Computer simulation of a porous positive electrode for lithium batteries

Takayuki Doi; Hirotaka Fukudome; Shigeto Okada; Jun Ichi Yamaki

doi:10.1016/j.jpowsour.2007.06.089

Computer simulation of a porous positive electrode for lithium batteries

Takayuki Doi, Hirotaka Fukudome, Shigeto Okada, Jun Ichi Yamaki

Department of Advanced Device Materials

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

The discharge characteristics of a Li/Li_yCoO₂ cell were simulated by numerical calculations. Based on the program proposed by Newman's group, the change in entropy due to lithium-ion insertion into the active materials was introduced into the open-circuit potential (OCP) for more practical applications. The OCP of LiCoO₂ (y = 1) at a full-discharge state was 3.82 V, which was determined from the original program. However, it should show a rapid decrease to minus infinity when discharge is complete (y = 1), which is due to the introduced entropy term. In addition, the local use of active materials across the Li_yCoO₂ electrode was not uniform, whereas the original program showed a constant value throughout the electrode. Based on the present results, the introduction of an entropy term to the OCP of Li_yCoO₂ works reasonably well for more practical applications.

Original language	English
Pages (from-to)	779-783
Number of pages	5
Journal	Journal of Power Sources
Volume	174
Issue number	2
DOIs	https://doi.org/10.1016/j.jpowsour.2007.06.089
Publication status	Published - Dec 6 2007

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)

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10.1016/j.jpowsour.2007.06.089

Cite this

@article{8607f18788824e5eb1a12577bb8b25d4,

title = "Computer simulation of a porous positive electrode for lithium batteries",

abstract = "The discharge characteristics of a Li/LiyCoO2 cell were simulated by numerical calculations. Based on the program proposed by Newman's group, the change in entropy due to lithium-ion insertion into the active materials was introduced into the open-circuit potential (OCP) for more practical applications. The OCP of LiCoO2 (y = 1) at a full-discharge state was 3.82 V, which was determined from the original program. However, it should show a rapid decrease to minus infinity when discharge is complete (y = 1), which is due to the introduced entropy term. In addition, the local use of active materials across the LiyCoO2 electrode was not uniform, whereas the original program showed a constant value throughout the electrode. Based on the present results, the introduction of an entropy term to the OCP of LiyCoO2 works reasonably well for more practical applications.",

author = "Takayuki Doi and Hirotaka Fukudome and Shigeto Okada and Yamaki, {Jun Ichi}",

note = "Funding Information: The present work was supported by CREST of JST (Japan Science and Technology Agency).",

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doi = "10.1016/j.jpowsour.2007.06.089",

language = "English",

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T1 - Computer simulation of a porous positive electrode for lithium batteries

AU - Doi, Takayuki

AU - Fukudome, Hirotaka

AU - Okada, Shigeto

AU - Yamaki, Jun Ichi

N1 - Funding Information: The present work was supported by CREST of JST (Japan Science and Technology Agency).

PY - 2007/12/6

Y1 - 2007/12/6

N2 - The discharge characteristics of a Li/LiyCoO2 cell were simulated by numerical calculations. Based on the program proposed by Newman's group, the change in entropy due to lithium-ion insertion into the active materials was introduced into the open-circuit potential (OCP) for more practical applications. The OCP of LiCoO2 (y = 1) at a full-discharge state was 3.82 V, which was determined from the original program. However, it should show a rapid decrease to minus infinity when discharge is complete (y = 1), which is due to the introduced entropy term. In addition, the local use of active materials across the LiyCoO2 electrode was not uniform, whereas the original program showed a constant value throughout the electrode. Based on the present results, the introduction of an entropy term to the OCP of LiyCoO2 works reasonably well for more practical applications.

AB - The discharge characteristics of a Li/LiyCoO2 cell were simulated by numerical calculations. Based on the program proposed by Newman's group, the change in entropy due to lithium-ion insertion into the active materials was introduced into the open-circuit potential (OCP) for more practical applications. The OCP of LiCoO2 (y = 1) at a full-discharge state was 3.82 V, which was determined from the original program. However, it should show a rapid decrease to minus infinity when discharge is complete (y = 1), which is due to the introduced entropy term. In addition, the local use of active materials across the LiyCoO2 electrode was not uniform, whereas the original program showed a constant value throughout the electrode. Based on the present results, the introduction of an entropy term to the OCP of LiyCoO2 works reasonably well for more practical applications.

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DO - 10.1016/j.jpowsour.2007.06.089

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JO - Journal of Power Sources

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ER -

Computer simulation of a porous positive electrode for lithium batteries

Abstract

All Science Journal Classification (ASJC) codes

UN SDGs

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