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Computational Modeling of Carbon Nanostructures for Energy Storage Applications...

by Guang Feng, Jingsong J Huang, Rui Qiao, Bobby G Sumpter, Vincent Meunier
Publication Type
Conference Paper
Publication Date
Page Number
100
Volume
N/A
Conference Name
IEEE Nanotechnology 2010
Conference Location
Seoul, South Korea
Conference Date

We present a theoretical model for electrical double layers formed by ion adsorption in nanoscale carbon pores. In this work a combination of computational methods, including first-principles and classical modeling, are used to explain the onset of an anomalous increase in capacitance for small pores. The study highlights the key role played by pore curvature and nanoconfinement on the capacitance performance. We emphasize the role of modeling in providing a precise understanding of the processes responsible for capacitive energy storage, and how simulations can be used to enhance desired properties and suppress unwanted ones.