Tuning the structural stability and electrochemical properties in graphene anode materials by B doping: a first-principles study

The first-principles method of density functional theory (DFT) is used to study the structural stability and electrochemical properties of B doped graphene with concentrations of 3.125%, 6.25% and 18.75% respectively, and their lithium storage mechanism and characteristics are further studied. The r...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-09, Vol.24 (35), p.21452-2146
Hauptverfasser:	Guo, Xialei, Hou, Yuhua, Chen, Xuan, Zhang, Ruyan, Li, Wei, Tao, Xiaoma, Huang, Youlin
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Anodes Density functional theory Diffusion barriers Diffusion rate Doping Electrochemical analysis Electrode materials First principles Graphene Lithium Lithium-ion batteries Rechargeable batteries Structural stability
Online-Zugang:	Volltext
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