Journals Articles Conferences News About CLP
Submit a paper Email Alert
Search
Search
Articles
Journals
News
Advanced Search
Top Searches
2D MaterialsTransformation opticsQuantum PhotonicsSmall lasersSemiconductor UV PhotonicsSupersymmetric microring laser arrays

Journal of Semiconductors, Volume. 44, Issue 3, 032001(2023)

Bilayer MSe2 (M = Zr, Hf, Mo, W) performance as a hopeful thermoelectric materials

Mahmood Radhi Jobayr1、* and Ebtisam M-T. Salman2
Author Affiliations
  • 1Department of Radiology Technology, College of Health and Medical Technology, Middle Technical University (MTU), Baghdad, Iraq
  • 2Department of Physics, College of Education for Pure Science (Ibn-AL-Haitham), University of Baghdad, Baghdad, Iraq
    • show less
    Full TextGet PDF
    Figures&Tables (12)
    Equations (0)
    References (54)
    Tools
    Paper Information
    Topics
    References(54)

    [1] J P Heremans. Introduction to cryogenic solid state cooling. Tri-Technology Device Refrigeration (TTDR), 9821, 95(2016).

    [2] S W Finefrock, H R Yang, H Y Fang et al. Thermoelectric properties of solution synthesized nanostructured materials. Annu Rev Chem Biomol Eng, 6, 247(2015).

    [3] X Wang, Y Q Shi, L M Ding. To enhance the performance of n-type organic thermoelectric materials. J Semicond, 43, 020202(2022).

    [4] J He, T M Tritt. Advances in thermoelectric materials research: Looking back and moving forward. Science, 357, eaak9997(2017).

    [5] G Özbal, T Senger, C Sevik et al. Ballistic thermoelectric properties of monolayer semiconducting transition metal dichalcogenides and oxides. Phys Rev B, 100, 084515(2019).

    [6] K Esfarjani, M Zebarjadi, Y Kawazoe. Thermoelectric properties of a nanocontact made of two-capped single-wall carbon nanotubes calculated within the tight-binding approximation. Phys Rev B, 73, 085406(2006).

    [7] S Farhangfar. Size-dependent thermoelectricity in nanowires. J Phys D, 44, 125403(2011).

    [8] N T Hung, A R T Nugraha, R Saito. Two-dimensional InSe as a potential thermoelectric material. Appl Phys Lett, 111, 092107(2017).

    [9] X L Zhu, P F Liu, J R Zhang et al. Monolayer SnP3: An excellent p-type thermoelectric material. Nanoscale, 11, 19923(2019).

    [10] J M Skelton, S C Parker, A Togo et al. Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles. Phys Rev B, 89, 205203(2014).

    [11] Z B Gao, J S Wang. Thermoelectric penta-silicene with a high room-temperature figure of merit. ACS Appl Mater Interfaces, 12, 14298(2020).

    [12] Yelgel Ö Ceyda, G P Srivastava. Thermoelectric properties of p-type (Bi2Te3)x(Sb2Te3)1−x single crystals doped with 3 wt.% Te. J Appl Phys, 113, 073709(2013).

    [13] J P Heremans, B Wiendlocha, A M Chamoire. Resonant levels in bulk thermoelectric semiconductors. Energy Environ Sci, 5, 5510(2012).

    [14] T J Zhu, Y T Liu, C G Fu et al. Compromise and synergy in high-efficiency thermoelectric materials. Adv Mater, 29, 1605884(2017).

    [15] T Fang, S Q Zheng, T Zhou et al. Computational prediction of high thermoelectric performance in p-type half-Heusler compounds with low band effective mass. Phys Chem Chem Phys, 19, 4411(2017).

    [16] R Y Wang, J P Feser, J S Lee et al. Enhanced thermopower in PbSe nanocrystal quantum dot superlattices. Nano Lett, 8, 2283(2008).

    [17] P Yan, G Y Gao, G Q Ding et al. Bilayer MSe2 (M = Zr, Hf) as promising two-dimensional thermoelectric materials: A first-principles study. RSC Adv, 9, 12394(2019).

