On the nature of the energetic surface heterogeneity in ion adsorption at a water/oxide interface: theoretical studies of some special features of ion adsorption at low ion concentrations

Langmuir ◽  
1993 ◽  
Vol 9 (10) ◽  
pp. 2641-2651 ◽  
Author(s):  
W. Rudzinski ◽  
R. Charmas ◽  
S. Partyka ◽  
J. Y. Bottero
Keyword(s):  
Surface Heterogeneity ◽  
Theoretical Studies ◽  
Ion Adsorption ◽  
Oxide Interface ◽  
Ion Concentrations

scholarly journals On the Nature of the Energetic Surface Heterogeneity in Ion Adsorption at an Electrolyte/Oxide Interface. Theoretical Studies of the Correlations between Binding-to-Surface Energies of Various Surface Complexes

1996 ◽  
Vol 14 (1) ◽  
pp. 25-38 ◽  
Author(s):  
Wladyslaw Rudziński ◽  
Robert Charmas ◽  
Wojciech Piasecki
Keyword(s):  
Surface Heterogeneity ◽  
Ion Adsorption ◽  
Surface Oxygen ◽  
Oxide Interface ◽  
Surface Complexes ◽  
Surface Energies ◽  
Outermost Surface ◽  
Energetic Heterogeneity ◽  
Total Lack ◽  
Oxide Electrolyte

When a metal oxide is brought into contact with an electrolyte, the outermost surface oxygens adsorb one or two protons, a cation or an aggregate composed of two protons and an anion. In this way, various surface complexes are formed. The actual surfaces are, as a rule, geometrically distorted. This causes a variation of the binding-to-surface energy from one surface oxygen to another for each of these complexes. This energetic heterogeneity of the actual oxide surfaces strongly affects the adsorption of ions within the electrical double layer formed at the oxide/electrolyte interface. The way in which the surface heterogeneity affects the adsorption of ions depends on the correlations between the binding-to-surface energies of the various surface complexes. To date, two extreme models have been considered by us; one assuming the existence of very high correlations, and the other one assuming a total lack of correlation between binding-to-surface energies in going from one surface oxygen to another. This paper presents a theoretical study of ion adsorption based on the assumption of a partial correlation between the binding-to-surface energies.

Theoretical Studies for Si and C Emission into SiC Layer during Oxidation

2011 ◽  
Vol 679-680 ◽  
pp. 429-432 ◽  
Author(s):  
Yasuto Hijikata ◽  
Hiroyuki Yaguchi ◽  
Sadafumi Yoshida
Keyword(s):  
Spectroscopic Ellipsometry ◽  
Theoretical Studies ◽  
Oxide Interface ◽  
Depth Profiles ◽  
Calculated Profile ◽  
Capacitance Voltage

To understand the structure of SiC–oxide interface more in detail, we propose a profiling theory of Si and C emission into SiC layer during oxidation. Simulations of the depth profiles of Si and C interstitials results in the structures analogous with those observed from a spectroscopic ellipsometry. To determine the diffusivities of Si and C interstitials, we performed capacitance–voltage measurements for examining the re-distribution profiles of nitrogen after oxidation and compared between observed and calculated profile. The calculated nitrogen profiles showed good fits to the observed ones in the case of self-diffusivity of C interstitials magnified by several 10 times for literature value. Finally, we discuss the validity of the proposed theory.

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