Quantitative structure-property relationship study of cathode volume changes in lithium ion batteries using ab-initio and partial least squares analysis

Quantitative structure-property relationship study of cathode volume changes in lithium ion batteries using ab-initio and partial least squares analysis

In this paper, we report a method through the combination of ab-initio calculations and partial least squares (PLS) analysis to develop the Quantitative Structure –Activity Relationship (QSAR) formulations of cathode volume changes in lithium ion batteries. The PLS analysis is based on ab-initio cal...

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Bibliographic Details
Main Authors: Xuelong Wang, Ruijuan Xiao, Hong Li, Liquan Chen
Format: Article
Language:English
Published: Elsevier 2017-09-01
Series:Journal of Materiomics
Subjects:
Low-strain cathode
Lithium ion battery
Ab-initio calculations
Partial least squares regression
QSAR
Online Access:http://www.sciencedirect.com/science/article/pii/S2352847816301113

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http://www.sciencedirect.com/science/article/pii/S2352847816301113

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