journal article·2025-07

Theoretical insights into the thermoelectric properties of carbon, germanium, and silicon nanosheets: a comparative study

Fouad N. Ajeel, Mustafa K. Salman, Alaa M. Khudhair, W. A. Abdul-Hussein

Journal of Nanoparticle Research· Volume 27· Issue 7
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OpenAlex topics: Advanced Thermoelectric Materials and Devices · Thermal properties of materials · Graphene research and applications

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References (58)

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1. Baskaran P, Rajasekar M (2024) Recent trends and future perspectives of thermoelectric materials and their applications. RSC Adv 14(30):21706–2174410.1039/D4RA03625E ↗
2. Feng M et al (2023) An overview of environmental energy harvesting by thermoelectric generators. Renew Sustain Energy Rev 187:11372310.1016/j.rser.2023.113723 ↗
3. Ajeel FN, Ahmed AB (2024) Enhanced thermoelectric performances in graphene nanoribbons via BN dimers doping: theoretical study. Chemical Physics Impact 8:10041310.1016/j.chphi.2023.100413 ↗
4. Ajeel FN (2023) Enhancement of the thermoelectric performance of a single-walled carbon nanotube via Al. Si, P, and S impurities, Chemical Physics Impact 6:10024010.1016/j.chphi.2023.100240 ↗
5. R. Singh et al (2024) Advancements in thermoelectric materials for efficient waste heat recovery and renewable energy generation. Hybrid Advancesp.10017610.1016/j.hybadv.2024.100176 ↗
6. Li D et al (2020) Recent progress of two-dimensional thermoelectric materials. Nano-Micro Letters 12:1–4010.1007/s40820-020-0374-x ↗
7. Ajeel FN, Ahmed AB, Khudhair AM (2024) Enhanced thermoelectric figure of merit in graphene nanoribbons by creating a distortion and transition-metal doping. Nano-Structures & Nano-Objects 38:10116410.1016/j.nanoso.2024.101164 ↗
8. Ajeel FN, Ahmed AB (2024) Thermoelectric properties of armchair graphene nanoribbons: importance of quantum confinement. J Nanopart Res 26(3):5710.1007/s11051-024-05963-y ↗
9. X. Yu et al (2023) Anisotropic thermoelectric properties in hydrogenated nitrogen-doped porous graphene nanosheets. Phy chemistry chemical physics:PCCP 07:10 https://doi.org/10.1039/d3cp01403g10.1039/d3cp01403g ↗
10. Yang L et al (2021) High thermoelectric figure of merit of porous Si nanowires from 300 to 700 K. Nat Commun 12(1):392610.1038/s41467-021-24208-3 ↗
11. Abinaya R, Harish S, Ponnusamy S, Shimomura M, Navaneethan M, Archana J (2021) Enhanced thermoelectric figure-of-merit of MoS2/α-MoO3 nanosheets via tuning of sulphur vacancies. Chem Eng J 416:12848410.1016/j.cej.2021.128484 ↗
12. Ajeel FN, Ahmed AB (2023) Tuning the thermoelectric properties of graphene nanoribbons by vacancy defect with Ge-doping. Chemical Physics Impact 7:10036710.1016/j.chphi.2023.100367 ↗
13. Ajeel FN, Ahmed AB (2023) Influence of the boron doping and Stone-Wales defects on the thermoelectric performance of graphene nanoribbons. The European Physical Journal B 96(10):12710.1140/epjb/s10051-023-00597-w ↗
14. W. A. Abdul-Hussein, F. H. Hanoon, and L. F. Al-Badry, Control the electronic and optical properties of AlN nanosheet by the electric field, Results in Optics, vol. 11, p. 100423, 2023/05/01/ 2023.10.1016/j.rio.2023.100423 ↗
15. W. A. Abdul-Hussein, F. H. Hanoon, and L. F. Al-Badry, Tuning of electronic and optical properties of AlP nanosheet under electric field, Chinese Journal of Physics, vol. 89, pp. 187–194, 2024/06/01/ 2024.10.1016/j.cjph.2023.09.003 ↗
16. V. Cimmelli and P. Rogolino, New and recent results for thermoelectric energy conversion in graded alloys at nanoscale, Nanomaterials, vol. 12, 2022–07–01 2022, https://doi.org/10.3390/nano12142378.10.3390/nano12142378 ↗
17. F. N. Ajeel and A. b. Ahmed, Effect of ZnO dimers on the thermoelectric performance of armchair graphene nanoribbons, Journal of Molecular Modeling, vol. 29, no. 5, p. 145, 2023.10.1007/s00894-023-05545-0 ↗
