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Title: Electrical and thermal transport properties of layered Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2}

Abstract

Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} possesses a low thermal conductivity and high electrical conductivity at room temperature, which was considered as a potential thermoelectric material. In this work, we have investigated the electrical and thermal transport properties of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system in the temperature range from 300 K to 873 K. We found that the total thermal conductivity decreases from ~1.8 W m{sup −1} K{sup −1} to ~0.9 W m{sup −1} K{sup −1}, and the electrical conductivity decreases from ~850 S/cm to ~163 S/cm in the measured temperature range. To investigate how potential of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system, we prepared the heavily Iodine doped samples to counter-dope intrinsically high carrier concentration and improve the electrical transport properties. Interestingly, the Seebeck coefficient could be enhanced to ~+80 μV/K at 873 K, meanwhile, we found that a low thermal conductivity of ~0.7 W m{sup −1} K{sup −1} could be achieved. The intrinsically low thermal conductivity in this system is related to the low elastic properties, such as Young's modulus of 70–72 GPa, and Grüneisen parameters of 1.55–1.71. The low thermal conductivity makes Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system to be a potential thermoelectric material, the ZT valuemore » ~0.06 at 873 K was obtained, a higher performance is expected by optimizing electrical transport properties through selecting suitable dopants, modifying band structures or by further reducing thermal conductivity through nanostructuring etc. - Highlights: • The total thermal conductivity decreases from 1.8 to 0.9 Wm{sup –1}K{sup –1} at 300–873K. • The electrical conductivity decreased from 850 to 163 S/cm at 300–873K. • The Seebeck coefficients were enhanced through heavily Iodine doping. • The ZT ~0.06 at 873K suggests that Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} systems are potential thermoelectrical materials.« less

Authors:
; ; ;  [1];  [2];  [3];  [1];  [2];  [3];  [1]
  1. School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)
  2. State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China)
  3. Department of Physics, South University of Science and Technology of China, Shenzhen 518055 (China)
Publication Date:
OSTI Identifier:
22584159
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 239; Other Information: Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BISMUTH COMPLEXES; COPPER COMPLEXES; DOPED MATERIALS; ELASTICITY; ELECTRIC CONDUCTIVITY; IODINE; NANOSTRUCTURES; PERFORMANCE; PRESSURE RANGE GIGA PA; SELENIUM COMPLEXES; TEMPERATURE RANGE 0273-0400 K; THERMAL CONDUCTIVITY; THERMOELECTRIC MATERIALS

