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...
| Published in: | Materials Today: Proceedings |
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| Main Author: | |
| Format: | Conference paper |
| Language: | English |
| Published: |
Elsevier Ltd
2017
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| 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 |