Abstract
Graphene sheets functionalized by redox-active small aromatics can exhibit enhanced capacitance because of the introduced faradaic process. However, the immense number of possible molecules for energy storage makes the selection of the appropriate ones difficult. This study combines experiment and theory to unveil factors behind the different pseudocapacitance contributions of some aromatic isomers adsorbed onto graphene, aiming to provide a guideline for computationally screening out optimal molecules for supercapacitor electrodes. Eight kinds of molecules containing amino groups are intentionally selected to functionalize N-doped graphene (NG) and their electrochemical properties are compared. The highest occupied molecular orbital level of a molecule is found to play an important role in rendering a high pseudocapacitance. Also, remarkable efficacies from two kinds of molecules, 4-aminophenol and 1,5-naphthalenediamine (1,5-NAPD), are unveiled, and the role of the amino group in charge storage is discu...
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
