Adhesion properties of MoS<sub>2</sub>/SiO<sub>2 </sub>interface: Size and temperature effects

Duan Cong; Liu Jun-Jie; Chen Yong-Jie; Zuo Hui-Ling; Dong Jian-Sheng; Ouyang Gang

doi:10.7498/aps.73.20231648

Abstract

The interface adhesion properties are crucial for designing and fabricating two-dimensional materials and related nanoelectronic and nanomechanical devices. Although some progress of the interface adhesion properties of two-dimensional materials has been made, the underlying mechanism behind the size and temperature dependence of interface adhesion energy and related physical properties from the perspective of atomistic origin remain unclear. In this work, we investigate the effects of size and temperature on the thermal expansion coefficient and Young’s modulus of MoS₂ as well as interface adhesion energy of MoS₂/SiO₂ based on the atomic-bond-relaxation approach and continuum medium mechanics. It is found that the thermal expansion coefficient of monolayer MoS₂ is significantly larger than that of its few-layer and bulk counterparts under the condition of ambient temperature due to size effect and its influence on Debye temperature, whereas the thermal expansion coefficient increases with temperature going up and almost tends to a constant as the temperature approaches the Debye temperature. Moreover, the variations of bond identity induced by size effect and temperature effect will change the mechanical properties of MoS₂. When the temperature is fixed, the Young’s modulus of MoS₂ increases with size decreasing. However, the thermal strain induces the volume expansion, resulting in the Young’s modulus of MoS₂ decreasing. Furthermore, the size and temperature dependence of lattice strain, mismatch strain of interface, and Young’s modulus will lead the van der Waals interaction energy and elastic strain energy to change, resulting in the change of interface adhesion energy of MoS₂/SiO₂. Noticeably, the interface adhesion energy of MoS₂/SiO₂ gradually increases with MoS₂ size decreasing, while the thermal strain induced by temperature causes interface adhesion energy of MoS₂/SiO₂ to decrease with temperature increasing. In addition, we predict the conditions of the interface separation of MoS₂/SiO₂ under different sizes and temperatures. Our results demonstrate that increasing both size and temperature can significantly reduce the interface adhesion energy, which is of great benefit in detaching MoS₂ film from the substrate. Therefore, the proposed theory not only clarifies the physical mechanism regarding the interface adhesion properties of transition metal dichalcogenides (TMDs) membranes, but also provides an effective way to design TMDs-based nanodevices for desirable applications.

Keywords:

Authors and contacts

1.
Department of Physics, Jishou University, Jishou 416000, China
2.
Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, School of Physics and Electronics, Hunan Normal University, Changsha 410006, China

Corresponding author: Dong Jian-Sheng, jsdong@jsu.edu.cn ; Ouyang Gang, gangouy@hunnu.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 12364007), the Scientific Research Fund of Education Department of Hunan Province, China (Grant No. 21B0502), the National Students’ Platform for Innovation and Entrepreneurship Training Program (Grant No. 202210531007), and the Students’ Platform for Innovation and Entrepreneurship Training Program of Hunan Province, China (Grant No. S202310531036).

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References

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Cited By

图 1 (a) 附着于SiO₂衬底上的MoS₂薄膜晶格结构示意图; (b) MoS₂热膨胀系数随尺寸和温度的变化规律; MoS₂/SiO₂ (c) 界面应变和 (d) 总应变与尺寸和温度间的关系

Figure 1. (a) Schematic illustration of a multilayer MoS₂ on the SiO₂ substrate; (b) thermal expansion coefficient of MoS₂ as a function of size and temperature; dependence of (c) in-plane strain of MoS₂/SiO₂ as well as (d) the total strains in MoS₂ membranes on size and temperature.

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图 2 MoS₂薄膜的杨氏模量随尺寸和温度的变化规律

Figure 2. The Young’s modulus of MoS₂ as a function of thickness and temperature.

