Improved Thermoelectric Performance of Cu12Sb4S13 through Gd-Substitution Induced Enhancement of Electronic Density of States and Phonon Scattering

被引:28
作者
Zhu, Chen [1 ,2 ]
Chen, Quan [1 ,3 ]
Ming, Hongwei [1 ,2 ]
Qin, Xiaoying [1 ]
Yang, Yong [1 ]
Zhang, Jian [1 ]
Peng, Di [1 ,2 ]
Chen, Tao [1 ,2 ]
Li, Di [1 ]
Kawazoe, Yoshiyuki [4 ,5 ,6 ]
机构
[1] Chinese Acad Sci, Inst Solid State Phys, Key Lab Photovolta & Energy Conservat Mat, HFIPS, Hefei 230031, Peoples R China
[2] Univ Sci & Technol China, Hefei 230026, Peoples R China
[3] Anhui Univ, Hefei 230601, Peoples R China
[4] Tohoku Univ, New Ind Creat Hatchery Ctr, Sendai, Miyagi 9808577, Japan
[5] SRM Inst Sci & Technol, Dept Phys & Nanotechnol, Kattankulathur 603203, Tamil Nadu, India
[6] Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand
基金
中国国家自然科学基金;
关键词
thermoelectric performance; rare earth element; density of states; power factor; figure of merit; LATTICE THERMAL-CONDUCTIVITY; TETRAHEDRITES; FIGURE; MERIT; STABILITY; NICKEL;
D O I
10.1021/acsami.1c03493
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Cu12Sb4S13 has aroused great interest because of its earth-abundant constituents and intrinsic low thermal conductivity. However, the applications of Cu12Sb4S13 are hindered by its poor thermoelectric performance. Herein, it is shown that Gd substitution not only causes a significant increase in both electrical conductivity sigma and thermopower S but also leads to dramatic drop in lattice thermal conductivity kappa(L). Consequently, large ZT reaches 0.94 at 749 K for Cu11.7Gd0.3Sb4S13, which is similar to 41% higher than the ZT value of undoped sample. Rietveld refinements of XRD results show that accompanying inhibition of impurity phase Cu3SbS4, the number of Cu vacancies increases substantially with substituted content x (x <= 0.3), which leads to reduced kappa(L) owing to intensive phonon scattering by the point defects and increased sigma arising from the charged defects (V-Cu'). Crucially, synchrotron radiation photoelectron spectroscopy reveals substantial increment of electronic density of states at Fermi level upon Gd substitution, which is proven, by our first-principle calculations, to originate from contribution of Gd 4f orbit, resulting in enhancement of S. Our study provides us with a new path to enhance thermoelectric performance of Cu12Sb4S13.
引用
收藏
页码:25092 / 25101
页数:10
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