Tunable lattice thermal conductivity of 2D MoSe2 via biaxial strain: a comparative study between the monolayer and bilayer
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OpenAlex topics: 2D Materials and Applications · Graphene research and applications · Thermal properties of materials
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References (46)
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1. S. Manzeli, D. Ovchinnikov, D. Pasquier, O.V. Yazyev, A. Kis, 2D transition metal dichalcogenides. Nat. Rev. Mater. 2, 17033 (2017). https://doi.org/10.1038/natrevmats.2017.3310.1038/natrevmats.2017.33 ↗
2. D. Jariwala, V.K. Sangwan, L.J. Lauhon, T.J. Marks, M.C. Hersam, Emerging device applications for semiconducting two-dimensional transition metal dichalcogenides. ACS Nano. 8, 1102–1120 (2014). https://doi.org/10.1021/nn500064s10.1021/nn500064s ↗
3. J. Shen, D. Han, B. Zhang, R. Cao, Y. Liu, S. Zheng, H. Li, Y. Jiang, Y. Xue, M. Xue, First-principles study on phonon transport properties of MoTe2 and WTe2 monolayers in different phases. Phys. E. 145, 115509 (2023). https://doi.org/10.1016/j.physe.2022.11550910.1016/j.physe.2022.115509 ↗
4. K.F. Mak, C. Lee, J. Hone, J. Shan, T.F. Heinz, Atomically thin MoS2: a new direct-gap semiconductor. Phys. Rev. Lett. 105, 136805 (2010). https://doi.org/10.1103/PhysRevLett.105.13680510.1103/PhysRevLett.105.136805 ↗
5. S. Kumar, U. Schwingenschlögl, Thermoelectric response of bulk and monolayer MoSe2 and WSe2. Chem. Mater. 27, 1278–1284 (2015). https://doi.org/10.1021/cm504244b10.1021/cm504244b ↗
6. C. Ruppert, B. Aslan, T.F. Heinz, Optical properties and Band Gap of single- and few-layer MoTe2 crystals. Nano Lett. 14, 6231–6236 (2014). https://doi.org/10.1021/nl502557g10.1021/nl502557g ↗
7. S. Das, J.A. Robinson, M. Dubey, H. Terrones, M. Terrones, Beyond graphene: progress in novel two-dimensional materials and Van Der Waals solids. Annu. Rev. Mater. Res. 45, 1–27 (2015). https://doi.org/10.1146/annurev-matsci-070214-02103410.1146/annurev-matsci-070214-021034 ↗
8. F. Wu, H. Tian, Y. Shen, Z. Hou, J. Ren, G. Gou, Y. Sun, Y. Yang, T. Ren, Vertical MoS2 transistors with sub-1-nm gate lengths. Nature. 603, 259–264 (2022). https://doi.org/10.1038/s41586-021-04323-310.1038/s41586-021-04323-3 ↗
9. J. Jiang, Y. Zhang, A. Wang, J. Duan, H. Ji, J. Pang, Y. Sang, X. Feng, H. Liu, L. Han, Construction of high field-effect mobility multilayer MoS2 field-effect transistors with excellent stability through interface engineering. ACS Appl. Electron. Mater. 2, 2132 (2020). https://doi.org/10.1021/acsaelm.0c0034710.1021/acsaelm.0c00347 ↗
10. A. Sebastian, R. Pendurthi, T.H. Choudhury, J.M. Redwing, S. Das, Benchmarking monolayer MoS2 and WS2 field-effect transistors. Nat. Commun. 12, 693 (2021). https://doi.org/10.1038/s41467-020-20732-w10.1038/s41467-020-20732-w ↗
11. Z. Jin, Q. Liao, H. Fang, Z. Liu, W. Liu, Z. Ding, T. Luo, N. Yang, A revisit to high thermoelectric performance of single-layer MoS2. Sci. Rep. 5, 18342 (2015). https://doi.org/10.1038/srep1834210.1038/srep18342 ↗
12. J. Zhang, S. Jia, I. Kholmanov, L. Dong, D. Er, W. Chen, H. Guo, Z. Jin, V.B. Shenoy, L. Shi, J. Lou, Janus monolayer transition-metal dichalcogenides. ACS Nano. 11, 8192–8198 (2017). https://doi.org/10.1021/acsnano.7b0318610.1021/acsnano.7b03186 ↗
13. Y. Nakanishi, S. Furusawa, Y. Sato, Y. Tanaka, Y. Yomogida, K. Yanagi, W. Zhang, H. Nakajo, S. Aoki, T. Kato, K. Suenaga, Y. Miyata, Structural diversity of single-walled transition metal dichalcogenide nanotubes grown via template reaction. Adv. Mater. 35, 2306631 (2023). https://doi.org/10.1002/adma.20230663110.1002/adma.202306631 ↗
14. J. Ma, J. Zheng, X. Zhu, P. Liu, W. Li, B. Wang, First-principles calculations of thermal transport properties in MoS2/MoSe2 bilayer heterostructure. Phys. Chem. Chem. Phys. 21, 10442–10448 (2019). https://doi.org/10.1039/C9CP01702J10.1039/C9CP01702J ↗
