化工新型材料

化工新型材料 ›› 2022, Vol. 50 ›› Issue (12) : 38-45. DOI: 10.19817/j.cnki.issn1006-3536.2022.12.008

综述与专论

二维层状二硫化钼和二硫化锡的热输运特性研究进展

作者信息 +

Research progress on the thermal transport properties of two-dimensional MoS₂ and SnS₂

Zhong Jianbin, Liu Yuanchao, Zhang Haoyu, Shao Ke, Guan Bin, Zhao Tingting, Li Zishuo

Author information +

文章历史 +

Received		Published
2021-06-20		2022-12-20
Issue Date	Revised Date
2022-12-30	2021-06-20

PDF

摘要

二维层状二硫化钼和二硫化锡作为典型的类石墨烯材料,具有独特的热物理性质,在微电子器件领域有广泛的应用前景。综述了二硫化钼、二硫化锡及其声子热输运机理,分别从实验研究、经典分子动力学模拟和第一性原理计算的角度,阐述了目前二维层状二硫化钼与二硫化锡热输运性质方面的研究进展。最后,针对目前二硫化钼和二硫化锡的热输运研究中尚未有统一和明确的结论,提出并展望ShengBTE计算方法在类石墨烯材料热输运研究领域的应用。

Abstract

As typical graphene-like materials,two-dimensional layered MoS₂ and SnS₂ have broad application prospects in the field of microelectronic devices due to their unique thermophysical properties.From the perspectives of experimental research,classical molecular dynamics simulation and first-principles calculations,this article reviewed the phonon thermal transport mechanisms of MoS₂ and SnS₂,and described the current research progress on the thermal transport properties of two-dimensional layered MoS₂ and SnS₂.Finally,without unified and clear conclusion on the current thermal transport research of MoS₂ and SnS₂,the application of ShengBTE calculation method in the field of graphene-like materials thermal transport research was proposed and prospected.

关键词

二硫化钼 / 二硫化锡 / 声子 / 热输运性质 / ShengBTE

Key words

MoS₂ / SnS₂ / phonon / thermal transport property / ShengBTE

引用本文

引用格式 ▾

二维层状二硫化钼和二硫化锡的热输运特性研究进展[J]. 化工新型材料, 2022, 50(12): 38-45 DOI:10.19817/j.cnki.issn1006-3536.2022.12.008

