REFERENCES
1. Jiang, B.; Yu, Y.; Cui, J.; et al. High-entropy-stabilized chalcogenides with high thermoelectric performance. Science 2021, 371, 830-4.
2. Luo, D.; Chen, H.; Chen, W.; et al. Interdependent optimization strategies for material, module, and system designs in thermoelectric devices. Device 2025, 3, 100752.
3. Luo, D.; Sun, Z.; Wang, R. Performance investigation of a thermoelectric generator system applied in automobile exhaust waste heat recovery. Energy 2022, 238, 121816.
4. Li, J. W.; Gao, H.; Han, Z.; et al. In situ engineering of grain boundary phase toward superior thermoelectric performance in Mg3(Sb,Bi)2. Adv. Mater. 2025, 37, e2503665.
5. Duparchy, A.; Naithani, H.; Ghosh, S.; et al. Poorer is better: towards robust, high performance Mg2(Si,Sn) thermoelectric material by avoiding excess Mg. Energy. Mater. 2025, 5, 500134.
6. Chen, W.; Aishwarya, K.; Sardar, K. Statistical and artificial intelligence approaches towards the optimization of thermoelectric materials synthesis: a review. Energy. Mater. 2025, 5, 500120.
7. Zhang, Z.; Ming, C.; Song, Q.; et al. Grain boundary modulation improved thermal stability of high thermoelectric performance Mg3(Sb,Bi)2-based compounds. Acta. Mater. 2025, 287, 120806.
8. Du, J.; Sun, Y.; Guo, F.; et al. Enhanced thermoelectric cooling performance of (Bi,Sb)2Te3 through platinum doping. Mater. Today. Phys. 2025, 53, 101705.
9. Yang, Q.; Yang, S.; Qiu, P.; et al. Flexible thermoelectrics based on ductile semiconductors. Science 2022, 377, 854-8.
11. He, J.; Tritt, T. M. Advances in thermoelectric materials research: looking back and moving forward. Science 2017, 357.
12. Lei, J.; Wuliji, H.; Ren, Q.; et al. Exceptional thermoelectric performance in AB2Sb2-type Zintl phases through band shaping. Energy. Environ. Sci. 2024, 17, 1416-25.
13. Ohno, S.; Imasato, K.; Anand, S.; et al. Phase boundary mapping to obtain n-type Mg3Sb2-based thermoelectrics. Joule 2018, 2, 141-54.
14. Jeong, J.; Shim, D.; Yox, P.; et al. Tuning the radius ratio to enhance thermoelectric properties in the Zintl compounds AM2Sb2 (A = Ba, Sr; M = Zn, Cd). Chem. Mater. 2023, 35, 3985-97.
15. Shuai, J.; Wang, Y.; Kim, H. S.; et al. Thermoelectric properties of Na-doped Zintl compound: Mg3-xNaxSb2. Acta. Mater. 2015, 93, 187-93.
16. Yang, J.; Zhao, S.; Liu, X.; Chen, L.; Wu, L. M. Enhancing near‐room‐temperature thermoelectric performance of n‐Type Mg3(Bi,Sb)2‐based materials through induction sintering and Mg evaporation control. Adv. Funct. Mater. 2024, 35, 2416861.
17. Ma, Y.; Shi, X.; Zhang, L.; et al. A two-step strategy improves the wide-temperature-range thermoelectric performance of Mg3+xBi1.29Sb0.7Te0.01. J. Mater. Chem. A. 2025, 13, 11406-15.
18. Shi, X.; Zhao, T.; Zhang, X.; et al. Extraordinary n-type Mg3SbBi Thermoelectrics enabled by yttrium doping. Adv. Mater. 2019, 31, e1903387.
19. Lin, Y.; Wood, M.; Imasato, K.; et al. Expression of interfacial Seebeck coefficient through grain boundary engineering with multi-layer graphene nanoplatelets. Energy. Environ. Sci. 2020, 13, 4114-21.
20. Li, J.; Jia, F.; Zhang, S.; et al. The manipulation of substitutional defects for realizing high thermoelectric performance in Mg3Sb2-based Zintl compounds. J. Mater. Chem. A. 2019, 7, 19316-23.
21. Zhang, J.; Song, L.; Iversen, B. B. Probing efficient N-type lanthanide dopants for Mg3Sb2 thermoelectrics. Adv. Sci. 2020, 7, 2002867.
22. Li, J. W.; Han, Z.; Yu, J.; et al. Wide-temperature-range thermoelectric n-type Mg3(Sb,Bi)2 with high average and peak zT values. Nat. Commun. 2023, 14, 7428.
23. Li, J.; Chetty, R.; Liu, Z.; Gao, W.; Mori, T. Enhancing The Thermoelectric Performance of n-type Mg3Sb2-based materials via Ag doping. Small 2025, 21, e2408059.
24. Priyadharshini, S.; Vijay, V.; Kamalakannan, S.; Archana, J.; Navaneethan, M. Realizing an ultralow thermal conductivity via interfacial scattering and rational-electronic band reformation in p-type Mg3Sb2. Appl. Phys. Lett. 2024, 124, 031601.
25. Cui, Y.; Zhang, X.; Duan, B.; et al. Band structure and thermoelectric properties of Al-doped Mg3-xAlxSb2 compounds. J. Mater. Sci:. Mater. Electron. 2019, 30, 15206-13.
