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Title: The effects of bismuth intercalation on structure and thermal conductivity of TiS{sub 2}

Abstract

The structure and thermal conductivity of the bismuth (Bi) intercalated compounds Bi {sub x}TiS{sub 2} (0 {<=} x {<=} 0.25) were investigated by using X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and thermal conductivity measurements. The results indicated that besides lattice expansion and distortion, bismuth intercalation caused structural transition of Bi {sub x}TiS{sub 2} from stage-1 to stage-2 as x {>=} {approx}0.1, which led to the appearance of D{sub 4} and A{sub 2} modes in Raman spectra. The enhancement of relative intensities of D{sub 4} and A{sub 2} peaks with increasing Bi content reflected increase of the concentration of stage-2 phase in the samples. The red shift of mode E{sub g} as well as D{sub 4} and A{sub 2} would reflect weakening of intra-layer bonds, while the blue shift of A{sub 1g} after intercalation suggested the enhancement of chemical binding in the van der Waals gaps due to charge transfer. In addition, the weakening of A{sub 1g} intensity can be explained by the lattice distortion produced by bismuth intercalation. Remarkable reduction in (lattice) thermal conductivity of titanium disulfide (TiS{sub 2}) through Bi intercalation was realized, which could be attributed to the phonon scattering by 'rattling' of the intercalatedmore » bismuth atoms in the van der Waals gaps of TiS{sub 2}.« less

Authors:
 [1];  [2];  [1]
  1. Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, 230031 Hefei (China)
  2. Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, 230031 Hefei (China). E-mail: xyqin@issp.ac.cn
Publication Date:
OSTI Identifier:
20891619
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Research Bulletin; Journal Volume: 41; Journal Issue: 2; Other Information: DOI: 10.1016/j.materresbull.2005.08.025; PII: S0025-5408(05)00328-4; Copyright (c) 2005 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:
36 MATERIALS SCIENCE; BISMUTH; DISULFIDES; RAMAN SPECTRA; RAMAN SPECTROSCOPY; RED SHIFT; THERMAL CONDUCTIVITY; TITANIUM; TITANIUM SULFIDES; VAN DER WAALS FORCES; X-RAY DIFFRACTION; X-RAY PHOTOELECTRON SPECTROSCOPY

