Theoretical dopant screening and processing optimization for vanadium disulfide as cathode material for Li-air batteries: A density functional theory study

2020 ◽  
Vol 508 ◽  
pp. 145276 ◽  
Author(s):  
Jungwook Woo ◽  
Eun Seob Sim ◽  
Minyeong Je ◽  
Heechae Choi ◽  
Yong-Chae Chung
Keyword(s):  
Density Functional Theory ◽  
Cathode Material ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Processing Optimization

scholarly journals A density functional theory study of the carbon-coating effects on lithium iron borate battery electrodes

2017 ◽  
Vol 19 (3) ◽  
pp. 2087-2094 ◽  
Author(s):  
Simon Loftager ◽  
Juan María García-Lastra ◽  
Tejs Vegge
Keyword(s):  
Density Functional Theory ◽  
Cathode Material ◽  
Carbon Coating ◽  
Density Functional ◽  
Li Ion Battery ◽  
Density Functional Theory Study ◽  
Iron Borate ◽  
Functional Theory ◽  
Carbon Coatings ◽  
Li Ion

Density functional theory modelling shows that carbon coatings on a LiFeBO3 cathode material does not impede the Li transport in a Li-ion battery.

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