Citation: CHEN Yan-Chun, LIU Peng-Fei, CHEN Ling, WU Li-Ming. Thermoelectric Properties of Ag-doped In₄Se_2.95 Polycrystalline Compounds[J]. Chinese Journal of Structural Chemistry, ;2016, 35(12): 1868-1875. doi: 10.14102/j.cnki.0254-5861.2011-1224 shu

Thermoelectric Properties of Ag-doped In₄Se_2.95 Polycrystalline Compounds

CHEN Yan-Chun ^a,c ,
LIU Peng-Fei ^b ,
CHEN Ling ^a,b ,
WU Li-Ming ^b,*,,

a.
Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China
b.
Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China
c.
School of Physical Science and Technology, Shanghai Tech University, Shanghai 201210, China

Corresponding author: WU Li-Ming, liming_wu@fjirsm.ac.cn
Received Date: 30 March 2016

Fund Project: National Natural Science Foundation of China 91422303, 21225104, 21571020, 21233009, and 21301175

Figures(3)

In₄Se₃-based materials are noticeable n-type thermoelectric materials because of lead-free and intrinsically low lattice thermal conductivity, but the In₄Se_3-δ crystals (with Se-deficiency, δ) suffer strong anisotropy and cleavage habit. Thus the researches on polycrystalline In₄Se₃-based materials are of great importance. Herein, we experimentally and theoretically investigated the thermoelectric properties of In_4-xSe_2.95Ag_x polycrystalline compounds. Ag occupying the intercalation or In4 site is energetically most favorable in light of the density functional theory calculation. The maximum solubility of Ag (x_m) is very low (x_m<0.03) and the experimental result indicates that the electrical transport behavior of In_4-xSe_2.95Ag_x compounds is not significantly optimized by Ag-dopant. Consequently, a maximum ZT of 0.92 at 723 K is obtained by In_3.98Se_2.95Ag_0.02 compound that represents 15% enhancement over that of the un-doped one which benefits from the slightly enhanced power factor and the reduced total thermal conductivity.
- In₄Se_2.95,
- Ag doping,
- thermoelectric property
1. [1]
  Elsheikh M. H, Shnawah D. A, Sabri M. F. M, Said S. B. M, Hassan M. H, Bashir M. B. A, Mohamad M. A review on thermoelectric renewable energy: principle parameters that affect their performance[J]. Renew. Sust. Energ. Rev, 2014,30:337-355. doi: 10.1016/j.rser.2013.10.027
2. [2]
  Sales B. C. Smaller is cooler[J]. Science, 2002,295:1248-1249. doi: 10.1126/science.1069895
3. [3]
  DiSalvo F. J. Thermoelectric cooling and power generation[J]. Science, 1999,285:703-706. doi: 10.1126/science.285.5428.703
4. [4]
  Losovyj Y. B, Makinistian L, Albanesi E. A, Petukhov A. G, Liu J, Galiy P, Dveriy O. R, Dowben P. A. The anisotropic band structure of layered In4Se3 (001)[J]. J. Appl. Phys, 2008,104083713. doi: 10.1063/1.3000453
5. [5]
  Hogg J. H. C, Sutherland H. H, Williams D. J. Crystallographic evidence for the existence of the phases In4Se3 and In4Te3 which contain the homonuclear triatornic cation (In3)5+[J]. Chem. Commun, 1971:1568-1569.
6. [6]
  Rhyee J. S, Lee K. H, Lee S. M, Cho E, Kim S. II, Lee E, Kwon Y. S, Shim J. H, Kotliar G. Peierls distortion as a route to high thermoelectric performance in In4Se3-δ crystals[J]. Nature, 2009,459:965-968. doi: 10.1038/nature08088
7. [7]
  Zhai Y. B, Zhang Q. S, Jiang J, Zhang T, Xiao Y. K, Yang S. G, Xu G. J. Thermoelectric performance of the ordered In4Se3-In composite constructed by monotectic solidification[J]. J. Mater. Chem. A, 2013,1:8844-8847. doi: 10.1039/c3ta01599h
