ANIMATIONS, SNAPSHOTS, FIGURES
Please note that the files are for personal use, only !!!
The authors acknowledge the use of the computer cluster at Poznań Supercomputing and Networking Center (P C S S) and the Information and Communication Technology Center of the Nicolaus Copernicus University (U C I) (Toruń, Poland). !!!
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Selected snapshots showing the structure of water confined inside nanotubes.
[P.A. Gauden, A.P. Terzyk, R. Pieńkowski, S. Furmaniak, R.P. Wesołowski, P. Kowalczyk, Molecular Dynamics of Zigzag Single Walled Carbon Nanotubes Immersion in Water, Phys. Chem. Chem. Phys., 13, 5621 (2011); (download pdf); (Supporting Information)] |
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Selected snapshots showing the structure of water confined inside nanotubes - the influence of charge distribution.
[P.A. Gauden, A.P. Terzyk, R. Pieńkowski, S. Furmaniak, R.P. Wesołowski, P. Kowalczyk, Molecular Dynamics of Zigzag Single Walled Carbon Nanotubes Immersion in Water, Phys. Chem. Chem. Phys., 13, 5621 (2011); (download pdf); (Supporting Information)] |
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Density profiles (g/cm3) determined for selected tubes and assuming that the
centre of the molecules is located on oxygen atom, r is the distance from the tube axis and z is
the direction of the tube axis. The effect of temperature.
[P.A. Gauden, A.P. Terzyk, R. Pieńkowski, S. Furmaniak, R.P. Wesołowski, P. Kowalczyk, Molecular Dynamics of Zigzag Single Walled Carbon Nanotubes Immersion in Water, Phys. Chem. Chem. Phys., 13, 5621 (2011); (download pdf); (Supporting Information)] |
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Schematic representation of the studied VPC structures. Green arrows shows the rise in the burn-off,
and red colour shows carbon atoms removed from the presented structure after virtual activation.
[S. Furmaniak, A.P. Terzyk, P.A. Gauden, N.A. Marks, R.C. Powles, P. Kowalczyk, Simulating the Changes in Carbon Structure During the Burn-off Process, J. Coll. Interf. Sci., 360, 211 (2011); (download pdf)] |
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Snapshots of p-H2 and its classical counterpart adsorbed in studied carbon nanotubes.
[P. Kowalczyk, P.A. Gauden, A.P. Terzyk, S. Furmaniak, Quantum Fluctuations Increase the Self-Diffusive Motion of Para-Hydrogen in Narrow Carbon Nanotubes, Phys. Chem. Chem. Phys., 13, 9824 (2011); (download pdf); (supporting information)] |
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Separation of mixtures in a 3-D pillared graphene network {(1) Kr/Ar 1:1, (2) Kr/He 1:1,
(3) Ar/He 1:1, and (4) Kr/He 1:1}.
[R.P. Wesołowski, A.P. Terzyk, Pillared Graphene as a Gas Separation Membrane, Phys. Chem. Chem. Phys., 13, 17027 (2011); (download pdf)] |
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Snapshots of CO2 adsorbed in a carbon nanomaterial built up from different nanotubes at 298 K.
[P. Kowalczyk, S. Furmaniak, P.A. Gauden, A.P. Terzyk, An Optimal Single-Walled Carbon Nanotube Vessels for Short Term Reversible Storage of Carbon Dioxide at Ambient Temperatures, J. Phys. Chem. C, 114, 21465 (2010); (download pdf); (Supporting Information)] |