Title :
Computational modeling of carbon nanostructures for energy storage applications
Author :
Feng, Guang ; Qiao, Rui ; Huang, Jingsong ; Sumpter, Bobby G. ; Meunier, Vincent
Author_Institution :
Oak Ridge Nat. Lab., Oak Ridge, TN, USA
Abstract :
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.
Keywords :
ab initio calculations; adsorption; carbon; energy storage; nanostructured materials; C; capacitance performance; capacitive energy storage; carbon nanostructures; electrical double layers; first principles model; ion adsorption; nanoconfinement; nanoscale carbon pores; pore curvature;
Conference_Titel :
Nanotechnology (IEEE-NANO), 2010 10th IEEE Conference on
Conference_Location :
Seoul
Print_ISBN :
978-1-4244-7033-4
Electronic_ISBN :
1944-9399
DOI :
10.1109/NANO.2010.5698075