| Autor: |
Marti, J., Nagy, G., Gordillo, M. C., Guàrdia, E. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 3/7/2006, Vol. 124 Issue 9, p094703, 7p, 2 Charts, 8 Graphs |
| Abstrakt: |
We carried out molecular dynamics simulations to describe the properties of water inside a narrow graphite channel. Two stable phases were found: a low-density one made of water clusters adsorbed on the graphite sheets and a liquid one that fills the entire channel, forming several layers around a bulklike region. We analyzed the interfacial structure, orientational order, water residence times in several regions, and hydrogen bonding of this last water phase, calculating also a quantity of electrochemical interest, the probability of electron tunneling through interfacial water. The results are in good qualitative agreement with the available experimental data. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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