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

doi:10.1016/S0378-7753(01)00629-2

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

Department of Advanced Device Materials

Research output: Contribution to journal › Conference article › peer-review

8 Citations (Scopus)

Abstract

We studied the contribution of internal energy and entropy change to cathode voltage assuming that the cathode material Li_xMn₂O₄ was completely ionic and only the Coulomb potential was effective. We calculated the cathode voltage of an ideal spinel structure Li_xMn₂O₄ (Fd3m) (Mn-O: 2 Å, Li-O: 1.732 Å, O-O: 2.828 Å). From this calculation, we found that Li_xMn₂O₄ 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, Li_xMn₂O₄ 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 language	English
Pages (from-to)	349-353
Number of pages	5
Journal	Journal of Power Sources
Volume	97-98
DOIs	https://doi.org/10.1016/S0378-7753(01)00629-2
Publication status	Published - Jul 2001
Event	10th International Meeting on Lithium Batteries - Como, Italy Duration: May 28 2001 → Jun 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

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/S0378-7753(01)00629-2

Cite this

@article{3515b10b3108436083ef0cd4f2ac31f7,

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

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.",

author = "Yamaki, {Jun Ichi} and Minato Egashira and Shigeto Okada",

year = "2001",

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doi = "10.1016/S0378-7753(01)00629-2",

language = "English",

volume = "97-98",

pages = "349--353",

journal = "Journal of Power Sources",

issn = "0378-7753",

publisher = "Elsevier",

note = "10th International Meeting on Lithium Batteries ; Conference date: 28-05-2001 Through 02-06-2001",

}

TY - JOUR

T1 - Voltage prediction from Coulomb potential created by atoms of spinel LiMn2O4 cathode active material for Li ion cells

AU - Yamaki, Jun Ichi

AU - Egashira, Minato

AU - Okada, Shigeto

PY - 2001/7

Y1 - 2001/7

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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T2 - 10th International Meeting on Lithium Batteries

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