Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
91 (1989), S. 467-472
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We have simulated a slab of water with two-dimensional periodic boundary conditions between two metallic walls. The entire compliment of charges, arising from periodic reproductions and from classical images in the metal, are included explicitly by mapping onto a problem with three-dimensional periodicity which is handled by usual Ewald summation methods. Results are presented for charged and uncharged surfaces, permitting an estimate of the differential capacitance arising from the layer of water near the walls. The estimate is about a factor of 2 smaller than the observed differential capacitance of metal–aqueous electrolyte interfaces.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.457481
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