Two-dimensional VS2 monolayers as potential anode materials for lithium-ion batteries and beyond: 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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First-Principles Calculations of Ti2N and Ti2NT2 (T = O, F, OH) Monolayers as Potential Anode Materials for Lithium-Ion Batteries and Beyond

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b03057 ◽

2017 ◽

Vol 121 (24) ◽

pp. 13025-13034 ◽

Cited By ~ 62

Author(s):

Dashuai Wang ◽

Yu Gao ◽

Yanhui Liu ◽

Di Jin ◽

Yury Gogotsi ◽

...

Keyword(s):

Lithium Ion Batteries ◽

First Principles ◽

Anode Materials ◽

Lithium Ion ◽

First Principles Calculations

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DFT investigation of capacious, ultrafast and highly conductive hexagonal Cr2C and V2C monolayers as anode materials for high-performance lithium-ion batteries

Physical Chemistry Chemical Physics ◽

10.1039/c7cp00064b ◽

2017 ◽

Vol 19 (11) ◽

pp. 7807-7819 ◽

Cited By ~ 31

Author(s):

Zhenming Xu ◽

Xiaojun Lv ◽

Jiangan Chen ◽

Liangxing Jiang ◽

Yanqing Lai ◽

...

Keyword(s):

Lithium Ion Batteries ◽

First Principles ◽

Anode Materials ◽

High Performance ◽

Lithium Ion ◽

First Principles Calculations

To assess the potential of hexagonal Cr2C and V2C monolayers as anode materials in lithium-ion batteries, first-principles calculations and AIMD simulations were carried out.

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TiO2-B nanoribbons anchored with NiO nanosheets as hybrid anode materials for rechargeable lithium ion batteries

CrystEngComm ◽

10.1039/c4ce01719f ◽

2015 ◽

Vol 17 (7) ◽

pp. 1710-1715 ◽

Cited By ~ 11

Author(s):

Jiayan Zhang ◽

Jianxing Shen ◽

Tailin Wang ◽

Huayong Zhang ◽

Changbao Wei ◽

...

Keyword(s):

Electrochemical Properties ◽

Lithium Ion Batteries ◽

Hybrid Material ◽

Anode Materials ◽

Lithium Ion ◽

New Type ◽

Nio Nanosheets

A new type of TiO2-B nanoribbons anchored with NiO nanosheets hybrid material is synthesized and exhibit outstanding electrochemical properties.

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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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Effects of the phase constitution and microstructure on the electrochemical properties of melt-spun Al88−X Si12Mn X anode materials for lithium-ion batteries

Journal of Applied Electrochemistry ◽

10.1007/s10800-012-0449-6 ◽

2012 ◽

Vol 42 (10) ◽

pp. 843-850 ◽

Cited By ~ 1

Author(s):

Zhang Linping ◽

Lu Feifei ◽

Song Xianlei ◽

Liang Pu ◽

Wang Fei ◽

...

Keyword(s):

Electrochemical Properties ◽

Lithium Ion Batteries ◽

Anode Materials ◽

Lithium Ion ◽

Phase Constitution ◽

Melt Spun

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Two-Dimensional Boron-Rich Monolayer BxN as High Capacity for Lithium-Ion Batteries: A First-Principles Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.1c08331 ◽

2021 ◽

Author(s):

Xingyi Zhou ◽

Xianfei Chen ◽

Chaozhu Shu ◽

Yi Huang ◽

Beibei Xiao ◽

...

Keyword(s):

Lithium Ion Batteries ◽

First Principles ◽

High Capacity ◽

Lithium Ion ◽

Two Dimensional ◽

First Principles Study

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First Principles Calculations on Lithium Diffusion near Surface and in Bulk of Fe-doped LiCoPO4

Physical Chemistry Chemical Physics ◽

10.1039/d1cp04517b ◽

2021 ◽

Author(s):

Kuan-Ching Wu ◽

Chieh-Ming Hsieh ◽

Bor Kae Chang

Keyword(s):

Cathode Material ◽

Lithium Ion Batteries ◽

High Voltage ◽

First Principles ◽

Energy Barrier ◽

Lithium Ion ◽

First Principles Calculations ◽

Near Surface ◽

Lithium Diffusion ◽

Olivine Phosphate

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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