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图 3 MoS₂/SiO₂　(a) vdW相互作用能和(b)应变能随温度和尺寸的变化规律

Figure 3. (a) The interface vdW interaction of MoS₂/SiO₂ and (b) elastic strain energy of MoS₂ as a function of thickness and temperature.

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图 4 (a)—(f) MoS₂/SiO₂在不同尺寸和温度下总自由能与相对层间距的关系

Figure 4. (a)–(f) Relationship between the total free energy and distance of MoS₂/SiO₂ under various sizes and temperature.

DownLoad: Full-Size Img PowerPoint

图 5 MoS₂/SiO₂界面粘附能随尺寸和温度的变化规律

Figure 5. Size- and temperature-dependent interface adhesion energy in MoS₂/SiO₂ system.

DownLoad: Full-Size Img PowerPoint

map

[1]	Wang Q H, Kalantar-Zadeh K, Kis A, Coleman J N, Strano M S 2012 Nat. Nanotechnol. 7 699 Google Scholar
[2]	李耀华, 董耀勇, 董辉, 郑学军 2022 71 194601 Google Scholar Li Y H, Dong Y Y, Dong H, Zheng X J 2022 Acta Phys. Sin. 71 194601 Google Scholar
[3]	Li N, Wang Q Q, Shen C, Zheng W, Yu H, Zhao J, Lu X B, Wang G L, He C L, Xie L, Zhu J Q, Du L J, Yang R, Shi D X, Zhang G Y 2020 Nat. Electron. 3 711 Google Scholar
[4]	Duan X D, Wang C, Pan A L, Yu R Q, Duan X F 2015 Chem. Soc. Rev. 44 8859 Google Scholar
[5]	Bertolazzi S, Brivio J, Kis A 2011 ACS Nano 5 9703 Google Scholar
[6]	廖俊懿, 吴娟霞, 党春鹤, 谢黎明 2021 70 028201 Google Scholar Liao J Y, Wu J X, Dang C H, Xie L M 2021 Acta Phys. Sin. 70 028201 Google Scholar
[7]	Tao Q Y, Wu R X, Li Q Y, Kong L G, Chen Y, Jiang J Y, Lu Z Y, Li B L, Li W Y, Li Z W, Liu L T, Duan X D, Liao L, Liu Y 2021 Nat. Commun. 12 1825 Google Scholar
[8]	Song S, Sim Y, Kim S Y, Kim J H, Oh I, Na W, Lee D H, Wang J, Yan S L, Liu Y N, Kwak J, Chen J H, Cheong H, Yoo J W, Lee Z, Kwon S Y 2020 Nat. Electron. 3 207 Google Scholar
[9]	Li T T, Guo W, Ma L, Li W S, Yu Z H, Han Z, Gao S, Liu L, Fan D X, Wang Z X, Yang Y, Lin W Y, Luo Z Z, Chen X Q, Dai N X, Tu X C, Pan D F, Yao Y G, Wang P, Nie Y F, Wang J L, Shi Y, Wang X R 2021 Nat. Nanotechnol. 16 1201 Google Scholar
[10]	Chang H Y, Yang S X, Lee J H, Tao L, Hwang W S, Jena D, Lu N S, Akinwande D 2013 ACS Nano 7 5446 Google Scholar
[11]	Deng S K, Gao E L, Xu Z P, Berry V 2017 ACS Appl. Mater. Interfaces 9 7812 Google Scholar
[12]	Lloyd D, Liu X H, Boddeti N, Cantley L, Long R, Dunn M L, J. Bunch S 2017 Nano Lett. 17 5329 Google Scholar
[13]	Torres J, Zhu Y S, Liu P, Lim S C, Yun M H 2018 Phys. Status Solidi A 215 1700512 Google Scholar
[14]	Megra Y T, Suk J W 2019 J. Phys. D: Appl. Phys. 52 364002
[15]	Calis M, Lloyd D, Boddeti N, Bunch J S 2023 Nano Lett. 23 2607 Google Scholar
[16]	Ke J, Ying P H, Du Y, Zou B, Sun H R, Zhang J 2022 Phys. Chem. Chem. Phys. 24 15991 Google Scholar
[17]	Brennan C J, Nguyen J, Yu E T, Lu N S 2015 Adv. Mater. Interfaces 2 1500176 Google Scholar
