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

研究成果: ジャーナルへの寄稿Conference article

7 引用 (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.

ジャーナルJournal of Power Sources
出版物ステータス出版済み - 7 1 2001
イベント10th International Meeting on Lithium Batteries - Como, イタリア
継続期間: 5 28 20016 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