18. Chen X et al (2021) Flexible thermoelectric films based on Bi2Te3 nanosheets and carbon nanotube network with high n-type performance. ACS Appl Mater Interfaces 13(4):5451–545910.1021/acsami.0c21396 ↗
19. Yang X, Shi T-E, Li W-J, Ma X-Y, Feng J, Ge Z-H (2023) Nanostructured n-type polycrystalline SnSe materials for thermoelectric applications. ACS Applied Nano Materials 6(13):11754–1176310.1021/acsanm.3c01706 ↗
20. W. Abdul-Hussein, F. H. HAnoon, and L. F. BADRY, Sub-5 nm monolayer AlN MOSFETs performance limit, Nonlinear Optics, Quantum Optics: Concepts in Modern Optics, vol. 60, 2024.10.1016/j.micrna.2023.207524 ↗
21. W. A. Abdul-Hussein, F. H. Hanoon, and L. F. Al-Badry, Designing sub-5 nm monolayer AlP MOSFETs, Micro and Nanostructures, vol. 176, p. 207524, 2023/04/01/ 2023.10.1016/j.micrna.2023.207524 ↗
22. Chen G, Xu W, Zhu D (2017) Recent advances in organic polymer thermoelectric composites. Journal of Materials Chemistry C 5(18):4350–436010.1039/C6TC05488A ↗
23. Jin H et al (2019) Hybrid organic–inorganic thermoelectric materials and devices. Angew Chem Int Ed 58(43):15206–1522610.1002/anie.201901106 ↗
24. J. Yu and Q. Sun, Bi2O2Se nanosheet: an excellent high-temperature n-type thermoelectric material, Applied Physics Letters, vol. 112, no. 5, 2018.10.1063/1.5017217 ↗
25. Nozariasbmarz A et al (2020) Review of wearable thermoelectric energy harvesting: from body temperature to electronic systems. Appl Energy 258:11406910.1016/j.apenergy.2019.114069 ↗
26. Jia Y et al (2021) Wearable thermoelectric materials and devices for self-powered electronic systems. Adv Mater 33(42):210299010.1002/adma.202102990 ↗
27. B. Cook, Silicon–germanium: the legacy lives on, Energies, 2022–04–18 2022, https://doi.org/10.3390/en15082957.10.3390/en15082957 ↗
28. Abdul-Hussein W, Almusawe A, Rajab M (2019) Characteristics of single electron transport in a quantum dots system. J Comput Theor Nanosci 16(1):140–14410.1166/jctn.2019.7713 ↗
29. S. Ayinde and M. Myronov, Revealing low thermal conductivity of germanium tin semiconductor at room temperature, Advanced Materials Interfaces, vol. 11, 2023–11–27 2023, https://doi.org/10.1002/admi.202300711.10.1002/admi.202300711 ↗
30. Dorokhin M et al (2023) The use of the Bridgman method to obtain thermoelectric silicon doped with germanium and phosphorus. Perspektivnye Materialy. https://doi.org/10.30791/1028-978x-2023-9-26-3510.30791/1028-978x-2023-9-26-35 ↗
31. S. Huang, S. Ning, and R. Xiong, First-principles study of silicon–tin alloys as a high-temperature thermoelectric material, Materials, vol. 15, 2022–06–01 2022, https://doi.org/10.3390/ma15124107.10.3390/ma15124107 ↗
32. Huang H, Li W, Hu C, Fan X (2023) Promising novel thermoelectric materials: two-dimensional penta-like PtPX (X= S, Se, Te) nanosheets. Journal of Materials Chemistry C 11(28):9449–946410.1039/D3TC01160G ↗
33. Bai Y et al (2023) Graphene oxide embedded in Bi2S3 nanosheets by hydrothermal method to enhance thermoelectric performance. Mater Chem Phys 301:12764310.1016/j.matchemphys.2023.127643 ↗
34. Qin J, Du Y, Wang L, Du M, Eklund P, Ke Q (2024) Flexible two-dimensional inorganic nanosheet/PEDOT: PSS thermoelectric composite films. Energy Material Advances 5:009710.34133/energymatadv.0097 ↗
35. Zhang L et al (2022) N-type flexible Bi2Se3 nanosheets/SWCNTs composite films with improved thermoelectric performance for low-grade waste-heat harvesting. Nano Energy 104:10790710.1016/j.nanoen.2022.107907 ↗
36. Huang H et al (2016) Metallic 1T phase MoS2 nanosheets for high-performance thermoelectric energy harvesting. Nano Energy 26:172–17910.1016/j.nanoen.2016.05.022 ↗
37. Garg KK, Pandey S, Kumar A, Rana A, Sahoo NG, Singh RK (2022) Graphene nanosheets derived from waste plastic for cost-effective thermoelectric applications. Results in Materials 13:10026010.1016/j.rinma.2022.100260 ↗
38. Amollo TA, Mola GT, Kirui M, Nyamori VO (2018) Graphene for thermoelectric applications: prospects and challenges. Crit Rev Solid State Mater Sci 43(2):133–15710.1080/10408436.2017.1300871 ↗
