Напруженість електростатичного поля в околі неоднорідностей на поверхні поруватого силіцію
Equilibrium spatial structure of the Si89(OH)43H*36 cluster model simulated for a pyramid-like formation on porous silicon surface has been calculated within the frameworks of density functional theory method with 6-31G** basis set. The electron charge and electrostatic field distribution have been...
Gespeichert in:
| Datum: | 2010 |
|---|---|
| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | Englisch |
| Veröffentlicht: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2010
|
| Online Zugang: | https://www.cpts.com.ua/index.php/cpts/article/view/28 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| Назва журналу: | Chemistry, Physics and Technology of Surface |
Institution
Chemistry, Physics and Technology of Surface| Zusammenfassung: | Equilibrium spatial structure of the Si89(OH)43H*36 cluster model simulated for a pyramid-like formation on porous silicon surface has been calculated within the frameworks of density functional theory method with 6-31G** basis set. The electron charge and electrostatic field distribution have been evaluated in the vicinity of such a formation. The electrostatic field tensity has been found to be great enough to ionize adsorbed organic molecules. |
|---|