Recent Advances in First Principles Computational Research of Cathode Materials for Lithium-Ion Batteries

2012 ◽  
Vol 46 (5) ◽  
pp. 1171-1180 ◽  
Author(s):  
Ying Shirley Meng ◽  
M. Elena Arroyo-de Dompablo
Keyword(s):  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
First Principles ◽  
Lithium Ion ◽  
Recent Advances ◽  
Computational Research

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.

Modification of Li2MnSiO4 cathode materials for lithium-ion batteries: a review

2017 ◽  
Vol 5 (22) ◽  
pp. 10772-10797 ◽  
Author(s):  
Qiaohuan Cheng ◽  
Wen He ◽  
Xudong Zhang ◽  
Mei Li ◽  
Lianzhou Wang
Keyword(s):  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Lithium Ion ◽  
Recent Advances

This review clearly highlights the recent advances of various synthetic and modification methods in improving the performances of Li2MnSiO4 cathodes for LIBs.

scholarly journals Recent Advances in Fluorophosphate and Orthosilicate Cathode Materials for Lithium Ion Batteries

2011 ◽  
Vol 27 (02) ◽  
pp. 267-274 ◽  
Author(s):  
ZHANG Qiu-Mei ◽  
◽  
SHI Zhi-Cong ◽  
LI Yi-Xiao ◽  
GAO Dan ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Lithium Ion ◽  
Recent Advances

New insight into Li/Ni disorder in layered cathode materials for lithium ion batteries: a joint study of neutron diffraction, electrochemical kinetic analysis and first-principles calculations

2017 ◽  
Vol 5 (4) ◽  
pp. 1679-1686 ◽  
Author(s):  
Enyue Zhao ◽  
Lincan Fang ◽  
Minmin Chen ◽  
Dongfeng Chen ◽  
Qingzhen Huang ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
First Principles ◽  
Lithium Ion ◽  
Layered Materials ◽  
First Principles Calculations ◽  
Layered Cathode Materials ◽  
Joint Study ◽  
Insight Into

The clarity of relationship between structure and electrochemical properties of layered materials possesses important guiding significance.

scholarly journals Graphene-Based Composites as Cathode Materials for Lithium Ion Batteries

2013 ◽  
Vol 2013 ◽  
pp. 1-8 ◽  
Author(s):  
Libao Chen ◽  
Ming Zhang ◽  
Weifeng Wei
Keyword(s):  
Electrical Properties ◽  
Electrochemical Performance ◽  
Lithium Ion Batteries ◽  
Cathode Materials ◽  
Lithium Ion ◽  
Synthesis Methods ◽  
Recent Advances ◽  
Thermal And Electrical Properties

Owing to the superior mechanical, thermal, and electrical properties, graphene was a perfect candidate to improve the performance of lithium ion batteries. Herein, we review the recent advances in graphene-based composites and their application as cathode materials for lithium ion batteries. We focus on the synthesis methods of graphene-based composites and the superior electrochemical performance of graphene-based composites as cathode materials for lithium ion batteries.

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