scholarly journals First-principles study of structural stability, dynamical and mechanical properties of Li2FeSiO4 polymorphs

RSC Advances ◽  
2017 ◽  
Vol 7 (27) ◽  
pp. 16843-16853 ◽  
Author(s):  
P. Vajeeston ◽  
H. Fjellvåg
Keyword(s):  
Mechanical Properties ◽  
Structural Stability ◽  
First Principles ◽  
Li Ion Batteries ◽  
Next Generation ◽  
First Principles Study ◽  
High Theoretical Capacity ◽  
Li Ion

Li2FeSiO4 is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h g−1).

Li intercalation mechanisms in CaTi5O11, a bronze-B derived compound

2016 ◽  
Vol 18 (47) ◽  
pp. 32042-32049 ◽  
Author(s):  
Donghee Chang ◽  
Anton Van der Ven
Keyword(s):  
Electrochemical Properties ◽  
Anode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion

A first-principles study was performed to elucidate the electrochemical properties of CaTi5O11, a recently discovered compound that is a crystallographic variant of TiO2(B) and that shows promise as an anode material for Li-ion batteries.

First-principles study of MoSSe_graphene heterostructures as anode for Li-ion batteries

2020 ◽  
Vol 529 ◽  
pp. 110583 ◽  
Author(s):  
Sheng-Hua Zhou ◽  
Jing Zhang ◽  
Zhen-Zhen Ren ◽  
Jia-Fang Gu ◽  
Yu-Rong Ren ◽  
...  
Keyword(s):  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion

scholarly journals First-principles Study on Metal-doped LiNi0.5Mn1.5O4as a Cathode Material for Rechargeable Li-Ion Batteries

2013 ◽  
Vol 71 (07) ◽  
pp. 1029 ◽  
Author(s):  
Siqi Yang ◽  
Tianran Zhang ◽  
Zhanliang Tao ◽  
Jun Chen
Keyword(s):  
Cathode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion ◽  
Metal Doped
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