Institutional-Repository, University of Moratuwa.  

Molecular dynamics simulation of electric double layer capacitance of graphene electrodes

Show simple item record

dc.contributor.author Sandaranga, KAM
dc.contributor.author Kumara, NAHWS
dc.contributor.author Sitinamaluwa, HS
dc.contributor.editor Abeygunawardana, AAGA
dc.date.accessioned 2022-12-12T09:14:46Z
dc.date.available 2022-12-12T09:14:46Z
dc.date.issued 2022-11
dc.identifier.citation ********** en_US
dc.identifier.uri http://dl.lib.uom.lk/handle/123/19768
dc.description.abstract Graphene has been identified as a promising material for electric double layer capacitors (EDLCs) owing to its large surface area and high conductivity. This study aims to develop a computation model to study the double layer formation of graphene electrodes when it is in contact with an electrolyte. Classical molecular dynamic simulation method was selected as a promising method to study the electrode-electrolyte interactions of electric double layer capacitors. This simulation study was performed to understand the electric double layer capacitance of graphene electrodes and acetonitrile electrolyte. The computational analysis has been performed using the molecular dynamics tool (LAMMPS). In this study, to understand the EDL performance on capacitance, number density profile, and charge density profile, data was obtained. The simulations show that electrolyte (acetonitrile) is formed into a highly ordered structure near the surface in graphene-based systems, which leads to electric double layer formation. According to capacitance values that have been calculated, the presence of defects in graphene reduces the electric double layer capacitance. en_US
dc.language.iso en en_US
dc.publisher Department of Materials Science and Engineering, University of Moratuwa. en_US
dc.subject Graphene en_US
dc.subject Molecular dynamic simulations en_US
dc.subject EDLC en_US
dc.title Molecular dynamics simulation of electric double layer capacitance of graphene electrodes en_US
dc.type Conference-Abstract en_US
dc.identifier.faculty Engineering en_US
dc.identifier.department Department of Materials Science and Engineering, University of Moratuwa en_US
dc.identifier.year 2022 en_US
dc.identifier.conference Materials Engineering Symposium on Innovations for Industry 2022 en_US
dc.identifier.place Moratuwa, Sri Lanka. en_US
dc.identifier.pgnos p. 13 en_US
dc.identifier.proceeding Towards Smart Society through Innovative Materials en_US
dc.identifier.email hansinees@uom.lk en_US


Files in this item

This item appears in the following Collection(s)

Show simple item record