Water adsorption on rutile titanium dioxide (110): Theoretical study of the effect of surface oxygen vacancies and water flux in the steady state case
Título del documento: Water adsorption on rutile titanium dioxide (110): Theoretical study of the effect of surface oxygen vacancies and water flux in the steady state case
Revista: Revista mexicana de física
Base de datos:
Número de sistema: 000592461
ISSN: 0035-001X
Autores: 1
1
1
2
Instituciones: 1University Hassiba Ben Bouali of Chlef, Faculty of Exact Sciences and Informatics, Chlef. Argelia
2Tissemsilt University, Faculty of Sciences and Technology, Argelia
3Oran 1 Ahmed Ben Bella University, Thin-Film Physics Laboratory and Materials for Electronics, Oran. Argelia
4University Hassiba Ben Bouali of Chlef, Laboratory of Mechanics and Energy, Chlef. Argelia
Año:
Periodo: May-Jun
Volumen: 69
Número: 3
País: México
Idioma: Inglés
Resumen en inglés The aim purpose of the present work is highlighting the impact of surface oxygen vacancies and H2O flux on the behavior of water adsorption at the rutile titanium dioxide (110). Therefore, a theoretical model, based on molecular and dissociation mechanisms at different surface atomic sites, was formulated in a system of partial differential coupled equations. The proposed model used to study, in an atomic scale, this complex phenomenon of adsorption governed by several factors including surface vacancies defects and water flux. The findings of the solution of the system of equations in the steady state case, presented in this paper, strongly indicated that the rate coverage of surface oxygen vacancies has an important role in the dissociation of H2O as well as the flux which is a key factor in the behavior of water adsorption on the rutile TiO2 (110) and the rate coverage of OH groups.
Keyword: Water adsorption,
Rutile titanium dioxide (110),
Oxygen vacancies,
Hydroxyls groups,
H2O flux,
Steady state
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