Electrochemical property of carbon- based materials: first-principles and experiment

Joint Conference: International Conference on DIAMOND AND CARBON MATERIALS & GRAPHENE AND SEMICONDUCTORS

July 17-18, 2017 Chicago, USA

Zijun Shi, Yanfang Gao

University of Science and Technology Beijing, China

Posters & Accepted Abstracts: J Material Sci Eng

Abstract :

Electric double layer capacitors, also called supercapacitors, ultracapacitors, and electrochemical capacitors, are gaining increasing popularity in high power energy storage applications. Carbon nanotubes (CNT) are carbon allotropes with cylindrical 1-D structure. CNT are consisted of either one rolled-up graphitic sheet (single- walled CNT) or several coaxial ones (multiwalled CNT). Graphene oxide (GO), an oxidized form of graphene that can be dispersed in water in single-sheet form for large-scale production, is selected as the precursor for the formation of graphene nanostructures.Reduced graphene oxide (rGO) nanosheets are extremely attractive due to their large lateral size after processing, which results in a much lower percolation threshold and fewer junctions in a continuous film, giving rise to high electrical conductivity. In this work, we make the best of the theoretical calculation demonstrated that rGO electrochemical performance is better than CNT and GO. Reported the electrochemical performance of carbon- based materials by first-principles calculation, which based on DFT were performed using CASTEP and DOML3 program (Materials Studio7.0). Additionally, we also by experiment proved rGO electrochemical performance is best. What is more, we through theoretical calculation reported that rGO is a great influence to electrochemical properties due to the abundant epoxy groups on its basal plane and the carboxyl groups at the sheet edges (Figure 1). For these purpose, rGO with unique structure and outstanding properties will become the intriguing carbon materials in supercapacitors, owing to (1) avoid �?-�? stacking and van der Waals interactions; (2) the application of electrochemical may be controlled by adjusting content of oxygen;(3) contain tiny amounts band gap can vastly enhance the potential in various applications.

Biography :

Email: yf_gao@imut.edu.cn