Evaluation of Olivine LiFePO4 Polyanionic Cathode Material Using Density Functional Theory

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Evaluation of Olivine LiFePO4 Polyanionic Cathode Material Using Density Functional Theory

The first principles study on the LiFePO4 and FePO4 crystal has been evaluated using the density functional theory encrypted in the Cambridge Serial Total Energy Package (CASTEP) computer code. The structural properties, electronic properties, and intercalation voltage of the cathode material are pr...

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Bibliographic Details
Published in:	Key Engineering Materials
Main Author:	Shahrul Izwan A.; Fadhlul Wafi B.; Abqari Luthfi Albert A.; Muhd Zu Azhan Y.; Mohamad Fariz Mohamad T.; Oskar Hasdinor H.
Format:	Conference paper
Language:	English
Published:	Trans Tech Publications Ltd 2022
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85127272094&doi=10.4028%2fp-csw2yc&partnerID=40&md5=03be04989e334ad14bbd43454244d252

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