Effects of Vanadium Substitution in the Layered LiFeSO4OH: A First Principles Investigation

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Effects of Vanadium Substitution in the Layered LiFeSO4OH: A First Principles Investigation

This work aims to investigate effects of vanadium substitution on structural and electronic properties of the pristine LiFeSO4OH compound using GGA, GGA+U and GGA + van der Waals (vDW) dispersion corrections. Upon vanadium substitution, the band gap of substituted vanadium on LiFeSO4OH decreased imp...

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Bibliographic Details
Published in:	Materials Today: Proceedings
Main Author:	Badrudin F.W.; Taib M.F.M.; Mustapha R.I.P.R.; Hassan O.H.; Yahya M.Z.A.
Format:	Conference paper
Language:	English
Published:	Elsevier Ltd 2017
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85024913800&doi=10.1016%2fj.matpr.2017.05.015&partnerID=40&md5=f1c8be601de27f35339f06341fa5321a

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