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Title: Synthesis, crystal structure and thermoelectric properties of a new carbide Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}

Abstract

A new quaternary layered carbide, Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}, has been synthesized and characterized by X-ray powder diffraction, transmission electron microscopy and thermopower and electrical conductivity measurements. The crystal structure was successfully determined using direct methods, and further refined by the Rietveld method. The crystal is trigonal (space group R3m, Z=3) with lattice dimensions of a=0.331059(5), c=4.09450(5) nm and V=0.38864(1) nm{sup 3}. The final reliability indices calculated from the Rietveld refinement were R {sub wp}=6.24%, R {sub p}=4.21% and R {sub B}=0.82%. The crystal structure is composed of electroconductive NaCl-type ZrC slabs separated by Al{sub 4}C{sub 3}-type [Al{sub 3.56}Si{sub 0.44}]C{sub 3} layers. This material had thermoelectric properties superior to those of the ternary layered carbides Zr{sub 2}Al{sub 3}C{sub 4} and Zr{sub 3}Al{sub 3}C{sub 5}, with the power factor reaching 7.6x10{sup -5}W m{sup -1} K{sup -2}. - Graphical abstract: Crystal structure of a new layered carbide, Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}.

Authors:
 [1];  [1];  [1];  [1];  [2]
  1. Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan)
  2. National Institute of Advanced Industrial Science and Technology (AIST), Nagoya 463-8560 (Japan)
Publication Date:
OSTI Identifier:
21015841
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 180; Journal Issue: 6; Other Information: DOI: 10.1016/j.jssc.2007.04.004; PII: S0022-4596(07)00137-5; Copyright (c) 2007 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALUMINIUM CARBIDES; CRYSTALS; ELECTRIC CONDUCTIVITY; LAYERS; SILICON COMPOUNDS; SPACE GROUPS; SYNTHESIS; THERMOELECTRIC PROPERTIES; TRANSMISSION ELECTRON MICROSCOPY; TRIGONAL LATTICES; X-RAY DIFFRACTION; ZIRCONIUM CARBIDES

Citation Formats

Fukuda, Koichiro, Hisamura, Miyuki, Iwata, Tomoyuki, Tera, Nobuyuki, and Sato, Kimiyasu. Synthesis, crystal structure and thermoelectric properties of a new carbide Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}. United States: N. p., 2007. Web. doi:10.1016/j.jssc.2007.04.004.
Fukuda, Koichiro, Hisamura, Miyuki, Iwata, Tomoyuki, Tera, Nobuyuki, & Sato, Kimiyasu. Synthesis, crystal structure and thermoelectric properties of a new carbide Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}. United States. https://doi.org/10.1016/j.jssc.2007.04.004
Fukuda, Koichiro, Hisamura, Miyuki, Iwata, Tomoyuki, Tera, Nobuyuki, and Sato, Kimiyasu. 2007. "Synthesis, crystal structure and thermoelectric properties of a new carbide Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}". United States. https://doi.org/10.1016/j.jssc.2007.04.004.
@article{osti_21015841,
title = {Synthesis, crystal structure and thermoelectric properties of a new carbide Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}},
author = {Fukuda, Koichiro and Hisamura, Miyuki and Iwata, Tomoyuki and Tera, Nobuyuki and Sato, Kimiyasu},
abstractNote = {A new quaternary layered carbide, Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}, has been synthesized and characterized by X-ray powder diffraction, transmission electron microscopy and thermopower and electrical conductivity measurements. The crystal structure was successfully determined using direct methods, and further refined by the Rietveld method. The crystal is trigonal (space group R3m, Z=3) with lattice dimensions of a=0.331059(5), c=4.09450(5) nm and V=0.38864(1) nm{sup 3}. The final reliability indices calculated from the Rietveld refinement were R {sub wp}=6.24%, R {sub p}=4.21% and R {sub B}=0.82%. The crystal structure is composed of electroconductive NaCl-type ZrC slabs separated by Al{sub 4}C{sub 3}-type [Al{sub 3.56}Si{sub 0.44}]C{sub 3} layers. This material had thermoelectric properties superior to those of the ternary layered carbides Zr{sub 2}Al{sub 3}C{sub 4} and Zr{sub 3}Al{sub 3}C{sub 5}, with the power factor reaching 7.6x10{sup -5}W m{sup -1} K{sup -2}. - Graphical abstract: Crystal structure of a new layered carbide, Zr{sub 2}[Al{sub 3.56}Si{sub 0.44}]C{sub 5}.},
doi = {10.1016/j.jssc.2007.04.004},
url = {https://www.osti.gov/biblio/21015841}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 6,
volume = 180,
place = {United States},
year = {Fri Jun 15 00:00:00 EDT 2007},
month = {Fri Jun 15 00:00:00 EDT 2007}
}