基于基团贡献法估算锂离子动力电池正极材料LiNixCoyMnzO2的ΔHf,298 θ和ΔGf,298 θ

Translated title of the contribution: Estimation of ΔHf,298 θ and ΔGf,298 θ of LiNixCoyMnzO2 Cathode Material for Lithium Ion Power Battery Based on the Group Contribution Method

Lixin Yang, Dahui Wang*, Huaijing Chen, Xiaodong Zhang, Yueshan Yu, Li Xu

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

Abstract

The ΔHf,298 θ and ΔGf,298 θ of cathode materials LiNi0.6Co0.2Mn0.2O2, LiNi0.5Co0.2Mn0.3O2, LiNi0.8Co0.1Mn0.1O2 and LiNi1/3Co1/3Mn1/3O2 for lithium ion power battery were estimated based on the group contribution method. The ΔHf,298 θ and ΔGf,298 θ of 56 solid inorganic compounds were first estimated by the group contribution method. The absolute values of the relative errors were within 4% compared with the literature values. Mathematical models for estimating ΔHf,298 θ and ΔGf,298 θ were constructed based on the group contribution method for estimating cathode material LiNixCoyMnzO2 for lithium ion power battery. By combining the XPS experimental data analyses, the values of the ΔHf,298 θ and ΔGf,298 θ of ternary materials LiNi0.6Co0.2Mn0.2O2, LiNi0.5Co0.2Mn0.3O2, LiNi0.8Co0.1Mn0.1O2 and LiNi1/3Co1/3Mn1/3O2 are estimated to be -705.39 kJ•mol-1, -703.90 kJ•mol-1, -695.67 kJ•mol-1, -705.17 kJ•mol-1, and -647.98 kJ•mol-1, -640.04 kJ•mol-1, -631.10 kJ•mol-1, -642.41 kJ•mol-1, respectively.

Translated title of the contributionEstimation of ΔHf,298 θ and ΔGf,298 θ of LiNixCoyMnzO2 Cathode Material for Lithium Ion Power Battery Based on the Group Contribution Method
Original languageChinese (Traditional)
Pages (from-to)161-168
Number of pages8
JournalXiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering
Volume49
Issue number1
Publication statusPublished - 1 Jan 2020
Externally publishedYes

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