Voltage prediction from Coulomb potential created by atoms of spinel LiMn2O4 cathode active material for Li ion cells

Jun Ichi Yamaki, Minato Egashira, Shigeto Okada

Research output: Contribution to journalConference article

7 Citations (Scopus)

Abstract

We studied the contribution of internal energy and entropy change to cathode voltage assuming that the cathode material LixMn2O4 was completely ionic and only the Coulomb potential was effective. We calculated the cathode voltage of an ideal spinel structure LixMn2O4 (Fd3m) (Mn-O: 2 Å, Li-O: 1.732 Å, O-O: 2.828 Å). From this calculation, we found that LixMn2O4 has a multiphase co-existence for 0 < x < 1 with a very high voltage (8.7 V versus Li), and has a negative voltage when 1 < x. If we suppose that inserted Li+ and electron have 40% of the formal charge, LixMn2O4 has a voltage from 4.55 to 4.79 V for 0 < x < 1, and has a voltage of 1.75 V when 1 < x.

Original languageEnglish
Pages (from-to)349-353
Number of pages5
JournalJournal of Power Sources
Volume97-98
DOIs
Publication statusPublished - Jul 1 2001
Event10th International Meeting on Lithium Batteries - Como, Italy
Duration: May 28 2001Jun 2 2001

Fingerprint

Coulomb potential
spinel
Cathodes
cathodes
Ions
Atoms
Electric potential
electric potential
predictions
cells
atoms
ions
internal energy
high voltages
spinell
lithium manganese oxide
entropy
Entropy
Electrons
electrons

All Science Journal Classification (ASJC) codes

  • Renewable Energy, Sustainability and the Environment
  • Energy Engineering and Power Technology
  • Physical and Theoretical Chemistry
  • Electrical and Electronic Engineering

Cite this

Voltage prediction from Coulomb potential created by atoms of spinel LiMn2O4 cathode active material for Li ion cells. / Yamaki, Jun Ichi; Egashira, Minato; Okada, Shigeto.

In: Journal of Power Sources, Vol. 97-98, 01.07.2001, p. 349-353.

Research output: Contribution to journalConference article

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abstract = "We studied the contribution of internal energy and entropy change to cathode voltage assuming that the cathode material LixMn2O4 was completely ionic and only the Coulomb potential was effective. We calculated the cathode voltage of an ideal spinel structure LixMn2O4 (Fd3m) (Mn-O: 2 {\AA}, Li-O: 1.732 {\AA}, O-O: 2.828 {\AA}). From this calculation, we found that LixMn2O4 has a multiphase co-existence for 0 < x < 1 with a very high voltage (8.7 V versus Li), and has a negative voltage when 1 < x. If we suppose that inserted Li+ and electron have 40{\%} of the formal charge, LixMn2O4 has a voltage from 4.55 to 4.79 V for 0 < x < 1, and has a voltage of 1.75 V when 1 < x.",
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AU - Yamaki, Jun Ichi

AU - Egashira, Minato

AU - Okada, Shigeto

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Y1 - 2001/7/1

N2 - We studied the contribution of internal energy and entropy change to cathode voltage assuming that the cathode material LixMn2O4 was completely ionic and only the Coulomb potential was effective. We calculated the cathode voltage of an ideal spinel structure LixMn2O4 (Fd3m) (Mn-O: 2 Å, Li-O: 1.732 Å, O-O: 2.828 Å). From this calculation, we found that LixMn2O4 has a multiphase co-existence for 0 < x < 1 with a very high voltage (8.7 V versus Li), and has a negative voltage when 1 < x. If we suppose that inserted Li+ and electron have 40% of the formal charge, LixMn2O4 has a voltage from 4.55 to 4.79 V for 0 < x < 1, and has a voltage of 1.75 V when 1 < x.

AB - We studied the contribution of internal energy and entropy change to cathode voltage assuming that the cathode material LixMn2O4 was completely ionic and only the Coulomb potential was effective. We calculated the cathode voltage of an ideal spinel structure LixMn2O4 (Fd3m) (Mn-O: 2 Å, Li-O: 1.732 Å, O-O: 2.828 Å). From this calculation, we found that LixMn2O4 has a multiphase co-existence for 0 < x < 1 with a very high voltage (8.7 V versus Li), and has a negative voltage when 1 < x. If we suppose that inserted Li+ and electron have 40% of the formal charge, LixMn2O4 has a voltage from 4.55 to 4.79 V for 0 < x < 1, and has a voltage of 1.75 V when 1 < x.

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