A QUANTUM-CHEMICAL APPROACH FOR THE ESTIMATION OF THE CAPACITY OF A METAL

Authors
NAZMUTDINOV RR PROBST M HEINZINGER K
Citation
Rr. Nazmutdinov et al., A QUANTUM-CHEMICAL APPROACH FOR THE ESTIMATION OF THE CAPACITY OF A METAL, Chemical physics letters, 221(3-4), 1994, pp. 224-229
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
221
Issue
3-4
Year of publication
1994
Pages
224 - 229
Database
ISI
SICI code
0009-2614(1994)221:3-4<224:AQAFTE>2.0.ZU;2-2
Abstract
The metal capacity C(Me) for the Pt(100)/H2O interface has been calcul ated in terms of a cluster model as a function of the electrode charge using results of MD simulations. The function C(Me) was found to be n egative and to decrease with positive surface charges. It has been sho wn that the total capacity of the compact layer increases with the ano dic Polarization.