Citation Formats

Xiao, Yu, Pei, Yanling, Chang, Cheng, Zhang, Xiao, Tan, Xing, Ye, Xinxin, Gong, Shengkai, Lin, Yuanhua, He, Jiaqing, and Zhao, Li-Dong, E-mail: zhaolidong@buaa.edu.cn. Electrical and thermal transport properties of layered Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2}. United States: N. p., 2016. Web. doi:10.1016/J.JSSC.2016.03.032.
Xiao, Yu, Pei, Yanling, Chang, Cheng, Zhang, Xiao, Tan, Xing, Ye, Xinxin, Gong, Shengkai, Lin, Yuanhua, He, Jiaqing, & Zhao, Li-Dong, E-mail: zhaolidong@buaa.edu.cn. Electrical and thermal transport properties of layered Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2}. United States. doi:10.1016/J.JSSC.2016.03.032.
Xiao, Yu, Pei, Yanling, Chang, Cheng, Zhang, Xiao, Tan, Xing, Ye, Xinxin, Gong, Shengkai, Lin, Yuanhua, He, Jiaqing, and Zhao, Li-Dong, E-mail: zhaolidong@buaa.edu.cn. Fri . "Electrical and thermal transport properties of layered Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2}". United States. doi:10.1016/J.JSSC.2016.03.032.
@article{osti_22584159,
title = {Electrical and thermal transport properties of layered Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2}},
author = {Xiao, Yu and Pei, Yanling and Chang, Cheng and Zhang, Xiao and Tan, Xing and Ye, Xinxin and Gong, Shengkai and Lin, Yuanhua and He, Jiaqing and Zhao, Li-Dong, E-mail: zhaolidong@buaa.edu.cn},
abstractNote = {Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} possesses a low thermal conductivity and high electrical conductivity at room temperature, which was considered as a potential thermoelectric material. In this work, we have investigated the electrical and thermal transport properties of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system in the temperature range from 300 K to 873 K. We found that the total thermal conductivity decreases from ~1.8 W m{sup −1} K{sup −1} to ~0.9 W m{sup −1} K{sup −1}, and the electrical conductivity decreases from ~850 S/cm to ~163 S/cm in the measured temperature range. To investigate how potential of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system, we prepared the heavily Iodine doped samples to counter-dope intrinsically high carrier concentration and improve the electrical transport properties. Interestingly, the Seebeck coefficient could be enhanced to ~+80 μV/K at 873 K, meanwhile, we found that a low thermal conductivity of ~0.7 W m{sup −1} K{sup −1} could be achieved. The intrinsically low thermal conductivity in this system is related to the low elastic properties, such as Young's modulus of 70–72 GPa, and Grüneisen parameters of 1.55–1.71. The low thermal conductivity makes Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system to be a potential thermoelectric material, the ZT value ~0.06 at 873 K was obtained, a higher performance is expected by optimizing electrical transport properties through selecting suitable dopants, modifying band structures or by further reducing thermal conductivity through nanostructuring etc. - Highlights: • The total thermal conductivity decreases from 1.8 to 0.9 Wm{sup –1}K{sup –1} at 300–873K. • The electrical conductivity decreased from 850 to 163 S/cm at 300–873K. • The Seebeck coefficients were enhanced through heavily Iodine doping. • The ZT ~0.06 at 873K suggests that Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} systems are potential thermoelectrical materials.},
doi = {10.1016/J.JSSC.2016.03.032},
journal = {Journal of Solid State Chemistry},
number = ,
volume = 239,
place = {United States},
year = {Fri Jul 15 00:00:00 EDT 2016},
month = {Fri Jul 15 00:00:00 EDT 2016}
}
  • The crystal structure, electronic, magnetic properties and inter-atomic bonding in recently synthesized five-component Fe-containing oxychalcogenides Ca{sub 4}Fe{sub 2}Cu{sub 2}Ch{sub 2}O{sub 6}, where Ch are S or Se, which unlike all other related materials contain Fe atoms in 2D perovskite-like oxide blocks (Ca{sub 4}Fe{sub 2}O{sub 6}), were probed by means of first-principle FLAPW-GGA calculations. We found that these materials can be characterized as antiferromagnetic ionic semiconductors, composed of alternating non-magnetic chalcogenide blocks (Cu{sub 2}Ch{sub 2}) and antiferromagnetic oxide blocks (Ca{sub 4}Fe{sub 2}O{sub 6}) with S-AFM spin configuration for Fe sublattice; the interaction between these building blocks