Nb掺杂对微波制备TiCoSb Half-Heusler合金热电性能的提升

doi:10.3976/j.issn.1002-4026.20230101

摘要/Abstract

摘要：

TiCoSb Half-Heusler合金固有的高导热性,以及传统制备方法制备周期长、成本高等缺点限制了其商业化应用。采用微波合成与急速热压烧结相结合的方法成功制备了低热导率的Ti_1-_xNb_xCoSb Half-Heusler合金,大大缩短了制备周期,同时提高了TiCoSb Half-Heusler合金的致密度。研究了Ti位Nb取代对Ti_1-_xNb_xCoSb Half-Heusler热电材料的相组成、成分分布及热电输运性能的影响。在功率因子增加和晶格热导率降低的共同作用下,Ti_1-_xNb_xCoSb样品的热电优值(ZT)得到显著优化。在725 K时,Ti_0.93Nb_0.07CoSb样品的最大ZT值为0.1,比相同工艺下制备的TiCoSb纯相样品高两个数量级。

关键词: Half-Heusler合金, Ti_1-_xNb_xCoSb, 微波, 热电性能

Abstract:

Along with the long preparation cycle time and high cost of conventional preparation methods, the inherent high thermal conductivity of TiCoSb Half-Heusler alloy limited its commercial application. Herein, Ti_1-_xNb_xCoSb Half-Heusler alloys with low thermal conductivity were successfully prepared by microwave synthesis combined with rapid hot-pressing sintering, which substantially shortened the preparation cycle and increased the density of TiCoSb Half-Heusler alloys. Furthermore, we studied the effects of Nb substitution at Ti sites on the phase composition, composition distribution, and thermoelectric transport properties of Ti_1-_xNb_x CoSb Half-Heusler thermoelectric materials. Additionally, the figure of merit(ZT) of Ti_1-_xNb_x CoSb samples were considerably optimized under the combined effects of increasing power factor and decreasing lattice thermal conductivity. The results showed that the Ti_0.93Nb_0.07CoSb sample had a maximum ZT of 0.1 at 725 K, which was two orders of magnitude higher than that of the TiCoSb sample prepared by the same process.

Key words: Half-Heusler, Ti_1-_xNb_x CoSb, microwave, thermoelectric properties

中图分类号:

TN37

张瑞鹏, 孔建彪, 侯仰博, 薄琳, 王文莹, 王兴隆, 赵令浩, 祝军亮, 赵德刚. Nb掺杂对微波制备TiCoSb Half-Heusler合金热电性能的提升[J]. 山东科学, 2024, 37(2): 47-54.

ZHANG Ruipeng, KONG Jianbiao, HOU Yangbo, BO Lin, WANG Wenying, WANG Xinglong, ZHAO Linghao, ZHU Junliang, ZHAO Degang. Enhanced thermoelectric properties of Nb-doped TiCoSb Half-Heusler alloys prepared by microwave method[J]. Shandong Science, 2024, 37(2): 47-54.

