Origin of the entropy of intercalation of Li into Li xCoO 2

B. Fultz, Y. Reynier, J. Graetz, T. Swan-Wood, Peter Rez, R. Yazami

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

The total entropy of inserting lithium into Li xCoO 2 was determined from measurements of the temperature-dependence of equilibrated voltages in electrochemical half-cells. Changes in the entropy of the lithiation reaction with composition were as large as 9.0 9.0 k B/atom, and as large as 4.2 k B/atom within the layered trigonal structure of Li xCoO 2. Three contributions to the entropy of lithiation for the trigonal phase were assessed by independent experiment and calculations. The configurational entropy from lithium-vacancy disorder was significant, accounting for more than half of the full entropy of lithiation. The phonon entropy of lithiation was determined from measurements of inelastic neutron scattering, but its changes with lithium concentration were found to be small. Electronic structure calculations show that the electronic entropy of lithiation also makes a contribution.

Original languageEnglish (US)
Title of host publicationAdvanced Materials for Energy Conversion II
EditorsD. Chandra, R.G. Bautista, L. Schlabach
Pages311-316
Number of pages6
StatePublished - 2004
EventAdvanced Materials for Energy Conversion II - Charlotte, NC., United States
Duration: Mar 14 2004Mar 18 2004

Other

OtherAdvanced Materials for Energy Conversion II
CountryUnited States
CityCharlotte, NC.
Period3/14/043/18/04

Fingerprint

Intercalation
Entropy
Lithium
Atoms
Inelastic neutron scattering
Vacancies
Electronic structure
Electric potential
Chemical analysis
Experiments

Keywords

  • Configurational entropy
  • Electrochemistry
  • Electronic entropy
  • Electronic structure calculations
  • Entropy
  • Li CoO
  • Neutron scattering
  • Open-circuit voltage
  • Thermodynamics
  • Vibrational entropy

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Fultz, B., Reynier, Y., Graetz, J., Swan-Wood, T., Rez, P., & Yazami, R. (2004). Origin of the entropy of intercalation of Li into Li xCoO 2 In D. Chandra, R. G. Bautista, & L. Schlabach (Eds.), Advanced Materials for Energy Conversion II (pp. 311-316)

Origin of the entropy of intercalation of Li into Li xCoO 2 . / Fultz, B.; Reynier, Y.; Graetz, J.; Swan-Wood, T.; Rez, Peter; Yazami, R.

Advanced Materials for Energy Conversion II. ed. / D. Chandra; R.G. Bautista; L. Schlabach. 2004. p. 311-316.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Fultz, B, Reynier, Y, Graetz, J, Swan-Wood, T, Rez, P & Yazami, R 2004, Origin of the entropy of intercalation of Li into Li xCoO 2 in D Chandra, RG Bautista & L Schlabach (eds), Advanced Materials for Energy Conversion II. pp. 311-316, Advanced Materials for Energy Conversion II, Charlotte, NC., United States, 3/14/04.
Fultz B, Reynier Y, Graetz J, Swan-Wood T, Rez P, Yazami R. Origin of the entropy of intercalation of Li into Li xCoO 2 In Chandra D, Bautista RG, Schlabach L, editors, Advanced Materials for Energy Conversion II. 2004. p. 311-316
Fultz, B. ; Reynier, Y. ; Graetz, J. ; Swan-Wood, T. ; Rez, Peter ; Yazami, R. / Origin of the entropy of intercalation of Li into Li xCoO 2 Advanced Materials for Energy Conversion II. editor / D. Chandra ; R.G. Bautista ; L. Schlabach. 2004. pp. 311-316
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AB - The total entropy of inserting lithium into Li xCoO 2 was determined from measurements of the temperature-dependence of equilibrated voltages in electrochemical half-cells. Changes in the entropy of the lithiation reaction with composition were as large as 9.0 9.0 k B/atom, and as large as 4.2 k B/atom within the layered trigonal structure of Li xCoO 2. Three contributions to the entropy of lithiation for the trigonal phase were assessed by independent experiment and calculations. The configurational entropy from lithium-vacancy disorder was significant, accounting for more than half of the full entropy of lithiation. The phonon entropy of lithiation was determined from measurements of inelastic neutron scattering, but its changes with lithium concentration were found to be small. Electronic structure calculations show that the electronic entropy of lithiation also makes a contribution.

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