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Band Engineering and Phonon Engineering Effectively Improve n-Type Mg3Sb2 Thermoelectric Material Properties
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2023-11-10 , DOI: 10.1021/acsami.3c14155
Lu Yu 1 , Si-Tong Wei 1 , Li-Jun Wang 2 , Zi-Pei Zhang 1 , Zhen Ji 1 , Si-Tong Luo 1 , Jing-Xuan Liang 1 , Wei-Yu Song 3 , Shu-Qi Zheng 1
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2023-11-10 , DOI: 10.1021/acsami.3c14155
Lu Yu 1 , Si-Tong Wei 1 , Li-Jun Wang 2 , Zi-Pei Zhang 1 , Zhen Ji 1 , Si-Tong Luo 1 , Jing-Xuan Liang 1 , Wei-Yu Song 3 , Shu-Qi Zheng 1
Affiliation
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Mg3Sb2-based thermoelectric materials can convert heat and electricity into each other, making them a promising class of environmentally friendly materials. Further improving the electrical performance while effectively reducing the thermal conductivity is a crucial issue. In this paper, under the guidance of the oneness principle calculation, we designed a thermoelectric Zintl phase based on Mg3.2Sb1.5Bi0.5 doped with Tb and Er. Calculation results show that using Tb and Er as cationic site dopants effectively improves the electrical properties and reduces the lattice thermal conductivity. Experimental results confirmed the effectiveness of codoping and effectively enhanced thermoelectric performance. The most immense ZT value obtained by the Mg3.185Tb0.01Er0.005Sb1.5Bi0.5 sample was 1.71. In addition, the average Young’s modulus of the Mg3.185Tb0.01Er0.005Sb1.5Bi0.5 sample is 51.85 GPa, and the Vickers hardness is 0.99 GPa. Under the same test environment, the material was subjected to 12 cycles in the temperature range of 323–723 K, and the average power factor error range was 1.8% to 2.1%, which is of practical significance for its application in actual device scenarios.
中文翻译：
能带工程和声子工程有效改善n型Mg3Sb2热电材料性能
Mg 3 Sb 2基热电材料可以将热和电相互转换，使其成为一类很有前途的环保材料。进一步提高电性能同时有效降低热导率是一个关键问题。本文在单一性原理计算的指导下，设计了一种基于Mg 3.2 Sb 1.5 Bi 0.5并掺杂Tb和Er的热电Zintl相。计算结果表明，使用Tb和Er作为阳离子位点掺杂剂有效提高了电性能并降低了晶格热导率。实验结果证实了共掺杂的有效性并有效增强了热电性能。Mg 3.185 Tb 0.01 Er 0.005 Sb 1.5 Bi 0.5样品获得的最大ZT值为1.71。另外，Mg 3.185 Tb 0.01 Er 0.005 Sb 1.5 Bi 0.5样品的平均杨氏模量为51.85GPa，维氏硬度为0.99GPa。在相同的测试环境下，该材料在323~723 K的温度范围内进行12次循环，平均功率因数误差范围为1.8%~2.1%，这对其在实际设备场景中的应用具有实际意义。
更新日期：2023-11-10
中文翻译：
能带工程和声子工程有效改善n型Mg3Sb2热电材料性能
Mg 3 Sb 2基热电材料可以将热和电相互转换，使其成为一类很有前途的环保材料。进一步提高电性能同时有效降低热导率是一个关键问题。本文在单一性原理计算的指导下，设计了一种基于Mg 3.2 Sb 1.5 Bi 0.5并掺杂Tb和Er的热电Zintl相。计算结果表明，使用Tb和Er作为阳离子位点掺杂剂有效提高了电性能并降低了晶格热导率。实验结果证实了共掺杂的有效性并有效增强了热电性能。Mg 3.185 Tb 0.01 Er 0.005 Sb 1.5 Bi 0.5样品获得的最大ZT值为1.71。另外，Mg 3.185 Tb 0.01 Er 0.005 Sb 1.5 Bi 0.5样品的平均杨氏模量为51.85GPa，维氏硬度为0.99GPa。在相同的测试环境下，该材料在323~723 K的温度范围内进行12次循环，平均功率因数误差范围为1.8%~2.1%，这对其在实际设备场景中的应用具有实际意义。
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