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

The Journal of Physical Chemistry Letters ◽

10.1021/jz200440m ◽

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 ◽

Download Full-text

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

Acta Chimica Sinica ◽

10.6023/a13030294 ◽

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 ◽

Download Full-text

Suppressing cation mixing and improving stability by F doping in cathode material LiNiO2 for Li-ion batteries: First-principles study

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2020.124940 ◽

2020 ◽

Vol 600 ◽

pp. 124940 ◽

Author(s):

Lingling Fang ◽

Ming Wang ◽

Qinghua Zhou ◽

Huihui Xu ◽

Wei Hu ◽

...

Keyword(s):

Cathode Material ◽

First Principles ◽

Li Ion Batteries ◽

First Principles Study ◽

Li Ion ◽

Download Full-text

First-principles study of effects of Ga, Ge and As doping on electrochemical properties and electronic structure of Li2CoSiO4 serving as cathode material for Li-ion batteries

Acta Physica Sinica ◽

10.7498/aps.68.20190503 ◽

2019 ◽

Vol 68 (18) ◽

pp. 187101

Author(s):

Xiao-Tong Yan ◽

Yu-Hua Hou ◽

Shou-Hong Zheng ◽

You-Lin Huang ◽

Xiao-Ma Tao

Keyword(s):

Electronic Structure ◽

Cathode Material ◽

Electrochemical Properties ◽

First Principles ◽

Li Ion Batteries ◽

As Doping ◽

First Principles Study ◽

Download Full-text

A First-Principles Study on the Structure and Electronic Structure of Ti-Doped Spinel LiMn2O4 for Li-Ion Batteries

Journal of Electronic Materials ◽

10.1007/s11664-021-09293-w ◽

2021 ◽

Author(s):

Yaoyao Ma ◽

Lu lv ◽

Yuwen Dai ◽

Qinghua Zhou ◽

Jinming Cheng ◽

...

Keyword(s):

Electronic Structure ◽

First Principles ◽

Li Ion Batteries ◽

Spinel Limn2o4 ◽

First Principles Study ◽

Download Full-text

First-Principles Characterization of Lithium Cobalt Pyrophosphate as a Cathode Material for Solid-State Li-Ion Batteries

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b09946 ◽

2019 ◽

Vol 123 (49) ◽

pp. 29623-29629

Author(s):

Man-Fai Ng ◽

Michael B. Sullivan

Keyword(s):

Solid State ◽

Cathode Material ◽

First Principles ◽

Li Ion Batteries ◽

Li Ion ◽

Cobalt Pyrophosphate ◽

Download Full-text

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

Physical Chemistry Chemical Physics ◽

10.1039/c6cp05905h ◽

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 ◽

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.

Download Full-text

First-principles investigation of a β-MnO2 and graphene composite as a promising cathode material for rechargeable Li-ion batteries

RSC Advances ◽

10.1039/c7ra04837h ◽

2017 ◽

Vol 7 (47) ◽

pp. 29821-29826 ◽

Author(s):

Renhui Zhang ◽

Juan Zhao ◽

Lei Guo ◽

Hangdao Qin ◽

Wei Shi ◽

...

Keyword(s):

Cathode Material ◽

First Principles ◽

Li Ion Batteries ◽

Graphene Composite ◽

Synergistic Mechanism ◽

Li Ion ◽

In this investigation, we studied the effect of the synergistic mechanism on the stability and the electronic and Li diffusion performance of a β-MnO2 and graphene composite.

Download Full-text

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

Chemical Physics ◽

10.1016/j.chemphys.2019.110583 ◽

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 ◽

Download Full-text

Universal Design Strategy for Li Super-Ionic Conductors in All-Solid-State Li-Ion Batteries : A First-Principles Study

ECS Meeting Abstracts ◽

10.1149/ma2017-02/4/426 ◽

2017 ◽

Keyword(s):

Solid State ◽

First Principles ◽

Universal Design ◽

Design Strategy ◽

Li Ion Batteries ◽

Ionic Conductors ◽

First Principles Study ◽

Download Full-text

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

Journal of Materials Chemistry A ◽

10.1039/c5ta08574h ◽

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 ◽

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

Download Full-text