26. Niu, Y.; Yang, C.; Zhou, T.; et al. Enhanced average thermoelectric figure of merit of p-type Zintl phase Mg2ZnSb2 via Zn vacancy tuning and hole doping. ACS. Appl. Mater. Interfaces. 2020, 12, 37330-7.
27. Xu, Z.; Shi, X.; Zhang, Y.; et al. Na/Bi-co-doping and heterogeneous interfaces leading to enhanced thermoelectric performance of p-type Mg3Sb2-based Zintls. Chem. Eng. J. 2024, 498, 155147.
28. Tiadi, M.; Trivedi, V.; Kumar, S.; et al. Enhanced thermoelectric efficiency in P-type Mg3Sb2: role of monovalent atoms codoping at Mg sites. ACS. Appl. Mater. Interfaces. 2023, 15, 20175-90.
29. Wang, H.; Chen, J.; Lu, T.; et al. Enhanced thermoelectric performance in p-type Mg3Sb2 via lithium doping. Chin. Phys. B. 2018, 27, 047212.
30. Huang, L.; Liu, T.; Mo, X.; et al. Thermoelectric performance improvement of p-type Mg3Sb2-based materials by Zn and Ag co-doping. Mater. Today. Phys. 2021, 21, 100564.
31. Fu, Y.; Zhang, X.; Liu, H.; Tian, J.; Zhang, J. Thermoelectric properties of Ag-doped compound: Mg3-xAgxSb2. J. Materiomics. 2018, 4, 75-9.
32. Bhardwaj, A.; Chauhan, N. S.; Goel, S.; et al. Tuning the carrier concentration using Zintl chemistry in Mg3Sb2, and its implications for thermoelectric figure-of-merit. Phys. Chem. Chem. Phys. 2016, 18, 6191-200.
33. Ren, Z.; Shuai, J.; Mao, J.; et al. Significantly enhanced thermoelectric properties of p-type Mg3Sb2 via co-doping of Na and Zn. Acta. Mater. 2018, 143, 265-71.
34. Agne, M. T.; Imasato, K.; Anand, S.; et al. Heat capacity of Mg3Sb2, Mg3Bi2, and their alloys at high temperature. Mater. Today. Phys. 2018, 6, 83-8.
35. Kresse, G.; Hafner, J. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. Phys. Rev. B. Condens. Matter. 1994, 49, 14251-69.
36. Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B. 1999, 59, 1758-75.
37. Li, J.; Zhang, S.; Han, K.; Sun, B.; Cao, L. Large improvement in thermoelectric performance of pressure-tuned Mg3Sb2. RSC. Adv. 2021, 12, 1149-56.
38. Li, A.; Hu, C.; He, B.; et al. Demonstration of valley anisotropy utilized to enhance the thermoelectric power factor. Nat. Commun. 2021, 12, 5408.
39. Zhang, X.; Luo, H.; Cao, X.; et al. Achieving excellent thermoelectric performance in p-type Mg3Sb2-based Zintl materials via synergistic band engineering and entropy engineering. Acta. Mater. 2025, 289, 120933.
40. Li, J. W.; Liu, W.; Xu, W.; et al. Bi-deficiency leading to high-performance in Mg3(Sb,Bi)2-based thermoelectric materials. Adv. Mater. 2023, 35, e2209119.
41. Nolas, G. S.; Morelli, D. T.; Tritt, T. M. Skutterudites: a Phonon-glass-electron crystal approach to advanced thermoelectric energy conversion applications. Annu. Rev. Mater. Sci. 1999, 29, 89-116.
42. Liu, W.; Tan, X.; Yin, K.; et al. Convergence of conduction bands as a means of enhancing thermoelectric performance of n-type Mg2Si1-xSnx solid solutions. Phys. Rev. Lett. 2012, 108, 166601.
43. Pei, Y.; Wang, H.; Snyder, G. J. Band engineering of thermoelectric materials. Adv. Mater. 2012, 24, 6125-35.
44. Tiadi, M.; Battabyal, M.; Jain, P. K.; Chauhan, A.; Satapathy, D. K.; Gopalan, R. Enhancing the thermoelectric efficiency in p-type Mg3Sb2 via Mg site co-doping. Sustain. Energy. Fuels. 2021, 5, 4104-14.
45. Xin, H. X.; Qin, X. Y.; Jia, J. H.; Song, C. J.; Zhang, K. X.; Zhang, J. Thermoelectric properties of nanocrystalline (Mg1-xZnx)3Sb2isostructural solid solutions fabricated by mechanical alloying. J. Phys. D. Appl. Phys. 2009, 42, 165403.
46. Ahmadpour, F.; Kolodiazhnyi, T.; Mozharivskyj, Y. Structural and physical properties of Mg3-xZnxSb2 (x = 0-1.34). J. Solid. State. Chem. 2007, 180, 2420-8.
47. Williamson, G.; Hall, W. X-ray line broadening from filed aluminium and wolfram. Acta. Metall. 1953, 1, 22-31.
48. Callaway, J. Model for Lattice Thermal Conductivity at Low Temperatures. Phys. Rev. 1959, 113, 1046-51.
49. Poudel, B.; Hao, Q.; Ma, Y.; et al. High-thermoelectric performance of nanostructured bismuth antimony telluride bulk alloys. Science 2008, 320, 634-8.
