Polymorphs of LiFeSO4F as cathode materials for lithium ion batteries – a first principle computational study

2012 ◽  
Vol 14 (24) ◽  
pp. 8678 ◽  
Author(s):  
Sai Cheong Chung ◽  
Prabeer Barpanda ◽  
Shin-ichi Nishimura ◽  
Yuki Yamada ◽  
Atsuo Yamada
Keyword(s):  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Computational Study ◽  
Lithium Ion ◽  
First Principle

First Principles Study on Structural and Electronic Properties of LiFeSO4F Cathode Material for Lithium Ion Batteries

2015 ◽  
Vol 1107 ◽  
pp. 508-513 ◽  
Author(s):  
Fadhlul Wafi Badrudin ◽  
Mohd Sazwan Affendi Rasiman ◽  
M.F.M. Taib ◽  
Nur Hafiz Hussin ◽  
Oskar Hasdinor Hassan ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
First Principles ◽  
Bond Order ◽  
Lithium Ion ◽  
First Principle ◽  
Principle Calculation ◽  
First Principle Calculation ◽  
Structural And Electronic Properties ◽  
Electronic And Structural Properties

One of the fluorosulphate family cathode materials viz. LiFeSO4F is investigated by means of first principle calculation. The effects of lithium extraction on the electronic and structural properties in lithiated and delithiated phases were studied. It can be noted that the iono-covalency particularly in the M-X bond (M=transition metal, X= ligand) has played an important role to determine the redox potential instead of electronegativity. Therefore, the bond length (BL) and bond order (BO) are calculated to depict the ionic and covalent characters of the materials.

Enhanced electrochemical properties of ZnO-coated LiMnPO4 cathode materials for lithium ion batteries

Ionics ◽  
2016 ◽  
Vol 22 (9) ◽  
pp. 1551-1556 ◽  
Author(s):  
K. Rajammal ◽  
D. Sivakumar ◽  
Navaneethan Duraisamy ◽  
K. Ramesh ◽  
S. Ramesh
Keyword(s):  
Electrochemical Properties ◽  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Lithium Ion
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