图/表 7

图1

表1

图2

图3

图4

图5

图6

参考文献 36

[1]	RIFFAT S B, MA X L. Thermoelectrics: A review of present and potential applications[J]. Applied Thermal Engineering, 2003, 23(8): 913-935. DOI: 10.1016/S1359-4311(03)00012-7.
[2]	SHI X, HE J A. Thermopower and harvesting heat[J]. Science, 2021, 371(6527): 343-344. DOI: 10.1126/science.abf3342. pmid: 33479137
[3]	UHER C, YANG J, HU S, et al. Transport properties of pure and doped MNiSn(M=Zr, Hf)[J]. Physical Review B, 1999, 59(13): 8615-8621. DOI: 10.1103/physrevb.59.8615.
[4]	HE J, TRITT T M. Advances in thermoelectric materials research: Looking back and moving forward[J]. Science, 2017, 357(6358): 1-11. DOI: 10.1126/science.aak9997.
[5]	刘恩科, 朱秉升, 罗晋生. 半导体物理学[M]. 7版. 北京: 电子工业出版社, 2008.
[6]	BERMAN R, KLEMENS P G. Thermal conduction in solids[J]. Physics Today, 1978, 31(4): 56-57. DOI: 10.1063/1.2994996.
[7]	GAYNER C, KAR KK. Recent advances in thermoelectric materials[J]. Progress in Materials Science, 2016, 83: 330-382. DOI: 10.1016/j.pmatsci.2016.07.002.
[8]	KARATI A, MUKHERJEE S, MALLIK R C, et al. Simultaneous increase in thermopower and electrical conductivity through Ta-doping and nanostructuring in Half-Heusler TiNiSn alloys[J]. Materialia, 2019, 7(1): 100410-100419. DOI: 10.1016/j.mtla.2019.100410.
[9]	LKHAGVASUREN E, OUARDI S, FECHER G H, et al. Optimized thermoelectric performance of the n-type Half-Heusler material TiNiSn by substitution and addition of Mn[J]. AIP Advances, 2017, 7(4): 45010-45016. DOI: 10.1063/1.4979816.
[10]	BOS J W G. Recent developments in Half-Heusler thermoelectric materials[M]// Thermoelectric Energy Conversion. Amsterdam: Elsevier, 2021: 125-142. DOI: 10.1016/b978-0-12-818535-3.00014-1.
[11]	YAN X, LIU W S, WANG H, et al. Stronger phonon scattering by larger differences in atomic mass and size in p-type half-Heuslers Hf_1-_xTi_xCoSb_0.8Sn_0.2[J]. Energy & Environmental Science, 2012, 5(6): 7543-7548. DOI: 10.1039/C2EE21554C.
[12]	LIU Z H, GUO S P, WU Y X, et al. Design of high-performance disordered half-heusler thermoelectric materials using 18-electron rule[J]. Advanced Functional Materials, 2019, 29(44): 1905044-1905054. DOI: 10.1002/adfm.201905044.
[13]	POON S J. Recent advances in thermoelectric performance of half-heusler compounds[J]. Metals, 2018, 8(12): 989-999. DOI: 10.3390/met8120989.
[14]	VISHWAKARMA A, CHAUHAN N S, BHARDWAJ R, et al. Compositional modulation is driven by aliovalent doping in n-type TiCoSb based half-Heuslers for tuning thermoelectric transport[J]. Intermetallics, 2020, 125(1): 106914-106921. DOI: 10.1016/j.intermet.2020.106914.
[15]	SEKIMOTO T, KUROSAKI K, MUTA H, et al. Thermoelectric properties of Sn-doped TiCoSb half-Heusler compounds[J]. Journal of Alloys and Compounds, 2006, 407(1/2): 326-329. DOI: 10.1016/j.jallcom.2005.06.036.
[16]	WU T, JIANG W, LI X Y, et al. Thermoelectric properties of p-type Fe-doped TiCoSb half-Heusler compounds[J]. Journal of Applied Physics, 2007, 102(10): 103705-103711. DOI: 10.1063/1.2809377.
[17]	LEI Y, LI Y, XU L, et al. Microwave synthesis and sintering of TiNiSn thermoelectric bulk[J]. Journal of Alloys and Compounds, 2016, 660(1): 166-170. DOI: 10.1016/j.jallcom.2015.11.089.
[18]	KIM I H, PARK K H, UR S C. Thermoelectric properties of Sn-doped CoSb₃ prepared by encapsulated induction melting[J]. Journal of Alloys and Compounds, 2007, 442(1/2): 351-354. DOI: 10.1016/j.jallcom.2006.08.368.
[19]	GAINZA J, SERRANO-SÁNCHEZ F, RODRIGUES J E F S, et al. High-performance n-type SnSe thermoelectric polycrystal prepared by arc-melting[J]. Cell Reports Physical Science, 2020, 1(12): 100263-100283. DOI: 10.1016/j.xcrp.2020.100263.
[20]	KARATI A, MURTY B S. Synthesis of nanocrystalline half-Heusler TiNiSn by mechanically activated annealing[J]. Materials Letters, 2017, 205(1): 114-117. DOI: 10.1016/j.matlet.2017.06.068.