[18]	Li Y, Chen P J, Liu H, Peng J, Luo N 2021 J. Appl. Phys. 129 014302 Google Scholar
[19]	Li B W, Yin J, Liu X F, Wu H R, Li J D, Li X M, Guo W L 2019 Nat. Nanotechnol. 14 567 Google Scholar
[20]	Koenig S P, Boddeti N G, Dunn M L, Bunch J S 2011 Nat. Nanotechnol. 6 543 Google Scholar
[21]	Rokni H. Lu W 2020 Nat. Commun. 11 5607 Google Scholar
[22]	Polfus J M, Muñiz M B, Ali A, Barragan-Yani D A, Vullum P E, Sunding M F, Taniguchi T, Watanabe K, Belle B D 2021 Adv. Mater. Interfaces 8 2100838 Google Scholar
[23]	Hu X, Yasaei P, Jokisaari J, Öğüt S, Khojin A S, Klie R F 2018 Phys. Rev. Lett. 120 055902 Google Scholar
[24]	Sun C Q 2007 Prog. Solid State Chem. 35 1 Google Scholar
[25]	Ouyang G, Wang C X, Yang G W 2009 Chem. Rev. 109 4221 Google Scholar
[26]	Dong J S, Zhao Y P, Ouyang G, Yang G W 2022 Appl. Phys. Lett. 120 080501 Google Scholar
[27]	He Y, Chen W F, Yu W B, Ouyang G, Yang G W 2013 Sci. Rep. 3 2660 Google Scholar
[28]	Freund L B, Nix W D 1996 Appl. Phys. Lett. 69 173 Google Scholar
[29]	Zhu Z M, Zhang A, He Y, Ouyang G, Yang G W 2012 AIP Adv. 2 042185 Google Scholar
[30]	Gu M X, Zhou Y C, Sun C Q 2008 J. Phys. Chem. B 112 7992
[31]	Liang T, Phillpot S R, Sinnott S B 2009 Phys. Rev. B 79 245110 Google Scholar
[32]	Aitken Z H, Huang R 2010 J. Appl. Phys. 107 123531 Google Scholar
[33]	Zhang L, Ouyang G 2018 J. Phys. D: Appl. Phys. 52 025302
[34]	Li T S 2012 Phys. Rev. B 85 235407 Google Scholar
[35]	Feldman J L 1976 J. Phys. Chem. Solids 37 1141 Google Scholar
[36]	Dmitriev V, Torgashev V, Toledano P, Salje E K H 1997 Europhys. Lett. 37 553 Google Scholar
[37]	Su X Y, Cui H L, Ju W W, Yong Y L, Li X H 2017 Mod. Phys. Lett. B 31 1750229
[38]	El-Mahalawy S H, Evans B L 1976 J. Appl. Crystallogr. 9 403 Google Scholar
[39]	Sevik C 2014 Phys. Rev. B 89 035422 Google Scholar
[40]	Hu Y W, Zhang F, Titze M, Deng B W, Li H B, Cheng G J 2018 Nanoscale 10 5717 Google Scholar
[41]	Zhang L N, Lu Z M, Song Y, Zhao L, Bhatia B, Bagnall K R, Wang E N 2019 Nano Lett. 19 4745 Google Scholar

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Adhesion properties of MoS₂/SiO₂interface: Size and temperature effects

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Authors and contacts

Corresponding author: Dong Jian-Sheng, jsdong@jsu.edu.cn ; Ouyang Gang, gangouy@hunnu.edu.cn

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Adhesion properties of MoS2/SiO2 interface: Size and temperature effects

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Corresponding author: Dong Jian-Sheng, jsdong@jsu.edu.cn ; Ouyang Gang, gangouy@hunnu.edu.cn

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Adhesion properties of MoS₂/SiO₂interface: Size and temperature effects