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

2017 ◽  
Vol 19 (11) ◽  
pp. 7807-7819 ◽  
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.

Two-dimensional VS2 monolayers as potential anode materials for lithium-ion batteries and beyond: first-principles calculations

2017 ◽  
Vol 5 (40) ◽  
pp. 21370-21377 ◽  
Author(s):  
Dashuai Wang ◽  
Yanhui Liu ◽  
Xing Meng ◽  
Yingjin Wei ◽  
Yingying Zhao ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Lithium Ion Batteries ◽  
First Principles ◽  
Anode Materials ◽  
Lithium Ion ◽  
Two Dimensional ◽  
First Principles Calculations

VS2 monolayers exhibit promising electrochemical properties for Li-, K-, and Mg-ion batteries.

N, O co-doped urchin-like carbon microspheres as high-performance anode materials for lithium ion batteries

2021 ◽  
Vol 361 ◽  
pp. 115562
Author(s):  
Chunli Zhou ◽  
Dengke Wang ◽  
Hui Yang ◽  
Ang Li ◽  
Huaihe Song ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Materials ◽  
High Performance ◽  
Lithium Ion ◽  
Carbon Microspheres ◽  
Co Doped

Graphite@Silicon embedded in Carbon Conformally Coated Tiny SiO2 Nanoparticles Matrix for High-Performance Lithium-Ion Batteries

2021 ◽  
Author(s):  
Huitian Liu ◽  
Xu Liu ◽  
Zhaolin Liu ◽  
Junyan Tao ◽  
Xiaoqian Dai ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Large Volume ◽  
Volume Expansion ◽  
Anode Materials ◽  
High Performance ◽  
Lithium Ion ◽  
Sio2 Nanoparticles ◽  
Carbon Composites ◽  
Effective Strategy ◽  
Si Anode

Engineering of graphite@Si/carbon composites is considered as an effective strategy to surmount the shortcomings of low conductivity and large volume expansion of bare Si anode materials for lithium-ion batteries. Nevertheless,...

High performance silicon carbon composite anode materials for lithium ion batteries

2009 ◽  
Vol 189 (1) ◽  
pp. 16-21 ◽  
Author(s):  
Zhaojun Luo ◽  
Dongdong Fan ◽  
Xianlong Liu ◽  
Huanyu Mao ◽  
Caifang Yao ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Materials ◽  
High Performance ◽  
Lithium Ion ◽  
Carbon Composite ◽  
Composite Anode ◽  
Silicon Carbon

SiO2@NiO core–shell nanocomposites as high performance anode materials for lithium-ion batteries

RSC Advances ◽  
2015 ◽  
Vol 5 (77) ◽  
pp. 63012-63016 ◽  
Author(s):  
Yourong Wang ◽  
Wei Zhou ◽  
Liping Zhang ◽  
Guangsen Song ◽  
Siqing Cheng
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Materials ◽  
High Performance ◽  
Coulombic Efficiency ◽  
Rate Capability ◽  
Lithium Ion ◽  
Cycling Stability ◽  
Core Shell ◽  
Excellent Cycling Stability

A SiO2@NiO core–shell electrode exhibits almost 100% coulombic efficiency, excellent cycling stability and rate capability after the first few cycles.

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

2016 ◽  
Vol 4 (35) ◽  
pp. 13407-13413 ◽  
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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