15. A. Eftekhari, Molybdenum diselenide (MoSe2) for energy storage, catalysis, and optoelectronics. Appl. Mater. Today. 8, 1–17 (2017). https://doi.org/10.1016/j.apmt.2017.01.00610.1016/j.apmt.2017.01.006 ↗
16. S. Tongay, J. Zhou, C. Ataca, K. Lo, T.S. Matthews, J.C. Grossman, J. Wu, Thermally driven crossover from indirect toward direct Bandgap in 2D semiconductors: MoSe2 versus MoS2. Nano Lett. 12, 5576–5580 (2012). https://doi.org/10.1021/nl302584w10.1021/nl302584w ↗
17. B. Peng, H. Zhang, H. Shao, Y. Xu, X. Zhang, H. Zhu, Thermal conductivity of monolayer MoS2, MoSe2, and WS2: interplay of mass effect, interatomic bonding and anharmonicity. RSC Adv. 6, 5767 (2016). https://doi.org/10.1039/C5RA19747C10.1039/C5RA19747C ↗
18. S. Yang, Y. Chen, C. Jiang, Strain engineering of two-dimensional materials: Methods, properties, and applications. InfoMat 2021, 3, 397 (2021). https://doi.org/10.1002/inf2.1217710.1002/inf2.12177 ↗
19. Z. Zhang, B.Y. Cao, Thermal smart materials with tunable thermal conductivity: mechanisms, materials, and applications. Sci. China Phys. Mech. 65, 117003 (2022). https://doi.org/10.1007/s11433-022-1925-210.1007/s11433-022-1925-2 ↗
20. N. Bonini, J. Garg, N. Marzari, Acoustic phonon lifetimes and thermal transport in free-standing and strained graphene. Nano Lett. 12, 6, 2673–2678 (2012). https://doi.org/10.1021/nl202694m10.1021/nl202694m ↗
21. S. Li, Y. Chen, Thermal transport and anharmonic phonons in strained monolayer hexagonal boron nitride. Sci. Rep. 7, 43956 (2017). https://doi.org/10.1038/srep4395610.1038/srep43956 ↗
22. H. Xie, T. Ouyang, É. Germaneau, G. Qin, M. Hu, H. Bao, Large tunability of lattice thermal conductivity of monolayer silicene via mechanical strain. Phys. Rev. B 93, 075404 (2016). https://doi.org/10.1103/PhysRevB.93.07540410.1103/PhysRevB.93.075404 ↗
23. W. Li, W. Hou, Effective modulation of lattice thermal conductivity in monolayer AlP3 by biaxial strain and external electric field. J. Appl. Phys. 134, 055104 (2023). https://doi.org/10.1063/5.015822810.1063/5.0158228 ↗
24. A. Taheri, C.D. Silva, C.H. Amon, Effects of biaxial tensile strain on the first-principles-driven thermal conductivity of buckled arsenene and phosphorene. Phys. Chem. Chem. Phys. 20, 27611–27620 (2018). https://doi.org/10.1039/C8CP05342A10.1039/C8CP05342A ↗
25. L. Zhu, T. Zhang, Z. Sun, J. Li, G. Chen, S.A. Yang, Thermal conductivity of biaxial-strained MoS2: sensitive strain dependence and size-dependent reduction rate. Nanotechnology. 26, 465707 (2015). https://doi.org/10.1088/0957-4484/26/46/46570710.1088/0957-4484/26/46/465707 ↗
26. A. Castellanos-Gomez, X. Duan, Z. Fei, H.R. Gutierrez, Y. Huang, X. Huang, J. Quereda, Q. Qian, E. Sutter, P. Sutter, Van Der Waals heterostructures. Nat. Rev. Meth Prim. 2, 58 (2022). https://doi.org/10.1038/s43586-022-00139-110.1038/s43586-022-00139-1 ↗
27. J. Palepu, P.P. Anand, P. Parshi, V. Jain, A. Tiwari, S. Bhattacharya, S. Chakraborty, S. Kanungo, Comparative analysis of strain engineering on the electronic properties of homogenous and heterostructure bilayers of MoX2 (X = S, Se, Te). Micro Nanostruct. 168, 207334 (2022). https://doi.org/10.1016/j.micrna.2022.20733410.1016/j.micrna.2022.207334 ↗
28. H.J. Conley, B. Wang, J.I. Ziegler, R.F. Jr. Haglund, S.T. Pantelides, K.I. Bolotin, Bandgap Engineering of strained monolayer and bilayer MoS2. Nano Lett. 13, 3626–3630 (2013). https://doi.org/10.1021/nl401474810.1021/nl4014748 ↗
29. N. Tang, C. Du, Q. Wang, H. Xu, Strain engineering in bilayer WSe2 over a large strain range. Microelectron. Eng. 223, 111202 (2020). https://doi.org/10.1016/j.mee.2019.11120210.1016/j.mee.2019.111202 ↗
