Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model
In: Chemical Physics, Jg. 213 (1995), Heft 1, S. 211 - 216
Titel:
Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model
Autor*in:
Kohlmeyer, Axel;Witschel, Wolfgang;Spohr, EckhardUDE
- GND
- 143257005
- LSF ID
- 49123
- ORCID
- 0000-0001-8148-7575
- Sonstiges
- der Hochschule zugeordnete*r Autor*in
Erscheinungsjahr:
1995
Abstract:
We report results of a comparative computer simulation study of polarizable and non-polarizable water near realistic metal surfaces. The simulations indicate that the explicit treatment of molecular polarizability does not significantly alter the interfacial structure.