8. [8]
  Zhu G. H, Lan Y. C, Wang H, Joshi G, Chen Q, Ren Z. F. Effect of selenium deficiency on the thermoelectric properties of n-type In4Se3-x compounds[J]. Phys. Rev. B, 2011,83115201. doi: 10.1103/PhysRevB.83.115201
9. [9]
  Rhyee J. S, Cho E, Lee K. H, Lee S. M, Kim S. II, Kim H. S, Kwon Y. S, Kim S. J. Thermoelectric properties and anisotropic electronic band structure on the In4Se3-x compounds[J]. Appl. Phys. Lett, 2009,95212106. doi: 10.1063/1.3266579
10. [10]
  Kim J. H, Kim M. J, Oh S, Rhyee J. S. Thermoelectric properties of Se-deficient and Pb-/Sn-codoped In4Pb0.01Sn0.03Se3-x polycrystalline compounds[J]. J. Alloys Compd, 2014,615:933-936. doi: 10.1016/j.jallcom.2014.06.196
11. [11]
  Luo Y. B, Yang J. Y, Liu M, Xiao Y, Fu L. W, Li W. X, Zhang D, Zhang M. Y, Cheng Y. D. Multiple heteroatoms induced carrier engineering and hierarchical nanostructure for high thermoelectric performance of polycrystalline In4Se2.5[J]. J. Mater. Chem. A, 2015,3:1251-1257. doi: 10.1039/C4TA05508J
12. [12]
  Luo Y. B, Yang J. Y, Li G, Liu M, Xiao Y, Fu L. W, Li W. X, Zhu P. W, Peng J. Y, Gao S. Z, Zhang J. Q. Enhancement of the thermoelectric performance of polycrystalline In4Se2.5 by copper intercalation and bromine substitution[J]. Adv. Energy Mater, 2014,41300599. doi: 10.1002/aenm.201300599
13. [13]
  Lin Z. S, Chen L, Wang L. M, Zhao J. T, Wu L. M. A promising mid-temperature thermoelectric material candidate: Pb/Sn-codoped In4PbxSnySe3[J]. Adv. Mater, 2013,25:4800-4806. doi: 10.1002/adma.v25.34
14. [14]
  He S. H, Lin Z. X, Muhammad A. K, Liu P. F, Chen L, Wu L. M. Thermoelectric properties of Ni-substituted polycrystalline In4Se3[J]. Chin. J. Struct. Chem, 2015,34:1217-1223.
15. [15]
  Shi X, Cho J. Y, Salvador J. R, Yang J, Wang H. Thermoelectric properties of polycrystalline In4Se3 and In4Te3[J]. Appl. Phys. Lett, 2010,96162108. doi: 10.1063/1.3389494
16. [16]
  Rhyee J. S, Cho E, Ahn K, Lee K. H, Lee S. M. Thermoelectric properties of bipolar diffusion effect on In4Se3-xTex compounds[J]. Appl. Phys. Lett, 2010,97152104. doi: 10.1063/1.3493269
17. [17]
  Lim Y. S, Jeong M, Seo W. S, Lee J. H, Park C. H, Sznajder M, Kharkhalis L. Y, Bercha D. M, Yang J. Condenson state and its effects on thermoelectric properties in In4Se3[J]. J. Phys. D: Appl. Phys, 2013,46275304. doi: 10.1088/0022-3727/46/27/275304
18. [18]
  Ahn K, Cho E, Rhyee J. S, Kim S. II, Lee S. M, Lee H. K. Effect of cationic substitution on the thermoelectric properties of In4-xMxSe2.95 compounds (M = Na, Ca, Zn, Ga, Sn, Pb; x = 0.1)[J]. Appl. Phys. Lett, 2011,99102110. doi: 10.1063/1.3637053
19. [19]
  Rhyee J. S, Ahn K, Lee K. H, Ji H. S, Shim J. H. Enhancement of the thermoelectric figure-of-merit in a wide temperature range in In4Se3-xCl0.03 bulk crystals[J]. Adv. Mater, 2011,23:2191-2194. doi: 10.1002/adma.v23.19
20. [20]
  Kresse G, Furthmüller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set[J]. Phys. Rev. B, 1996,54:11169-11186. doi: 10.1103/PhysRevB.54.11169
21. [21]
  Perdew J. P, Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy[J]. Phys. Rev. B, 1992,45:13244-13249. doi: 10.1103/PhysRevB.45.13244
22. [22]
  Kresse G, Joubert D. From ultrasoft pseudopotentials to the projector augmented-wave method[J]. Phys. Rev. B, 1999,59:1758-1775.
23. [23]
  Bl?chl P. E, Jepsen O, Andersen O. K. Improved tetrahedron method for Brillouin-zone integrations[J]. Phys. Rev. B, 1994,49:16223-16233. doi: 10.1103/PhysRevB.49.16223
