Material Storage Mechanism in Porous Nanocarbon – Comparison between Experiment and Simulation

Material Storage Mechanism in Porous Nanocarbon – Comparison between Experiment and Simulation

We present first MD simulation results of C60 adsorption inside a single-walled carbon nanohorn. The assumed carbon nanohorn model and the values of the force field parameters lead to relatively good agreement between simulation and experiment. We show that the confinement of water and ethanol insid...

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Bibliographic Details
Main Authors: Terzyk, A., Gauden, P., Furmaniak, S., Kowalczyk, Piotr
Format: Journal Article
Published: Polish Academy of Sciences 2012
Subjects:
fullerenes
nanohorn
molecular simulations
adsorption
C60
Online Access:http://www.man.poznan.pl/cmst/2012/18_1/Terzyk.pdf
http://hdl.handle.net/20.500.11937/12590

Internet

http://www.man.poznan.pl/cmst/2012/18_1/Terzyk.pdf
http://hdl.handle.net/20.500.11937/12590

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