30. P. Giannozzi, S. Baroni, N. Bonini et al., QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. : Condens. Matter. 21, 395502 (2009). https://doi.org/10.1088/0953-8984/21/39/39550210.1088/0953-8984/21/39/395502 ↗
31. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996). https://doi.org/10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
32. G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758 (1999). https://doi.org/10.1103/PhysRevB.59.175810.1103/PhysRevB.59.1758 ↗
33. D.J. Chadi, Special points for Brillouin-Zone integrations. Phys. Rev. B 16, 1746 (1977). https://doi.org/10.1103/PhysRevB.13.518810.1103/PhysRevB.13.5188 ↗
34. D.G.A. Smith, L.A. Burns, K. Patkowski, C.D. Sherrill, Revised damping parameters for the D3 dispersion correction to Density Functional Theory. J. Phys. Chem. Lett. 7, 2197–2203 (2016). https://doi.org/10.1021/acs.jpclett.6b0078010.1021/acs.jpclett.6b00780 ↗
35. J. Palepu, A. Tiwari, P. Sahatiya, S. Kundu, S. Kanungo et al., Effects of artificial stacking configurations and biaxial strain on the structurlectronic and transport properties of bilayer GaSe-A first principle study. Mat. Sci. Semicon. Proc. 137, 106236 (2022). https://doi.org/10.1016/j.mssp.2021.10623610.1016/j.mssp.2021.106236 ↗
36. N. Bahadursha, A. Tiwari, S. Chakraborty, S. Kanungo, Theoretical investigation of the structural and electronic properties of bilayer Van Der Waals heterostructure of Janus molybdenum di-chalcogenides-effects of interlayer chalcogen pairing. Mater. Chem. Phys. 297, 127375 (2023). https://doi.org/10.1016/j.matchemphys.2023.12737510.1016/j.matchemphys.2023.127375 ↗
37. W. Li, J. Carrete, N.A. Katcho, N. Mingo, ShengBTE: a solver of the Boltzmann transport equation for phonons. Comput. Phys. Commun. 185, 1747–1758 (2014). https://doi.org/10.1016/j.cpc.2014.02.01510.1016/j.cpc.2014.02.015 ↗
38. A. Togo, L. Chaput, T. Tadano, I. Tanaka, Implementation strategies in phonopy and phono3py. J. Phys. : Condens. Matt. 35, 353001 (2023). https://doi.org/10.1088/1361-648X/acd83110.1088/1361-648X/acd831 ↗
39. S. Guo, Phonon transport in Janus monolayer MoSSe: a first-principles study. Phys. Chem. Chem. Phys. 20, 7236–7242 (2018). https://doi.org/10.1039/C8CP00350E10.1039/C8CP00350E ↗
40. W. Li, C. Yang, Tunable thermal transport properties of bilayer GeS with stacking patterns. J. Appl. Phys. 132, 214302 (2022). https://doi.org/10.1063/5.011355710.1063/5.0113557 ↗
41. W. Li, C. Yang, Thermal conductivity of Van Der Waals heterostructure of 2D GeS and SnS based on machine learning interatomic potential. J. Phys. Cond Matter. 35, 505001 (2023). https://doi.org/10.1088/1361-648X/acf6ea10.1088/1361-648X/acf6ea ↗
42. J. Jiang, Parametrization of Stillinger-Weber potential based on valence force field model: application to single-layer MoS2 and black phosphorus. Nanotechnology. 26, 315706 (2015). https://doi.org/10.1088/0957-4484/26/31/31570610.1088/0957-4484/26/31/315706 ↗
43. D. Han, H. Sun, W. Ding, Y. Chen, X. Wang, L. Cheng, Effect of biaxial strain on thermal transport in WS2 monolayer from first-principles calculations. Phys. E. 124, 114312 (2020). https://doi.org/10.1016/j.physe.2020.11431210.1016/j.physe.2020.114312 ↗
44. X. Gu, Y. Wei, X. Yin, B. Li, R. Yang, Colloquium: phononic thermal properties of two-dimensional materials. Rev. Mod. Phys. 90, 041002 (2018). https://doi.org/10.1103/RevModPhys.90.04100210.1103/RevModPhys.90.041002 ↗
45. A.A. Maznev, O.B. Wright, Demystifying umklapp vs normal scattering in lattice thermal conductivity. Am. J. Phys. 82, 1062–1066 (2014). https://doi.org/10.1119/1.489261210.1119/1.4892612 ↗
46. Z. Jia, H. Zhang, X. Chen, W. Ding, First-principles study of lattice thermal conductivity in Janus MoSSe bilayers with different stacking modes. J. Electron. Mater. 52, 2458 (2023). https://doi.org/10.1007/s11664-022-10199-410.1007/s11664-022-10199-4 ↗