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 articlepeer-review

7 Citations (Scopus)


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
Publication statusPublished - Jul 2001
Event10th International Meeting on Lithium Batteries - Como, Italy
Duration: May 28 2001Jun 2 2001

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

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