39. K. Fu et al., Enhancement of thermoelectric properties in Sr0. 6La0. 4Nb2O6-δ-based ceramics by addition of graphite, Solid State Sciences, vol. 155, p. 107636, 2024.10.1016/j.solidstatesciences.2024.107636 ↗
40. P. Rawat, M. H. Lee, A. Kumar, S. Thoravat, and J. S. Rhyee, Thermoelectric properties of extrinsic phase mixing in chalcogenide bulk nanocomposites, Current Applied Physics, 2024.10.1016/j.cap.2024.01.007 ↗
41. Du Y, Xu J, Paul B, Eklund P (2018) Flexible thermoelectric materials and devices. Appl Mater Today 12:366–38810.1016/j.apmt.2018.07.004 ↗
42. Zhang L, Shi X-L, Yang Y-L, Chen Z-G (2021) Flexible thermoelectric materials and devices: from materials to applications. Mater Today 46:62–10810.1016/j.mattod.2021.02.016 ↗
43. Geng J, Zhang P, Tang Z, Ouyang T (2024) Phonon transport properties of Janus Pb2 XAs (X= P, Sb, and Bi) monolayers: a DFT study. Chin Phys B 33(4):04650110.1088/1674-1056/ad2260 ↗
44. P. Zhang et al., Mechanical, optical, and thermoelectric properties of metastable silicon oP16-Si: a first-principles study, physica status solidi (RRL)–Rapid Research Letters, vol. 19, no. 5, p. 2400374, 2025.10.1002/pssr.202400374 ↗
45. Ouyang T et al (2017) Potential thermoelectric material open framework Si24 from a first-principles study. J Phys D Appl Phys 50(42):42550110.1088/1361-6463/aa8526 ↗
46. Zhang P et al (2018) Thermoelectric properties of four typical silicon allotropes. Modell Simul Mater Sci Eng 26(8):08500610.1088/1361-651X/aae401 ↗
47. Z. Hao et al., Thermoelectric properties of two-dimensional Janus penta-PdXY (XY= SeTe, SSe, or STe) monolayers: electron–phonon averaged approximation studies, Journal of Applied Physics, vol. 137, no. 20, 2025.10.1063/5.0270544 ↗
48. Budiutama G, Li R, Manzhos S, Ihara M (2023) Hybrid density functional tight binding (DFTB)─ molecular mechanics approach for a low-cost expansion of DFTB Applicability. J Chem Theory Comput 19(15):5189–519810.1021/acs.jctc.3c00310 ↗
49. Abbasi R, Faez R (2023) DFT-Based Tight-binding model of vdW bilayer χ3 and β12 borophene. Mater Chem Phys 307:12813610.1016/j.matchemphys.2023.128136 ↗
50. Guo D et al (2023) Anharmonic phonon renormalization assisted acoustic branch scattering induces ultralow thermal conductivity and high thermoelectric performance of 2D SnSe. J Alloy Compd 932:16752510.1016/j.jallcom.2022.167525 ↗
51. Sun J, Zhang C, Yang Z, Shen Y, Hu M, Wang Q (2022) Four-phonon scattering effect and two-channel thermal transport in two-dimensional paraelectric SnSe. ACS Appl Mater Interfaces 14(9):11493–1149910.1021/acsami.1c24488 ↗
52. Tang S et al (2024) Weak interatomic interactions induced low lattice thermal conductivity in 2D/2D PbSe/SnSe vdW heterostructure. Materials Today Physics 43:10139810.1016/j.mtphys.2024.101398 ↗
53. R. C. Junghare and G. C. Patil, Ab-initio tight binding Hamiltonian generation for 1D and 2D MoS2 based devices, in Proc. of TechConnect World Innovation Conference and Expo, co-located with the Nanotech-2019 and AI TechConnect, 2019.
54. T. Weinlandt, D. Kaplan, and V. Swaminathan, A method to formulate the unit cell for density functional theory (DFT) calculations of the electronic band structure of heterostructures of two-dimensional nanosheets, 2015.10.21236/ADA623945 ↗
55. Carrete J, Mingo N, Wang S, Curtarolo S (2014) Nanograined half-Heusler semiconductors as advanced thermoelectrics: an ab initio high-throughput statistical study. Adv Func Mater 24(47):7427–743210.1002/adfm.201401201 ↗
56. X. Gu and R. Yang (2014) Phonon transport in single-layer transition metal dichalcogenides: a first-principles study. Applied Phys Letters105:1310.1063/1.4896685 ↗
57. Markussen T, Rurali R, Jauho A-P, Brandbyge M (2007) Scaling theory put into practice: first-principles modeling of transport in doped silicon nanowires. Phys Rev Lett 99(7):07680310.1103/PhysRevLett.99.076803 ↗
58. Markussen T, Jauho A-P, Brandbyge M (2009) Surface-decorated silicon nanowires: a route to high-ZT thermoelectrics. Phys Rev Lett 103(5):05550210.1103/PhysRevLett.103.055502 ↗