    [18] S Li, Y M Wang, C Chen et al. Heavy doping by bromine to improve the thermoelectric properties of n-type polycrystalline SnSe. Adv Sci, 5, 1800598(2018).

    [19] S Kim, C Lee, Y S Lim et al. Investigation for thermoelectric properties of the MoS2 monolayer-graphene heterostructure: Density functional theory calculations and electrical transport measurements. ACS Omega, 6, 278(2020).

    [20] H Kara, M Upadhyay Kahaly, K Özdoğan. Thermoelectric response of quaternary Heusler compound CrVNbZn. J Alloys Compd, 735, 950(2018).

    [21] X M Wu, X X Ke, M L Sui. Recent progress on advanced transmission electron microscopy characterization for halide perovskite semiconductors. J Semicond, 43, 041106(2022).

    [22] M R Jobayr, E M T Salman. Investigation of the thermoelectric properties of one-layer transition metal dichalcogenides. Chin J Phys, 74, 270(2021).

    [23] D Wu, L Huang, P Z Jia et al. Tunable spin electronic and thermoelectric properties in twisted triangulene π-dimer junctions. Appl Phys Lett, 119, 063503(2021).

    [24] X K Chen, X Y Hu, P Jia et al. Tunable anisotropic thermal transport in porous carbon foams: The role of phonon coupling. Int J Mech Sci, 206, 106576(2021).

    [25] Q Y Zhao, Y H Guo, K Y Si et al. Elastic, electronic, and dielectric properties of bulk and monolayer ZrS2, ZrSe2, HfS2, HfSe2 from van der Waals density-functional theory. Phys Status Solidi B, 254, 1700033(2017).

    [26] D Qin, X J Ge, G Q Ding et al. Strain-induced thermoelectric performance enhancement of monolayer ZrSe2. RSC Adv, 7, 47243(2017).

    [27] Q R Yao, L J Zhang, P Bampoulis et al. Nanoscale investigation of defects and oxidation of HfSe2. J Phys Chem C, 122, 25498(2018).

    [28] L Ju, M Bie, J Shang et al. Janus transition metal dichalcogenides: A superior platform for photocatalytic water splitting. J Phys Mater, 3, 022004(2020).

    [29] R Q Guo, X J Wang, Y D Kuang et al. First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS. Phys Rev B, 92, 115202(2015).

    [30] D Wickramaratne, F Zahid, R K Lake. Electronic and thermoelectric properties of few-layer transition metal dichalcogenides. J Chem Phys, 140, 124710(2014).

    [31] E Witkoske, X Wang, J Maassen et al. Universal behavior of the thermoelectric figure of merit, zT,vs. quality factor. Mater Today Phys, 8, 43(2019).

    [32] O N Koroleva, A V Mazhukin, V I Mazhukin et al. Approximation of Fermi-Dirac integrals of different orders used to determine the thermal properties of metals and semiconductors. Mathematica Montisnigri, 35, 37(2016).

    [33] J A Hernandez, A Ruiz, L F Fonseca et al. Thermoelectric properties of SnSe nanowires with different diameters. Sci Rep, 8, 11966(2018).

    [34] D Qin, P Yan, G Q Ding et al. Monolayer PdSe2: A promising two-dimensional thermoelectric material. Sci Rep, 8, 2764(2018).

    [35] X F Wang, V Askarpour, J Maassen et al. On the calculation of Lorenz numbers for complex thermoelectric materials. J Appl Phys, 123, 055104(2018).

    [36] T J Scheidemantel, C Ambrosch-Draxl, T Thonhauser et al. Transport coefficients from first-principles calculations. Phys Rev B, 68, 125210(2003).

    [37] N Neophytou, H Kosina. Effects of confinement and orientation on the thermoelectric power factor of silicon nanowires. Phys Rev B, 83, 245305(2011).

    [38] J M Chen, D Wang, Z G Shuai. First-principles predictions of thermoelectric figure of merit for organic materials: Deformation potential approximation. J Chem Theory Comput, 8, 3338(2012).

