Strain-mediated point defects in thermoelectric p-type bismuth telluride polycrystalline

被引:42
作者
Kim, Kyung Tae [1 ]
Min, Tae Sik [1 ]
Kim, Sung-Dae [1 ]
Choi, Eun-Ae [1 ]
Kim, Dong Won [1 ]
Choi, Si-Young [1 ,2 ]
机构
[1] Korea Inst Mat Sci, 797 Changwondaero, Chang Won 51508, Gyeongnam, South Korea
[2] Pohang Univ Sci & Technol, 77 Cheongnam Ro, Pohang 37673, South Korea
关键词
Thermoelectrics; Point defect; Strain; Microstructure; DFT calculation; THERMAL-CONDUCTIVITY; PERFORMANCE; BULK; FIGURE; MERIT; NANOCOMPOSITES; ENHANCEMENT; FIELDS; BI2TE3;
D O I
10.1016/j.nanoen.2018.10.069
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Intensive efforts to engineer the microstructures of materials by utilizing atomic-scale defects have been made to overcome the current limitation on physical properties such as thermoelectric energy conversion performance levels (ZT). Here, we report that (i) internally dispersed strains are generated by a nano-diamond (ND) inserted into polycrystalline Bi-Sb-Te (BST) alloys, which thereby create point-defects clustered zones (PDZs) around the ND/BST interface; (ii) a local strain field is also generated, wherein many point defects are intensified; (iii) locally-strained interfaces result in an increase of the hole carrier concentration caused by the formation of cationic defects. From these results, strain-mediated point defects in ND particle-dispersed BST matrix (ND/BST) composites are assessed as artificial nanostructures, which can independently control transport properties of carriers and phonons. Our findings open new avenues for design and applications of favorable atomic-defect-structures in the area of energy or electronic materials through a classical solid-state sintering method.
引用
收藏
页码:486 / 493
页数:8
相关论文
共 50 条
[1]   A review on the enhancement of figure of merit from bulk to nano-thermoelectric materials [J].
Alam, Hilaal ;
Ramakrishna, Seeram .
NANO ENERGY, 2013, 2 (02) :190-212
[2]  
Aschcroft N. W., 1976, SOLID STATE PHYS
[3]   PROJECTOR AUGMENTED-WAVE METHOD [J].
BLOCHL, PE .
PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979
[4]   The Influence of Anisotropy and Nanoparticle Size Distribution on the Lattice Thermal Conductivity and the Thermoelectric Figure of Merit of Nanostructured (Bi,Sb)2Te3 [J].
Bulat, L. P. ;
Drabkin, I. A. ;
Karatayev, V. V. ;
Osvenskii, V. B. ;
Parkhomenko, Yu. N. ;
Pshenay-Severin, D. A. ;
Sorokin, A. I. .
JOURNAL OF ELECTRONIC MATERIALS, 2014, 43 (06) :2121-2126
[5]   EFFECT OF POINT IMPERFECTIONS ON LATTICE THERMAL CONDUCTIVITY [J].
CALLAWAY, J ;
VONBAEYER, HC .
PHYSICAL REVIEW, 1960, 120 (04) :1149-1154
[6]  
Choi S., 2004, ACTA MAT, V52
[7]   Effect of vacancies on the thermoelectric properties of Mg2Si1-xSbx (0 ≤ x ≤ 0.1) [J].
Dasgupta, T. ;
Stiewe, C. ;
Hassdorf, R. ;
Zhou, A. J. ;
Boettcher, L. ;
Mueller, E. .
PHYSICAL REVIEW B, 2011, 83 (23)
[8]   First-principles density functional theory study of native point defects in Bi2Te3 [J].
Hashibon, Adham ;
Elsaesser, Christian .
PHYSICAL REVIEW B, 2011, 84 (14)
[9]   Recent development and application of thermoelectric generator and cooler [J].
He, Wei ;
Zhang, Gan ;
Zhang, Xingxing ;
Ji, Jie ;
Li, Guiqiang ;
Zhao, Xudong .
APPLIED ENERGY, 2015, 143 :1-25
[10]   Fully unconstrained noncollinear magnetism within the projector augmented-wave method [J].
Hobbs, D ;
Kresse, G ;
Hafner, J .
PHYSICAL REVIEW B, 2000, 62 (17) :11556-11570