov E, Askerov A and Balandin A 2009 Phonon thermal conduction in graphene: role of Umklapp and edge roughness scattering Phys. Rev. B 79 235428
15. Pei Q X, Zhang Y W and Shenoy V B 2010 A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene Carbon 48 898-904
16. Pei Q X, Sha Z D and Zhang Y W 2011 A theoretical analysis of the thermal conductivity of hydrogenated graphene Carbon 49 4752-9
17. Singh D, Murthy J Y and Fisher T S 2011 Mechanism of thermal conductivity reduction in few-layer graphene J. Appl. Phys. 110 044317
18. Singh D, Murthy J Y and Fisher T S 2011 Spectral phonon conduction and dominant scattering pathways in graphene J. Appl. Phys. 110 094312
19. Wei N, Xu L, Wang H Q and Zheng J C 2011 Strain engineering of thermal conductivity in graphene sheets and nanoribbons: a demonstration of magic flexibility Nanotechnology 22 105705
20. Ong Z Y and Pop E 2011 Effect of substrate modes on thermal transport in supported graphene Phys. Rev. B 84 235428
21. Huang W, Pei Q X, Liu Z and Zhang Y W 2012 Thermal conductivity of fluorinated graphene: a non-equilibrium molecular dynamics study Chem. Phys. Lett. 552 97-101
22. Ghosh S, Bao W, Nika D L, Subrina S, Pokatilov E P, Lau C N and Balandin A A 2010 Dimensional crossover of thermal transport in few-layer graphene Nat. Mater. 9 555-8
23. Siemens M E, Li Q, Yang R, Nelson K A, Anderson E H, Murnane M M and Kapteyn H C 2010 Quasi-ballistic thermal transport from nanoscale interfaces observed using ultrafast coherent soft x-ray beams Nat. Mater. 9 26-30
24. Yeo J J, Ng T Y and Liu Z S 2014 Molecular dynamics analysis of the thermal conductivity of graphene and silicene monolayers of different lengths J. Comput. Theor. Nanosci. 11 1790-6
25. Wei Z, Ni Z, Bi K, Chen M and Chen Y 2011 In-plane lattice thermal conductivities of multilayer graphene films Carbon 49 2653-8
26. Jiang J W, Wang J S and Li B 2009 Thermal conductance of graphene and dimerite Phys. Rev. B 79 205418
27. Hu M and Poulikakos D 2013 Graphene mediated thermal resistance reduction at strongly coupled interfaces Int. J. Heat Mass Transfer 62 205-13
28. Shahil K M and Balandin A A 2012 Graphene-multilayer graphene nanocomposites as highly efficient thermal interface materials Nano Lett. 12 861-7
29. Cai Y, Lan J, Zhang G and Zhang Y W 2014 Lattice vibrational modes and phonon thermal conductivity of monolayer MoS Phys. Rev. B 89 035438
30. Jo I, Pettes M T, Ou E, Wu W and Shi L 2014 Basal-plane thermal conductivity of few-layer molybdenum disulfide Appl. Phys. Lett. 104 201902
31. Liu X, Zhang G, Pei Q X and Zhang Y W 2013 Phonon thermal conductivity of monolayer MoS2 sheet and nanoribbons Appl. Phys. Lett. 103 133113
32. Wei X, Wang Y, Shen Y, Xie G, Xiao H, Zhong J and Zhang G 2014 Phonon thermal conductivity of monolayer MoS2: a comparison with single layer graphene Appl. Phys. Lett. 105 103902
33. Plimpton S 1995 Fast parallel algorithms for short-range molecular dynamics J. Comput. Phys. 117 1-19
34. Jiang J W, Park H S and Rabczuk T 2013 Molecular dynamics simulations of single-layer molybdenum disulphide (MoS2): Stillinger-Weber parametrization, mechanical properties, and thermal conductivity J. Appl. Phys. 114 064307
35. Rappé A K, Casewit C J, Colwell K S, Goddard Iii W A and Skiff W M 1992 UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations J. Am. Chem. Soc. 114 10024-35
36. Tao P, Guo H H, Yang T and Zhang Z D 2014 Stacking stability of MoS2 bilayer: an ab initio study Chin. Phys. B 23 106801
37. Schelling P K, Phillpot S R and Keblinski P 2002 Comparison of atomic-level simulation methods for computing thermal conductivity Phys. Rev. B 65 144306
38. Wang Y, Vallabhaneni A K, Qiu B and Ruan X L 2014 Two-dimensional thermal transport in graphene: a review of numerical modeling studies Nanosc. Microsc. Therm. 18 155-82
39. Hu M and Poulikakos D 2012 Si/Ge superlattice nanowires with ultralow thermal conductivity Nano Lett. 12 5487-94
40. Pei Q X, Zhang Y W, Sha Z D and Shenoy V B 2013 Tuning the thermal conductivity of silicene with tensile strain and isotopic doping: a molecular dynamics study J. Appl. Phys. 114 033526
41. Yan R, Simpson J R, Bertolazzi S, Brivio J, Watson M, Wu X, Kis A, Luo T, Walker A R H and Xing H G 2014 Thermal conductivity of monolayer molybdenum disulfide obtained from temperature-dependent Raman spectroscopy ACS Nano 8 986-93
42. Jiang J W, Park H S and Rabczuk T 2014 MoS2 nanoresonators: intrinsically better than graphene? Nanoscale 6 3618
43. Stuart S J, Tutein A B and Harrison J A 2000 A reactive potential for hydrocarbons with intermolecular interactions J. Chem. Phys. 112 6472
44. Jiang J W, Zhuang X and Rabczuk T 2013 Orientation dependent thermal conductance in single-layer MoS2 Sci. Rep. 3 2209
45. Chen J, Walther J H and Koumoutsakos P 2014 Strain engineering of Kapitza resistance in few-layer graphene Nano Lett. 14 819-25
46. Bhowmick S and Shenoy V B 2006 Effect of strain on the thermal conductivity of solids J. Chem. Phys. 125 164513
47. Picu R C, Borca Tasciuc T and Pavel M C 2003 Strain and size effects on heat transport in nanostructures J. Appl. Phys. 93 3535
48. Li X, Maute K, Dunn M L and Yang R 2010 Strain effects on the thermal conductivity of nanostructures Phys. Rev. B 81 245318
49. Xu Z and Buehler M J 2009 Strain controlled thermomutability of single-walled carbon nanotubes Nanotechnology 20 185701