[21]	ZHOU G T, PALCHIK O, POL V G, et al. Microwave-assisted solid-state synthesis and characterization of intermetallic compounds of Li₃Bi and Li₃Sb[J]. Journal of Materials Chemistry, 2003, 13(10): 2607-2611. DOI: 10.1039/B303163B.
[22]	WONG W L E, GUPTA M. Development of Mg/Cu nanocomposites using microwave assisted rapid sintering[J]. Composites Science and Technology, 2007, 67(7/8): 1541-1552. DOI: 10.1016/j.compscitech.2006.07.015.
[23]	BIRKEL C S, ZEIER W G, DOUGLAS J E, et al. Rapid microwave preparation of thermoelectric TiNiSn and TiCoSb half-Heusler compounds[J]. Chemistry of Materials, 2012, 24(13): 2558-2565. DOI: 10.1021/cm3011343.
[24]	LANDRY C C, BARRON A R. Synthesis of polycrystalline chalcopyrite semiconductors by microwave irradiation[J]. Science, 1993, 260(5114): 1653-1655. DOI: 10.1126/science.260.5114.1653. pmid: 17810208
[25]	BISWAS K, MUIR S, SUBRAMANIAN M A. Rapid microwave synthesis of indium filled skutterudites: an energy efficient route to high performance thermoelectric materials[J]. Materials Research Bulletin, 2011, 46(12): 2288-2290. DOI: 10.1016/j.materresbull.2011.08.058.
[26]	SAVARY E, GASCOIN F, MARINEL S. Fast synthesis of nanocrystalline Mg₂Si by microwave heating: a new route to nano-structured thermoelectric materials[J]. Dalton Transactions, 2010, 39(45): 11074-11080. DOI: 10.1039/C0DT00519C.
[27]	HMOOD A, KADHIM A, ABU HASSAN H. Influence of Yb-doping on the thermoelectric properties of Pb_1-_xYb_xTe alloy synthesized using solid-state microwave[J]. Journal of Alloys and Compounds, 2012, 520(1): 1-6. DOI: 10.1016/j.jallcom.2011.12.044.
[28]	RONG Z Z, FAN X A, YANG F, et al. Microwave activated hot pressing: a new opportunity to improve the thermoelectric properties of n-type Bi₂Te_3-xSe_x bulks[J]. Materials Research Bulletin, 2016, 83(1): 122-127. DOI: 10.1016/j.materresbull.2016.05.030.
[29]	XIN J W, YANG J Y, LI S H, et al. Thermoelectric performance of rapidly microwave-synthesized α-MgAgSb with SnTe nanoinclusions[J]. Chemistry of Materials, 2019, 31(7): 2421-2430. DOI: 10.1021/acs.chemmater.8b05014.
[30]	COMBE E, GUILMEAU E, SAVARY E, et al. Microwave sintering of Ge-doped In₂O₃ thermoelectric ceramics prepared by slip casting process[J]. Journal of the European Ceramic Society, 2015, 35(1): 145-151. DOI: 10.1016/j.jeurceramsoc.2014.08.012.
[31]	MENA J M, GRUHN T. Search of stable structures in cation deficient (V, Nb)CoSb half-Heusler alloys by an atomic cluster expansion[J]. Journal of Materials Chemistry A, 2021, 9(37): 21111-21122. DOI: 10.1039/d1ta01992a.
[32]	AVERSANO F, PALUMBO M, FERRARIO A, et al. Role of secondary phases and thermal cycling on thermoelectric properties of TiNiSn Half-Heusler alloy prepared by different processing routes[J]. Intermetallics, 2020, 127(1): 106988-107001. DOI: 10.1016/j.intermet.2020.106988.
[33]	陈立东, 刘睿恒, 史讯. 热电材料与器件[M]. 北京: 科学出版社, 2018.
[34]	BHATTACHARYA S, POPE A L, LITTLETON I R T IV, et al. Effect of Sb doping on the thermoelectric properties of Ti-based half-Heusler compounds, TiNiSn_1-_xSb_x[J]. Applied Physics Letters, 2000, 77(16): 2476-2478. DOI: 10.1063/1.1318237.
[35]	MAJI P, TAKAS N J, MISRA D K, et al. Effects of Rh on the thermoelectric performance of the p-type Zr_0.5Hf_0.5Co_1-_xRh_xSb_0.99Sn_0.01 half-Heusler alloys[J]. Journal of Solid State Chemistry, 2010, 183(5): 1120-1126. DOI: 10.1016/j.jssc.2010.03.023.
[36]	JOHARI K K, SHARMA D K, VERMA A K, et al. In situ evolution of secondary metallic phases in off-stoichiometric ZrNiSn for enhanced thermoelectric performance[J]. ACS Applied Materials & Interfaces, 2022, 14(17): 19579-19593. DOI: 10.1021/acsami.2c03065.

组分	密度/(g·cm^-3)	致密度/%	载流子浓度/(10²⁰cm^-3)	载流子迁移率/(cm²·V^-1·s^-1)
TiCoSb	7.13	95.70	5.08	2.95
Ti_0.99Nb_0.01CoSb	7.01	94.09	5.74	2.72
Ti_0.97Nb_0.03CoSb	7.08	95.03	7.13	2.63
Ti_0.95Nb_0.05CoSb	7.14	95.84	8.69	2.58
Ti_0.93Nb_0.07CoSb	7.19	96.51	10.26	2.43