24. [24]
  Gibbs Z. M, Kim H. S, Wang H, Snyder G. J. Band gap estimation from temperature dependent Seebeck measurement-deviations from the 2e.S.maxTmax relation[J]. Appl. Phys. Lett, 2015,106022112. doi: 10.1063/1.4905922
25. [25]
  Goldsmid H. J, Sharp J. W. Estimation of the thermal band gap of a semiconductor from Seebeck measurements[J]. J. Electron. Mater, 1999,28:869-872. doi: 10.1007/s11664-999-0211-y
26. [26]
  Lee M. H, Kim K. R, Rhyee J. S, Park S. D, Snyder G. J. High thermoelectric figure-of-merit in Sb2Te3/Ag2Te bulk composites as Pb-free p-type thermoelectric materials[J]. J. Mater. Chem. C, 2015,3:10494-10499. doi: 10.1039/C5TC01623A
27. [27]
  Kim J. H, Kim M. J, Oh S, Rhyee J. S, Park S. D, Ahn D. Thermoelectric properties and chlorine doping effect of In4Pb0.01Sn0.03Se2.9Clx polycrystalline compounds[J]. Dalton Trans, 2015,44:3185-3189. doi: 10.1039/C4DT03432E
28. [28]
  May A. F, Toberer E. S, Saramat A, Snyder G. J. Characterization and analysis of thermoelectric transport in n-type Ba8Ga16-xGe30+x[J]. Phys. Rev. B, 2009,80125205. doi: 10.1103/PhysRevB.80.125205
1. [1]
  HE Su-Hua , LIN Zi-Xiong , Muhammad Ali Khan , LIU Peng-Fei , CHEN Ling , WU Li-Ming . Thermoelectric Properties of Ni-substituted Polycrystalline In₄Se₃. Chinese Journal of Structural Chemistry, 2015, 34(8): 1217-1223. doi: 10.14102/j.cnki.0254-5861.2011-0719
2. [2]
  ZHAO Xiao-Chuan , SUN Bao-Zhen , HE Chao , MA Zu-Ju , LI Qiao-Hong , WU Ke-Chen . Thermoelectric Properties of the CuGaTe₂ Crystal from First-principles Calculations:the Role of Doping and Temperature. Chinese Journal of Structural Chemistry, 2014, 33(10): 1431-1435.
3. [3]
  Cheng Ying-Zhi , Sun Xiu-Yu , Xiao Xiao-Ling , Liu Xiang-Feng , Xue Li , Hu Zhong-Bo . Effects of doping Fe cations on crystal structure and thermal expansion property of Yb₂Mo₃O₁₂. Chinese Chemical Letters, 2017, 28(7): 1600-1606. doi: 10.1016/j.cclet.2017.03.002
4. [4]
  XU Ling-Yun , MEI Xiao , YAN Chun-Hui . Synthesis, Crystal Structure and Photoluminescence Property of Ag(I) with N, N-dimethyl-4-(pyridine-4-yldiazenyl)aniline. Chinese Journal of Structural Chemistry, 2016, 35(3): 355-360. doi: 10.14102/j.cnki.0254-5861.2011-0868
5. [5]
  WANG Ji-Jiang , TANG Long , HOU Xiang-Yang , GAO Lou-Jun , FU Feng , ZHANG Mei-Li . Synthesis, Structure and Electrochemical Property of a New 3D Ag(Ⅰ) Coordination Polymer Constructed by Biphenyl-2,2',4,4'-tetracarboxylate. Chinese Journal of Structural Chemistry, 2014, 33(5): 729-734.
6. [6]
  XU Cheng-zhi , ZHENG Mei-qin , CHEN Keng , HU Hui , CHEN Xiao-hui . CeO_x doping on a TiO₂-SiO₂ supporter enhances Ag based adsorptive desulfurization for diesel. Journal of Fuel Chemistry and Technology, 2016, 44(08): 943-953.
7. [7]
  WU Hao , WANG Yuan , ZHANG Ling , KANG Rui-Fang , WU Wei-Na . Synthesis, Crystal Structure and DNA-Binding Property of Ag(Ⅰ) Complex with 1-(3-Ethylpyrazin-2-yl)ethylidene-4-phenylsemicarbazide. Chinese Journal of Inorganic Chemistry, 2018, 34(6): 1137-1142. doi: 10.11862/CJIC.2018.108
8. [8]
  XIN Xiao-Dong , WEI Heng-Wei , ZHAO Wen-Hui , LIU Zhong-Shi , LI Wen-Xian , JIAO Huan , JING Xi-Ping . Doping and Replacing Effects on the Luminescent Properties of SrAl₁₂O₁₉:Mn⁴⁺ Red Phosphor. Chinese Journal of Inorganic Chemistry, 2016, 32(7): 1199-1206. doi: 10.11862/CJIC.2016.169
