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Theoretical calculation of the capacity of an electrode/liquid electrolyte interface
Author(s) -
Mola E. E.,
Vicente J. L.
Publication year - 1987
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560320736
Subject(s) - jellium , electrolyte , electrode , planar , charge (physics) , ion , metal , chemical physics , plane (geometry) , liquid metal , chemistry , solvent , materials science , molecular physics , physics , geometry , quantum mechanics , computer graphics (images) , mathematics , organic chemistry , computer science
A self‐consistent model capable of describing the interaction of a metal electrode/liquid electrolyte interface is presented. As in a real system, a capacity maximum shifted towards positive charges is obtained from the model. The metal is represented by the planar uniform background model (jellium). The solvent is described by a polar liquid whose response to charge is accounted for in terms of the local approximation. The interaction between the metal and ions is modelled by a charged plane placed near the metal surface. Charge neutrality of the whole system is preserved. The present model is a good approximation for highly concentrated solutions.