The structural properties of silica's free surface affect a number of phenomena, such as surface catalysis or the deposition of metallic films, In this work we present a study on the structure of the silica surface based on molecular dynamics simulations. We have computed the bond-angle and bond-length distribution functions at different surface penetrations, as well as surface defect properties. All these features are affected by the Si/O ratio in the surface legion which differs from the interior.
Structural properties of silica surface: A classical molecular dynamics study
Trioni MI;
1997
Abstract
The structural properties of silica's free surface affect a number of phenomena, such as surface catalysis or the deposition of metallic films, In this work we present a study on the structure of the silica surface based on molecular dynamics simulations. We have computed the bond-angle and bond-length distribution functions at different surface penetrations, as well as surface defect properties. All these features are affected by the Si/O ratio in the surface legion which differs from the interior.File in questo prodotto:
File | Dimensione | Formato | |
---|---|---|---|
prod_268831-doc_74753.pdf
solo utenti autorizzati
Descrizione: Structural properties of silica surface: A classical molecular dynamics study
Dimensione
311.85 kB
Formato
Adobe PDF
|
311.85 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.