Article

Thermophysical Properties of Materials
2010. V. 48. № 6. P. 837–845
Lankin A.V., Norman H.E., Stegailov V.V.
Atomistic simulation of the interaction of an electrolyte with graphite nanostructures in perspective supercapacitors
Annotation
An electrical double layer at the interface between an aqueous electrolyte solution and a carbon electrode has been investigated. In order to estimate the capacitive properties of such a system and to reveal the main factors affecting its properties, quantum molecular dynamics simulation of the electrical double layer has been performed numerically using the density-functional theory. The capacitive properties have been estimated and the prevailing effect of the electron-hole plasma of the carbon electrode on the capacity of the system has been revealed.
Article reference:
Lankin A.V., Norman H.E., Stegailov V.V. Atomistic simulation of the interaction of an electrolyte with graphite nanostructures in perspective supercapacitors, High Temp., 2010. V. 48. № 6. P. 837