    [39] C W Wu, X Ren, G F Xie et al. Enhanced high-temperature thermoelectric performance by strain engineering in BiOCl. Phys Rev Appl, 18, 014053(2022).

    [40] P Z Jia, Z X Xie, Y X Deng et al. High thermoelectric performance induced by strong anharmonic effects in monolayer (PbX)2 (X = S, Se, Te). Appl Phys Lett, 121, 043901(2022).

    [41] A M Ganose, J Park, A Faghaninia et al. Efficient calculation of carrier scattering rates from first principles. Nat Commun, 12, 2222(2021).

    [42] W X Zhang, Z S Huang, W L Zhang et al. Two-dimensional semiconductors with possible high room temperature mobility. Nano Res, 7, 1731(2014).

    [43] L Tang, M Q Long, D Wang et al. The role of acoustic phonon scattering in charge transport in organic semiconductors: A first-principles deformation-potential study. Sci China Ser B, 52, 1646(2009).

    [44] A Yadav, P C Deshmukh, K Roberts et al. An analytic study of the Wiedemann-Franz law and the thermoelectric figure of merit. J Phys Commun, 3, 105001(2019).

    [45] C L Chen, H Wang, Y Y Chen et al. Thermoelectric properties of p-type polycrystalline SnSe doped with Ag. J Mater Chem A, 2, 11171(2014).

    [46] T T Jia, Z Z Feng, S P Guo et al. Screening promising thermoelectric materials in binary chalcogenides through high-throughput computations. ACS Appl Mater Interfaces, 12, 11852(2020).

    [47] G Yumnam, T Pandey, A K Singh. High temperature thermoelectric properties of Zr and Hf based transition metal dichalcogenides: A first principles study. J Chem Phys, 143, 234704(2015).

    [48] M Bittner, N Kanas, R Hinterding et al. A comprehensive study on improved power materials for high-temperature thermoelectric generators. J Power Sources, 410/411, 143(2019).

    [49] Y Z Pei, X Y Shi, A LaLonde et al. Convergence of electronic bands for high performance bulk thermoelectrics. Nature, 473, 66(2011).

    [50] M Wolf, R Hinterding, A Feldhoff. High power factorvs. high zT—A review of thermoelectric materials for high-temperature application. Entropy, 21, 1058(2019).

    [51] X Liu, D B Zhang, H Wang et al. Ultralow lattice thermal conductivity and high thermoelectric performance of penta-Sb2C monolayer: A first principles study. J Appl Phys, 130, 185104(2021).

    [52] Y X Zhen, M Yang, H Zhang et al. Ultrahigh power factors in P-type 1T-ZrX2 (X = S, Se) single layers. Sci Bull, 62, 1530(2017).

    [53] Z S Huang, W X Zhang, W L Zhang. Computational search for two-dimensional MX2 semiconductors with possible high electron mobility at room temperature. Materials, 9, 716(2016).

    [54] X Qian, R G Yang. Temperature effect on the phonon dispersion stability of zirconium by machine learning driven atomistic simulations. Phys Rev B, 98, 224108(2018).

    Tools

    Get Citation

    Copy Citation Text

    Mahmood Radhi Jobayr, Ebtisam M-T. Salman. Bilayer MSe2 (M = Zr, Hf, Mo, W) performance as a hopeful thermoelectric materials[J]. Journal of Semiconductors, 2023, 44(3): 032001

    Download Citation

    EndNote(RIS)BibTexPlain Text
    Set citation alerts for article
    Save article for my favorites
    Paper Information

    Category: Articles

    Received: Jul. 28, 2022

    Accepted: --

    Published Online: Mar. 30, 2023

    The Author Email: Jobayr Mahmood Radhi (dr.mahmood-radhi@mtu.edu.iq)

    DOI:10.1088/1674-4926/44/3/032001

    Topics

    laser devices and laser physics
    Lasers and Laser Optics
    Laser physics
    laser manufacturing
    Instrumentation, Measurement and Metrology