Study of the lithium/nickel ions exchange in the layered LiNi0.42Mn0.42Co0.16O2 cathode material for lithium ion batteries: experimental and first-principles calculations

The olivine phosphate LiCoPO4 is a prospective cathode material in high voltage lithium ion batteries. During lithium diffusion, the ions must overcome diffusion energy barrier near the surface and in...

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Titanium‐Substituted Tavorite LiFeSO 4 F as Cathode Material for Lithium Ion Batteries: First‐Principles Calculations and Experimental Study

ChemPlusChem ◽

10.1002/cplu.202000301 ◽

2020 ◽

Vol 85 (5) ◽

pp. 900-905 ◽

Cited By ~ 1

Author(s):

Zhendong Guo ◽

Dashuai Wang ◽

Lijie Zhang ◽

Qiang Fu ◽

Yingjin Wei

Keyword(s):

Experimental Study ◽

Cathode Material ◽

Lithium Ion Batteries ◽

First Principles ◽

Lithium Ion ◽

First Principles Calculations

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β-MnO2 as a cathode material for lithium ion batteries from first principles calculations

Physical Chemistry Chemical Physics ◽

10.1039/c3cp50392e ◽

2013 ◽

Vol 15 (23) ◽

pp. 9075 ◽

Cited By ~ 53

Author(s):

Da Wang ◽

Li-Min Liu ◽

Shi-Jin Zhao ◽

Bai-Hai Li ◽

Hao Liu ◽

...

Keyword(s):

Cathode Material ◽

Lithium Ion Batteries ◽

First Principles ◽

Lithium Ion ◽

First Principles Calculations

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A review on first principles based studies for improvement of cathode material of lithium ion batteries

Journal of Energy Chemistry ◽

10.1016/j.jechem.2017.09.007 ◽

2018 ◽

Vol 27 (1) ◽

pp. 219-237 ◽

Cited By ~ 17

Author(s):

Arslan Ullah ◽

Abdul Majid ◽

Naema Rani

Keyword(s):

Cathode Material ◽

Lithium Ion Batteries ◽

First Principles ◽

Lithium Ion

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Doped graphenes as anodes with large capacity for lithium-ion batteries

Journal of Materials Chemistry A ◽

10.1039/c6ta04350j ◽

2016 ◽

Vol 4 (35) ◽

pp. 13407-13413 ◽

Cited By ~ 35

Author(s):

Liujiang Zhou ◽

Z. F. Hou ◽

Bo Gao ◽

Thomas Frauenheim

Keyword(s):

Lithium Ion Batteries ◽

First Principles ◽

Lithium Ion ◽

Doping Effect ◽

Chemical Doping ◽

First Principles Calculations ◽

Large Capacity ◽

And Diffusion ◽

Li Storage

To understand the chemical doping effect on the lithium (Li) storage of graphene, we have performed first-principles calculations to study the adsorption and diffusion of Li adatoms on boron (B)- and nitrogen (N)-doped graphenes, which include individual and paired B (and N) dopants in graphene.

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Combining Neural Network with First-Principles Calculations for Computational Screening of Electrolyte Additives in Lithium-Ion Batteries

Green Energy Materials Handbook ◽

10.1201/9780429466281-7 ◽

2019 ◽

pp. 125-144

Author(s):

Chia-Jung Lee ◽

Ngoc Thanh Thuy Tran ◽

Chih-Ao Liao ◽

Ming-Hsiu Wu ◽

Wen-Dung Hsu

Keyword(s):

Neural Network ◽

Lithium Ion Batteries ◽

First Principles ◽

Lithium Ion ◽

First Principles Calculations ◽

Electrolyte Additives ◽

Computational Screening

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First Principles Calculations of Mössbauer Spectra of Intermetallic Anodes for Lithium-Ion Batteries

ICAME 2003 ◽

10.1007/978-1-4020-2852-6_50 ◽

2004 ◽

pp. 327-333

Author(s):

P. E. Lippens ◽

J.-C. Jumas ◽

J. Olivier-Fourcade

Keyword(s):

Lithium Ion Batteries ◽

First Principles ◽

Mössbauer Spectra ◽

Lithium Ion ◽

First Principles Calculations ◽

Mossbauer Spectra

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Two-dimensional phosphorus carbide as a promising anode material for lithium-ion batteries

Journal of Materials Chemistry A ◽

10.1039/c8ta02995d ◽

2018 ◽

Vol 6 (25) ◽

pp. 12029-12037 ◽

Cited By ~ 22

Author(s):

Wei Zhang ◽

Jiuren Yin ◽

Ping Zhang ◽

Xianqiong Tang ◽

Yanhuai Ding

Keyword(s):

Lithium Ion Batteries ◽

Anode Material ◽

First Principles ◽

Lithium Ion ◽

Two Dimensional ◽

First Principles Calculations

Monolayer two-dimensional phosphorus carbide (γ-PC) has been intensively studied as a promising anode material for lithium-ion batteries with first-principles calculations.

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