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Phonons and Thermodynamics of Unmixed and Disordered Li_(0.6)FePO_4

Stevens, R. and Dodd, J. L. and Kresch, M. G. and Yazami, R. and Fultz, B. and Ellis, B. and Nazar, L. F. (2006) Phonons and Thermodynamics of Unmixed and Disordered Li_(0.6)FePO_4. Journal of Physical Chemistry B, 110 (45). pp. 22732-22735. ISSN 1520-6106. http://resolver.caltech.edu/CaltechAUTHORS:20170419-100955822

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Abstract

The lithium-storage material Li_(0.6)FePO_4 was studied by inelastic neutron scattering and differential scanning calorimetry. Li_(0.6)FePO_4 undergoes a transformation from a two-phase mixture (heterosite and triphylite) to a disordered solid-solution at 200 °C. Phonon densities of states (DOS) obtained from the inelastic neutron scattering were similar for the two-phase sample measured at 180 °C and the disordered sample measured at 220 °C. The vibrational entropy of transformation is 1.8 ±0.9 J/(K mol), which is smaller than the configurational entropy difference of approximately 3.1 J/(K mol). The measured enthalpy of the disordering transition was estimated as 2.5 kJ/mol. The phonon data show a small change in lattice dynamics upon disordering.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/jp063831lDOIArticle
http://pubs.acs.org/doi/abs/10.1021/jp063831lPublisherArticle
ORCID:
AuthorORCID
Fultz, B.0000-0002-6364-8782
Additional Information:© 2006 American Chemical Society. Received: June 20, 2006; In Final Form: September 7, 2006. Publication Date (Web): October 13, 2006. The authors thank Dr. Khalil Amine, Dr. Ilias Belharouak, and Argonne National Laboratory for providing the LiFePO_4 material. This work was supported by the Department of Energy through the Basic Energy Sciences Grants DE-FG03-00ER15035 and BES-MS, W-31-109-ENG-38, and by the National Sciences and Engineering Research Council of Canada through a Discovery grant.
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)DE-FG03-00ER15035
Department of Energy (DOE)W-31-109-ENG-38
National Sciences and Engineering Research Council of Canada (NSERC)UNSPECIFIED
Record Number:CaltechAUTHORS:20170419-100955822
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20170419-100955822
Official Citation:Phonons and Thermodynamics of Unmixed and Disordered Li0.6FePO4 R. Stevens, J. L. Dodd, M. G. Kresch, R. Yazami, B. Fultz, B. Ellis, and L. F. Nazar The Journal of Physical Chemistry B 2006 110 (45), 22732-22735 DOI: 10.1021/jp063831l
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:76672
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:19 Apr 2017 17:20
Last Modified:19 Apr 2017 17:20

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