9. [9]
  Hua Zhengshen , Zhang Xin , Feng Xiaojing , Wang Xiaoran , He Jun , Wang Xin , Peng Huifen . Improved electrochemical properties in the Li₃Fe₂(PO₄)₃ by titanium and vanadium doping. Chinese Chemical Letters, 2019, 30(3): 792-796. doi: 10.1016/j.cclet.2018.11.004
10. [10]
  LU Jiu-Fu , SHI Juan , ZHENG Nan , GUO Xiao-Hua , GE Hong-Guang . Synthesis, Crystal Structure and Luminescent Property of a Ag(Ι) Coordination Polymer with a 3D Sandwich-like Framework. Chinese Journal of Structural Chemistry, 2016, 35(2): 319-325. doi: 10.14102/j.cnki.0254-5861.2011-0814
11. [11]
  LU Jiu-Fu , SHI Juan , ZHENG Nan , GUO Xiao-Hua , GE Hong-Guang . Synthesis, Crystal Structure and Luminescent Property of a Ag(Ι) Coordination Polymer with a 3D Sandwich-like Framework. Chinese Journal of Structural Chemistry, 2016, 35(2): 319-325. doi: 10.14102/j.cnki.0254-5861.2011-0814
12. [12]
  CHENG Lin , YANG Jing-Hua , ZHAI Qing-Chao , ZHANG Qing-Song . A Chiral Ag(Ⅰ) Coordination Polymer Based on an α, α-L-Diaryl Prolinol-Pyridine Derivative: Circular Dichroism, SHG Response and Luminescent Property. Chinese Journal of Inorganic Chemistry, 2020, 36(2): 361-367. doi: 10.11862/CJIC.2020.013
13. [13]
  LU Jiu-Fu , GE Hong-Guang , SHI Juan . Synthesis, Crystal Structure and Fluorescence Property of the Ag(Ⅰ) Coordination Polymer Constructed by 21D [Ag(1,3-BIP)(PMA)_0.5]_n^n- Layers and 1D [Ag(1,3-BIP)(H₂O)]_nⁿ⁺ Chains. Chinese Journal of Structural Chemistry, 2015, 34(8): 1259-1264. doi: 10.14102/j.cnki.0254-5861.2011-0612
14. [14]
  HAN Zhi-Zhong , WEI Li-Yuan , GUO Ye , PAN Hai-Bo , CHEN Jian-Zhong , CHEM Nai-Sheng . Synthesis and Photovoltaic Charateristics of Ag-Ag₂Se Sensitized ZnO Flower-Rod Heterostructures. Chinese Journal of Inorganic Chemistry, 2013, 29(9): 1856-1862. doi: 10.3969/j.issn.1001-4861.2013.00.247
15. [15]
  YE Shi-Yong , BAN Hui-Zhao , LI Min , SHSO Ming-Wang , YE Yin , PAN Shi-Yan . Synthesis of Ternary Compounds Cu_0.8Ag_1.2S and Cu_0.5Ag_1.5Se with High Crystallinity at Room Temperature and Characterization with XPS. Chinese Journal of Applied Chemistry, 2008, 25(9): 1101-1103.
16. [16]
  Wan Xi CHEN , Zhu De XU , Wen Zhu LI . PHOTOCONDUCTIVITY OF ZINC PHTHALOCYANINE BY C₆₀ DOPING. Chinese Chemical Letters, 1995, 6(5): 429-432.
17. [17]
  Yue Hua CHEN , Bao Fang JIN , Ping WANG , Guo Lin GUO . INFLUENCE OF DOPING COMPONENT ON THE SOL-GEL PROCESS. Chinese Chemical Letters, 1995, 6(6): 527-530.
18. [18]
  Hong Jin DUAN , Hong Ju FANG , Yan Qing XU , Tong Hui ZHOU , Hua CHI , Yun WU , You Xuan XU . Analysis of Beta-blockers in Doping Control. Chinese Chemical Letters, 1990, 1(3): 231-234.
19. [19]
  U. Kurtan , Md. Amir , A. Baykal . A Fe₃O₄@Nico@Ag nanocatalyst for the hydrogenation of nitroaromatics. Chinese Journal of Catalysis, 2015, 36(5): 705-711. doi: 10.1016/S1872-2067(14)60316-8
20. [20]
  Qing Long JIANG , Xiang Kai FU , Zhu Jun CHEN . The Synthesis of 1-Ethyl-1'-(4-vinylbenzyl)-4, 4'-bipyridinium Chloride and Iodide and its Electrochromic Property. Chinese Chemical Letters, 2006, 17(11): 1447-1450.

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(2585)
HTML views(60)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Thermoelectric Properties of Ag-doped In4Se2.95 Polycrystalline Compounds

Metrics

通讯作者: 陈斌, bchen63@163.com

Thermoelectric Properties of Ag-doped In₄Se_2.95 Polycrystalline Compounds