Carbon-based nanomaterials such as nanotubes (CNTs) and graphene are a promising class of electrodes for electrochemical double layer capacitors (EDLCs), due to their high accessible surface area, high conductivity, and tunability through functionalization. Recent work has shown that carbon-based EDLCs can have improved capacitance, which has been typically thought to be associated with the increased double layer capacitance from a high BET surface area. However, the influence of the electrode's quantum capacitance is relatively unknown. We will present a new computational framework based on density functional theory and classical molecular dynamics to explore the relative contributions of the quantum and double layer capacitance to the overall capacitance. We will also discuss the benefits of using CNT-based electrodes according to this framework.

Relative role of the quantum and double layer capacitance of carbon-based nanomaterials in ionic liquids for supercapacitors

245th National Meeting (2013)

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