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First principles calculations on lithium diffusion near the surface and in the bulk of Fe-doped LiCoPO
4
Kuan Ching Wu,
Chieh Ming Hsieh
,
Bor Kae Chang
化學工程與材料工程學系
研究成果
:
雜誌貢獻
›
期刊論文
›
同行評審
7
引文 斯高帕斯(Scopus)
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深入研究「First principles calculations on lithium diffusion near the surface and in the bulk of Fe-doped LiCoPO
4
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Keyphrases
Fe-doped
100%
First-principles Calculations
100%
Lithium Diffusion
100%
LiCoPO4
100%
Fe Doping
25%
Cathode Material
25%
Energy Barrier
25%
Diffusion Energy Barrier
25%
Electrochemical Performance
12%
First-principles
12%
DFT Calculations
12%
Minimum Energy
12%
Diffusion Mechanism
12%
Surface Properties
12%
Electronic Structure
12%
Lithium-ion
12%
Further Application
12%
Electronic Properties
12%
Doping Concentration
12%
Energy Diffusion
12%
Surface Energy
12%
Diffusion Process
12%
Structural Stability
12%
Low Surface Energy
12%
Low Index
12%
Diffusion Pathway
12%
Polaron
12%
Structural Electronics
12%
High-voltage Lithium-ion Battery
12%
Stability Properties
12%
Via-first
12%
NEB Method
12%
Olivine Phosphate
12%
Doping Modification
12%
Chemistry
Lithium
100%
First Principle
100%
Energy Barrier
100%
Volume
100%
Lithium Ion
66%
Interfacial Energy
66%
Electronic Property
33%
Electronic State
33%
Polaron
33%
Surface Property
33%
Lithium Ion Battery
33%
stability
33%
Density Functional Theory
33%
Material Science
Lithium
100%
Surface (Surface Science)
100%
Lithium Ion
66%
Cathode Material
66%
Surface Energy
66%
Surface Property
33%
Lithium Ion Battery
33%
Electronic Property
33%
Energy Levels
33%