is ionic. Moreover, our resultsmore » reveal that for these materials the formation of 'natural multiple quantum wells' can be expected - like it has been found for more simple four-component LnCuOCh phases. This feature (unique for five-component Fe-containing phases) originates from 2D density of states and quantum size effects in these layered materials. - Graphical abstract: The scheme of energy band structures for Ca{sub 4}Fe{sub 2}Cu{sub 2}S{sub 2}O{sub 6} in the near-Fermi region. The band gap values are given. Highlights: Black-Right-Pointing-Pointer Very recently the new oxychalcogenides Ca{sub 4}Fe{sub 2}Cu{sub 2}Ch{sub 2}O{sub 6} were synthesized. Black-Right-Pointing-Pointer Electronic, magnetic properties for these phases were probed from first principles. Black-Right-Pointing-Pointer These materials are characterized as antiferromagnetic ionic semiconductors. Black-Right-Pointing-Pointer For these materials the 'natural multiple quantum wells' are predicted. Black-Right-Pointing-Pointer Bonding includes ionic and covalent contributions and is highly anisotropic.« less
  • The system CoIn{sub 2}S{sub 4x}Se{sub 4(1-x)} has been investigated by X-ray powder methods on samples quenched at 700 deg. C. The spinel type phase has a phase width of 1{>=}x>0.9. A new layered compound is formed for 0.9>x>0.45 which crystallizes with the {alpha}-FeGa{sub 2}S{sub 4}-type with a=392.6 pm and c=1270.3 pm (x=0.5) for the hexagonal cell. Platelike crystals of the layered phase are obtained by transport reactions with iodine in a temperature gradient 750{yields}700 deg. C. The band gaps of these crystals measured by optical absorption vary from 1.2 to 1.4 eV. The electrical conductivities of the crystals are foundmore » in the order of 10{sup -5} {omega}{sup -1} cm{sup -1}.« less
  • The reaction of InCl[sub 3] with Na[sub 2]Se[sub 5] in dimethylformamide (DMF) in the presence of Ph[sub 4]PCl gave (Ph[sub 4]P)[sub 4][In[sub 2](Se[sub 4])[sub 4](Se[sub 5])] (I) in 75% yield. Under the same conditions, InCl[sub 3] reacted with Na[sub 2]Se[sub 5] in the presence of Pr[sub 4]NBr or Et[sub 4]NBr and afforded (Pr[sub 4]N)[sub 4][In[sub 2](Se[sub 4])[sub 4](Se[sub 5])] (II) in 65% yield and (Et[sub 4]N)[sub 4][In[sub 2](Se[sub 4])[sub 4](Se[sub 5])] (III) in 72% yield, respectively. Single-crystal X-ray diffraction studies show that (I), (II), and (III) contain the same anion, [In[sub 2](Se[sub 4])[sub 4](Se[sub 5])][sup 4[minus]]. The anion consists ofmore » In[sup 3+] centers in trigonal bipyramidal coordination; each In atom is chelated by two bidentate Se[sub 4][sup 2[minus]] ligands forming a [In(Se[sub 4])[sub 2]][sup [minus]] unit. Two of these [In(Se[sub 4])[sub 2]][sup [minus]] units are bridged by an Se[sub 5][sup 2[minus]] chain forming a dimer. The hydrothermal reaction of InCl[sub 3] with Na[sub 2]Se[sub 4] in the presence of Pr[sub 4]NBr and water at 110[degrees]C for 3 days in an evacuated sealed Pyrex tube afforded deep red crystals of (Pr[sub 4]N)[sub 2][In[sub 2]Se[sub 2](Se[sub 4])[sub 2]] (IV), in 80% yield. Under the same conditions the reaction with [(Ph[sub 3]P)[sub 2]N]Cl yields [(Ph[sub 3]P)[sub 2]N][sub 2][In[sub 2]Se[sub 2](Se[sub 4])[sub 2]] (V) in 60% yield. Single-crystal X-ray diffraction studies show that (IV) and (V) contain the same binuclear anion [In[sub 2]Se[sub 2](Se[sub 4])[sub 2]][sup 2[minus]]. The reaction of InCl[sub 3] with Na[sub 2]Se[sub 5] in 1:2 mole ratio in acetonitrile in the presence of Et[sub 4]NBr afforded (Et[sub 4]N)[sub 3][In[sub 3]Se[sub 3](Se[sub 4])[sub 3]] (VI). Similar reaction of TlCl with Na[sub 2]Se[sub 5] in 1:2 mole ratio in DMF in the presence of Et[sub 4]NBr gave (Et[sub 4]N)[sub 3][Tl[sub 3]Se[sub 3](Se[sub 4])[sub 3]] (VII). 57 refs., 13 figs., 14 tabs.« less
  • The new quaternary selenophosphate phases AMP{sub 2}Se{sub 6} (A=Cu, Ag and M=Bi, Sb) were synthesized by ceramic methods at 1023 K. These phases were characterized by powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), energy dispersive X-ray analysis (EDX) and a.c. and d.c. electrical conductivity measurements. The phases all show values of electrical conductivity, {sigma}, of about 10{sup -4} {omega}{sup -1} cm{sup -1} at 303 K and photoconductive effect. The conductivity is nearly five orders of magnitude larger than that of related phases.