Effect of Surface Chemistry on Water Interaction with Cu(111)
The interfacial dynamics of water in contact with bare, oxidized, and hydroxylated copper surfaces are examined using classical molecular dynamics (MD) simulations. A third-generation charge-optimized many-body (COMB3) potential is used in the MD simulations to investigate the adsorption of water mo...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 32(2016), 32 vom: 16. Aug., Seite 8061-70
|
|---|
| 1. Verfasser: |
Antony, Andrew C
(VerfasserIn) |
|---|
| Weitere Verfasser: |
Liang, Tao,
Akhade, Sneha A,
Janik, Michael J,
Phillpot, Simon R,
Sinnott, Susan B |
|---|
| Format: | Online-Aufsatz
|
|---|
| Sprache: | English |
|---|
| Veröffentlicht: |
2016
|
|---|
| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids
|
|---|
| Schlagworte: | Journal Article
Research Support, U.S. Gov't, Non-P.H.S. |
|---|