Structures and properties of carbon-doped amorphous silicon as anode for lithium ions battery: A first-principles study

Key Points

• This research aims to explore the structures and properties of carbon-doped amorphous silicon to enhance its performance as a lithium-ion battery anode.
• Utilized first-principles calculations to evaluate structural properties.
• Analyzed the impact of carbon doping on silicon's anode performance.
• Assessed volume expansion characteristics during cycling.
• Identified significant improvements in stability due to carbon doping.
• Demonstrated reduced volume expansion compared to undoped silicon.
• Highlighted enhanced electrochemical performance for lithium-ion storage.