Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?

• Published in: Physical chemistry chemical physics : PCCP Vol. 15; no. 39; pp. 16819 - 16827
• Main Author: Yu, Yang-Xin
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 01.01.2013
• Subjects: Adsorption; Anodes; Applied sciences; Decoration; Defects; Direct energy conversion and energy accumulation; Electric batteries; Electrical engineering. Electrical power engineering; Electrical power engineering; Electrochemical conversion: primary and secondary batteries, fuel cells; Exact sciences and technology; Graphene; Lithium batteries; Lithium-ion batteries; Vacancies; Lithium battery; Defect; Anode; Nitrogen; Graphene

The electronic and adsorption properties of graphene can be changed significantly through substitutional doping with nitrogen and nitrogen decoration of vacancies. Here ab initio density functional theory with a dispersion correction was used to investigate the stability, magnetic and adsorption pro...