Molecular Simulation of the Electrochemical Double Layer
In: Electrochimica Acta, Vol. 44 (1999), No. 11, pp. 1697 - 1705
Title:
Molecular Simulation of the Electrochemical Double Layer
Author:
Spohr, EckhardUDE
- GND
- 143257005
- LSF ID
- 49123
- ORCID
- 0000-0001-8148-7575
- Other
- connected with university
Year of publication:
1999
Abstract:
Direct computer simulations of the electrochemical double layer between an aqueous electrolyte solution and a metal surface have recently become possible, although currently only at high electrolyte concentrations. In the present study molecular dynamics simulations of the structure of a 2.2 molal aqueous NaCl solution in the vicinity of an idealized metal surface are reported. Uncharged as well as positively and negatively charged metal surfaces are investigated.