登录浏览全文

4963

注册一个新账户忘记密码

参考文献

原文顺序 | 出版日期 | 本文引用

[1] Novoselov K S,Geim A K,Morozov S V,et al.Electric field effect in atomically thin carbon films[J].Science,2004,306:666.
[2] Hafeez M,Gan L,Li H,et al.Large-area bilayer ReS₂ film/multilayer ReS₂ flakes synthesized by chemical vapor deposition for high performance photodetectors[J].Advanced Functional Materials,2016,26(25):4551-4560.
[3] Sahoo S,Gaur A P,Ahmadi M,et al.Temperature-dependent Raman studies and thermal conductivity of few-layer MoS₂[J].The Journal of Physical Chemistry C,2013,117(17):9042-9047.
[4] Aiyiti A,Bai X,Wu J,et al.Measuring the thermal conductivity and interfacial thermal resistance of suspended MoS₂ using electron beam self-heating technique[J].Science Bulletin,2018,63(7):452-458.
[5] Yang X,Yang Y,Fu L,et al.An ultrathin flexible 2D membrane based on single-walled nanotube-MoS₂ hybrid film for high-performance solar steam generation[J].Advanced Functional Materials,2018,28(3):1704505.
[6] Jiang P,Qian X,Gu X,et al.Probing anisotropic thermal conductivity of transition metal dichalcogenides MX₂ (M=Mo,W and X=S,Se) using time-domain thermoreflectance[J].Advanced Materials,2017,29(36):1701068.
[7] Eda G,Yamaguchi H,Voiry D,et al.Photoluminescence from chemically exfoliated MoS₂[J].Nano letters,2011,11(12):5111-5116.
[8] Bollinger M,Jacobsen K W,Nørskov J K.Atomic and electronic structure of MoS₂ nanoparticles[J].Physical Review B,2003,67(8):085410.
[9] Radisavljevic B,Radenovic A,Brivio J,et al.Single-layer MoS₂transistors[J].Nature.Nanotechnology,2011,6(3):147-150.
[10] Muratore C,Varshney V,Gengler J J,et al.Cross-plane thermal properties of transition metal dichalcogenides[J].Applied Physics Letters,2013,102(8):081604.
[11] Jo I,Pettes M T,Ou E,et al.Basal-plane thermal conductivity of few-layer molybdenum disulfide[J].Appl Applied Physics Letters,2014,104:201902.
[12] Liu J,Choi G M,Cahill D G.Measurement of the anisotropic thermal conductivity of molybdenum disulfide by the time-resolved magneto-optic Kerr effect[J].Journal of Applied Physics,2014,116(23):233107.
[13] Yan R,Simpson J R,Bertolazzi S,et al.Thermal conductivity of monolayer molybdenum disulfide obtained from temperature-dependent raman spectroscopy[J].ACS Nano,2014,8:986.
[14] Zhang X,Sun D,Li Y,et al.Measurement of lateral and interfacial thermal conductivity of single- and bilayer MoS₂ and MoSe₂using refined optothermal raman technique[J].ACS Applied Materials & Interfaces,2015,7(46):25923-25929.
[15] Zhu G,Liu J,Zheng Q,et al.Tuning thermal conductivity in molybdenum disulfide by electrochemical intercalation[J].Nature Communications,2016,7(1):1-9.
[16] Bae J J,Jeong H Y,Han K H,et al.Thickness-dependent in-plane thermal conductivity of suspended MoS₂ grown by chemical vapor deposition[J].Nanoscale,2017,9:2541.
[17] Sood A,Xiong F,Chen S,et al.Quasi-ballistic thermal transport across MoS₂ thin films[J].Nano Letters,2019,19(4):2434-2442.
[18] Zhao Y,Zheng M,Wu J,et al.Studying thermal transport in suspended monolayer molybdenum disulfide prepared by a nano-manipulator-assisted transfer method[J].Nanotechnology,2020,31(22):225702.
[19] Yu Y,Minhaj T,Huang L,et al.In-plane and interfacial thermal conduction of two-dimensional transition-metal dichalcogenides[J].Physical Review Applied,2020,13(3):034059.
[20] Busch G,Fröhlich C,Hulliger F,et al.Structure,electrical and thermoelectrical properties of SnSe₂[J].Helv Phys Acta,1961,34(9):359.
[21] Williams R H,Murray R B,Govan D W,et al.Band structure and photoemission studies of SnS₂ and SnSe₂ Ⅰ.experimental[J].Journal of Physics C:Solid State Physics,1973,6(24):3631-3642.
[22] Khélia C,Maiz F,Mnari M,et al.Structural,optical and thermal properties of β-SnS₂ thin films prepared by the spray pyrolysis[J].The European Physical Journal Applied Physics,2000,9(3):187-193.
[23] De D,Manongdo J,See S,et al.High on/off ratio field effect transistors based on exfoliated crystalline SnS₂ nano-membranes[J].Nanotechnology,2012,24(2):025202.
[24] Lee M J,Ahn J H,Sung J H,et al.Thermoelectric materials by using two-dimensional materials with negative correlation between electrical and thermal conductivity[J].Nature Communications,2016,7(1):12011.
[25] Shin H S,Jeon S G,Yu J,et al.Twin-driven thermoelectric figure-of-merit enhancement of Bi₂Te₃ nanowires[J].Nanoscale,2014,6(11):6158-6165.
[26] Kuc A,Heine T.The electronic structure calculations of two-dimensional transition-metal dichalcogenides in the presence of external electric and magnetic fields[J].Chemical Society Reviews,2015,44(9):2603-2614.
[27] Plimpton S.Fast parallel algorithms for short-range molecular dynamics[J].Journal of Computational Physics,1995,117(1):1-19.
