scholarly journals First-principles study of rare-earth-doped cathode materials Li2MnO3 in Li-ion batteries

2019 ◽  
Vol 68 (13) ◽  
pp. 138201
Author(s):  
Lu-Min Zheng ◽  
Shu-Ying Zhong ◽  
Bo Xu ◽  
Chu-Ying Ouyang
Keyword(s):  
Rare Earth ◽  
Cathode Materials ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion ◽  
Rare Earth Doped

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

scholarly journals First principles study on electrochemical and chemical stability of solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries

2016 ◽  
Vol 4 (9) ◽  
pp. 3253-3266 ◽  
Author(s):  
Yizhou Zhu ◽  
Xingfeng He ◽  
Yifei Mo
Keyword(s):  
Solid State ◽  
Electrochemical Performance ◽  
Solid Electrolyte ◽  
Chemical Stability ◽  
First Principles ◽  
Design Strategy ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion

This study provides the understanding and design strategy of solid electrolyte–electrode interfaces to improve electrochemical performance of all-solid-state Li-ion batteries.

Influence of magnetic ordering and Jahn–Teller distortion on the lithiation process of LiMn2O4

2017 ◽  
Vol 19 (9) ◽  
pp. 6481-6486 ◽  
Author(s):  
Wei-Wei Liu ◽  
Da Wang ◽  
Zhifan Wang ◽  
Jianguo Deng ◽  
Woon-Ming Lau ◽  
...  
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
Magnetic Ordering ◽  
Li Ion Batteries ◽  
Promising Candidate ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Li Ion ◽  
Jahn Teller Distortion

We performed extensive first-principles studies on the magnetic ordering and Jahn–Teller (JT) distortion of spinel LiMn2O4, a promising candidate for cathode materials in Li-ion batteries.

First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries

2011 ◽  
Vol 2 (10) ◽  
pp. 1129-1132 ◽  
Author(s):  
Qiang Xu ◽  
Chunmei Ban ◽  
Anne C. Dillon ◽  
Su-Huai Wei ◽  
Yufeng Zhao
Keyword(s):  
Cathode Material ◽  
First Principles ◽  
Li Ion Batteries ◽  
First Principles Study ◽  
Li Ion
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