Citation Formats

Li, D., Qin, X.Y., and Gu, Y.J. The effects of bismuth intercalation on structure and thermal conductivity of TiS{sub 2}. United States: N. p., 2006. Web. doi:10.1016/j.materresbull.2005.08.025.
Li, D., Qin, X.Y., & Gu, Y.J. The effects of bismuth intercalation on structure and thermal conductivity of TiS{sub 2}. United States. doi:10.1016/j.materresbull.2005.08.025.
Li, D., Qin, X.Y., and Gu, Y.J. Thu . "The effects of bismuth intercalation on structure and thermal conductivity of TiS{sub 2}". United States. doi:10.1016/j.materresbull.2005.08.025.
@article{osti_20891619,
title = {The effects of bismuth intercalation on structure and thermal conductivity of TiS{sub 2}},
author = {Li, D. and Qin, X.Y. and Gu, Y.J.},
abstractNote = {The structure and thermal conductivity of the bismuth (Bi) intercalated compounds Bi {sub x}TiS{sub 2} (0 {<=} x {<=} 0.25) were investigated by using X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and thermal conductivity measurements. The results indicated that besides lattice expansion and distortion, bismuth intercalation caused structural transition of Bi {sub x}TiS{sub 2} from stage-1 to stage-2 as x {>=} {approx}0.1, which led to the appearance of D{sub 4} and A{sub 2} modes in Raman spectra. The enhancement of relative intensities of D{sub 4} and A{sub 2} peaks with increasing Bi content reflected increase of the concentration of stage-2 phase in the samples. The red shift of mode E{sub g} as well as D{sub 4} and A{sub 2} would reflect weakening of intra-layer bonds, while the blue shift of A{sub 1g} after intercalation suggested the enhancement of chemical binding in the van der Waals gaps due to charge transfer. In addition, the weakening of A{sub 1g} intensity can be explained by the lattice distortion produced by bismuth intercalation. Remarkable reduction in (lattice) thermal conductivity of titanium disulfide (TiS{sub 2}) through Bi intercalation was realized, which could be attributed to the phonon scattering by 'rattling' of the intercalated bismuth atoms in the van der Waals gaps of TiS{sub 2}.},
doi = {10.1016/j.materresbull.2005.08.025},
journal = {Materials Research Bulletin},
number = 2,
volume = 41,
place = {United States},
year = {Thu Feb 02 00:00:00 EST 2006},
month = {Thu Feb 02 00:00:00 EST 2006}
}
  • The lanthanide (L) intercalation compounds Eu/sub x/TiS/sub 2/ (x = 0.007, 0.014, and 0.066) and Yb/sub x/TiS/sub 2/ (x = 0.060) have been synthesized by thermal deintercalation of NH/sub 4//sup +/ and NH/sub 3/ from the corresponding L-NH/sub 3/ precursors at 270/sup 0/C and characterized by thermogravimetric analysis, powder X-ray diffraction, and SQUID magnetometry. Both L/sup 2+/ and L/sup 3+/ are present in the van der Waals gap, and the deintercalation process is accompanied by the conversion of some of the L/sup 3+/ to L/sup 2+/. The resulting compounds contain comparable concentrations of L/sup 2+/ and L/sup 3+/. Magnetic exchangemore » interactions are negligible due to the low concentrations of lanthanide cations.« less
  • We compare the concentration dependence of stage-1 package thicknesses for the intercalation compound families Li/sub x/C/sub 6/ and Li/sub x/TiS/sub 2/ in order to study the influence of host elastic properties on staging. In both families the data suggest that local host-layer distortions around isolated intercalates are important, an elastic model based on rigid layers giving a poor fit. The decay lengths for local distortions are 5 and 7 A, respectively, for graphite and TiS/sub 2/. We argue that a more concentrated strain field associated with the smaller decay length gives rise to a larger value of U/sub 0/, themore » effective in-plane two-body attractive potential, for Li in graphite relative to TiS/sub 2/. This in turn explains qualitatively why Li/sub x/C/sub 6/ exhibits high stages at 300 K for various x while Li/sub x/TiS/sub 2/ is restricted to stage 1.« less
  • In the last decade there has been considerable activity in research and development of rechargeable lithium-ion batteries. The cubic spinel structures, TiS{sub 2} and LiTi{sub 2}S{sub 4}, have been fully optimized using the full-potential linearized augmented-plane-wave (LAPW) method. The comparison between band structures of TiS{sub 2} and LiTi{sub 2}S{sub 4} and the analogous oxide structures indicates that bonding in sulfides is more covalent. Bonding of both sulfides and oxides becomes more ionic after Li intercalation. The calculated average intercalation voltage of 2.16 eV (LiTi{sub 2}S{sub 4}) and 2.93 eV (LiTi{sub 2}O{sub 4}) is in good agreement with experimental data. Themore » higher voltage of oxide is due to the larger change of enthalpy of formation between reactants and products.« less
  • The high temperature Na/Na/sub 5/ErSi/sub 4/O/sub 12//TiS/sub 2/ cell has been constructed and its electrochemical properties have been investigated. At 125/degree/C, the open-circuit voltage of this cell is 2.10 v. Primary discharge studies indicate that the minimum Na/sup +/ conductivity of the Na/sub 5/ErSi/sub 4/O/sub 12/ is 0.002 /OMEGA//sup -1/ cm/sup -1/ at this temperature, so that the rate of charge transport within the cell appears to be controlled by the rate of Na/sup +/ diffusion within the TiS/sub 2/. A mathematical model has been developed which predicts the current-time behavior for this kind of cell operating under alkali metalmore » ion diffusion control within the positive plate material. 17 refs.« less
  • The electrochemical reaction of layered titanium disulfide with lithium giving the intercalation compound lithium titanium disulfide is the basis of a new battery system. This reaction occurs very rapidly and in a highly reversible manner at ambient temperatures as a result of structural retention. Titanium disulfide is one of a new generation of solid cathode materials. 2 figures.