[28] Liu X,Zhang G,Pei Q X,et al.Phonon thermal conductivity of monolayer MoS₂ sheet and nanoribbons[J].Applied Physics Letters,2013,103(13):133113.
[29] Muratore C,Varshney V,Gengler J J,et al.Thermal anisotropy in nano-crystalline MoS₂ thin films[J].Physical Chemistry Chemical Physics,2014,16(3):1008-1014.
[30] Zhang Z,Xie Y,Peng Q,et al.Thermal transport in MoS₂/graphene hybrid nanosheets[J].Nanotechnology,2015,26(37):375402.
[31] Wei Z,Liu B,Liu C,et al.Cross-plane phonon transport properties of molybdenum disulphide[J].Journal of Physics D:Applied Physics,2015,48(46):465303.
[32] Kandemir A,Yapicioglu H,Kinaci A,et al.Thermal transport properties of MoS₂ and MoSe₂ monolayers[J].Nanotechnology,2016,27(5):055703.
[33] Wang X,Tabarraei A.Phonon thermal conductivity of monolayer MoS₂[J].Applied Physics Letters,2016,108(19):191905.
[34] Jiang J W,Park H S,Rabczuk T.Molecular dynamics simulations of single-layer molybdenum disulphide (MoS₂):stillinger-Weber parametrization,mechanical properties,and thermal conductivity[J].Journal of Applied Physics,2013,114(6):064307.
[35] Wang Y,Zhang K,Xie G.Remarkable suppression of thermal conductivity by point defects in MoS₂ nanoribbons[J].Applied Surface Science,2016,360:107-112.
[36] Zhang J,Hong Y,Wang X,et al.Phonon thermal properties of transition-metal dichalcogenides MoS₂ and MoSe₂heterostructure[J].The Journal of Physical Chemistry C,2017,121(19):10336-10344.
[37] Meng H,Ma D,Yu X,et al.Thermal conductivity of molybdenum disulfide nanotube from molecular dynamics simulations[J].International Journal of Heat and Mass Transfer,2019,145:118719.
[38] Xu K,Gabourie A J,Hashemi A,et al.Thermal transport in MoS₂ from molecular dynamics using different empirical potentials[J].Physical Review B,2019,99(5):054303.
[39] Varshney V,Patnaik S S,Muratore C,et al.MD simulations of molybdenum disulphide (MoS₂):force-field parameterization and thermal transport behavior[J].Computational Materials Science,2010,48(1):101-108.
[40] 刘彪.二硫化钼薄膜导热系数的分子动力学模拟[D].南京:东南大学机械工程学院,2015.
[41] Ding Z,Jiang J W,Pei Q X,et al.In-plane and cross-plane thermal conductivities of molybdenum disulfide[J].Nanotechnology,2015,26(6):065703.
[42] Jin Z,Liao Q,Fang H,et al.A revisit to high thermoelectric performance of single-layer MoS₂[J].Scientific Reports,2015,5:18342.
[43] Hong Y,Zhang J,Zeng X C.Thermal conductivity of monolayer MoSe₂ and MoS₂[J].The Journal of Physical Chemistry C,2016,120(45):26067-26075.
[44] Kresse G,Furthmüller J.Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set[J].Physical Review B,1996,54(16):11169.
[45] Li W,Carrete J,Mingo N.Thermal conductivity and phonon linewidths of monolayer MoS₂ from first principles[J].Applied Physics Letters,2013,103(25):253103.
[46] Gu X,Li B,Yang R.Layer thickness-dependent phonon properties and thermal conductivity of MoS₂[J].Journal of Applied Physics,2016,119(8):085106.
[47] Wei X,Wang Y,Shen Y,et al.Phonon thermal conductivity of monolayer MoS₂:a comparison with single layer graphene[J].Applied Physics Letters,2014,105(10):103902.
[48] Cepellotti A,Fugallo G,Paulatto L,et al.Phonon hydrodynamics in two-dimensional materials[J].Nature Communications,2015,6:6400.
[49] Lindroth D O,Erhart P.Thermal transport in van der Waals solids from first-principles calculations[J].Physical Review B,2016,94(11):115205.
[50] Gu X,Yang R.Phonon transport in single-layer transition metal dichalcogenides:a first-principles study[J].Applied Physics Letters,2014,105(13):131903.
[51] Liu T H,Chen Y C,Pao C W,et al.Anisotropic thermal conductivity of MoS₂ nanoribbons:chirality and edge effects[J].Applied Physics Letters,2014,104(20):201909.
[52] Su J,Liu Z T,Feng L P,et al.Effect of temperature on thermal properties of monolayer MoS₂ sheet[J].Journal of Alloys and Compounds,2015,622:777-782.
[53] He X,Shen H.Ab initio calculations of band structure and thermophysical properties for SnS₂ and SnSe₂[J].Physica B:Condensed Matter,2012,407(7):1146-1152.
[54] Sun B Z,Ma Z,He C,et al.Anisotropic thermoelectric properties of layered compounds in SnX₂(X=S,Se):a promising thermoelectric material[J].Phys Chem Chem Phys,2015,17(44):29844-29853.
[55] Li W,Carrete J,Katcho N A,et al.ShengBTE:a solver of the Boltzmann transport equation for phonons[J].Computer Physics Communications,2014,185(6):1747-1758.
[56] Ouyang B,Chen S,Jing Y,et al.Enhanced thermoelectric performance of two dimensional MS₂ (M=Mo,W) through phase engineering[J].Journal of Materiomics,2018,4(4):329-337.
[57] Liu G,Wang H,Gao Z,et al.Comparative investigation of the thermal transport properties of Janus SnSSe and SnS₂ monolayers[J].Physical Chemistry Chemical Physics,2020,22(29):16796-16803.