scholarly journals A first-principles study on the effect of oxygen content on the structural and electronic properties of silicon suboxide as anode material for lithium ion batteries

2016 ◽  
Vol 307 ◽  
pp. 657-664 ◽  
Author(s):  
Obaidur Rahaman ◽  
Bohayra Mortazavi ◽  
Timon Rabczuk
Keyword(s):  
Lithium Ion Batteries ◽  
Electronic Properties ◽  
Anode Material ◽  
Oxygen Content ◽  
First Principles ◽  
Lithium Ion ◽  
First Principles Study ◽  
Structural And Electronic Properties ◽  
Silicon Suboxide ◽  
Effect Of Oxygen

First-principles study of monolayer Be2C as an anode material for lithium-ion batteries

2019 ◽  
Vol 126 (12) ◽  
pp. 125302 ◽  
Author(s):  
K. H. Yeoh ◽  
K.-H. Chew ◽  
Y. Z. Chu ◽  
T. L. Yoon ◽  
Rusi ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
First Principles Study

Effect of carbon content on the structure and electronic properties of silicon oxycarbide anodes for lithium-ion batteries: a first-principles study

2015 ◽  
Vol 3 (9) ◽  
pp. 5067-5071 ◽  
Author(s):  
Ningbo Liao ◽  
Beirong Zheng ◽  
Hongming Zhou ◽  
Wei Xue
Keyword(s):  
Carbon Content ◽  
Lithium Ion Batteries ◽  
Electronic Properties ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
Silicon Oxycarbide ◽  
Li Ion Batteries ◽  
Li Ion ◽  
Insight Into

Silicon oxycarbide (SiCO) shows a three times larger lithium capacity than does graphite. This work provides an insight into the lithiation mechanism of SiCO as anode material for Li-ion batteries.

First-principles study on screening doped TiO2(B) as an anode material with high conductivity and low lithium transport resistance for lithium-ion batteries

2019 ◽  
Vol 21 (32) ◽  
pp. 17985-17992
Author(s):  
Denglei Gao ◽  
Yanlei Wang ◽  
Jing Kong ◽  
Feng Huo ◽  
Sufan Wang ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
First Principles ◽  
Lithium Ion ◽  
High Conductivity ◽  
First Principles Calculations ◽  
Doped Tio2 ◽  
First Principles Study ◽  
Lithium Transport

We report how non-metal dopants affect the diffusion of Li in TiO2(B) completely using first-principles calculations.

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