Performance Analysis of Supercapacitors With Graphene and Graphyne Electrodes

Abstract

Graphene and graphyne electrodes exhibit considerable relevance in electrochemical energy storage applications owing to their distinct physical and chemical characteristics. Graphyne has garnered increased attention due to its larger specific surface area, enhanced electronic mobility, and intrinsic band gap compared to graphene. Our analyses unveil pertinent aspects of graphyne electrodes in interaction with ionic liquid (Emim-BF₄) and aqueous salt (NaCl) solution based electrolytes. Despite the existing body of research on graphyne, there remains a gap in the comprehensive analysis of its performance as an electrode for supercapacitors and its interactions with electrolyte. In this investigation, molecular dynamics were employed to explore properties of graphene/graphyne electrodes based supercapacitors. The characteristics of the EDL are elucidated through structural and energetic analyses, while the capacitive performance of the devices is discussed in light of electrostatic properties, total capacitance, and storage energy density. Throughout the analysis, key differences and underlying similarities between the models are delineated.