Water adsorption on rutile titanium dioxide (110): Theoretical study of the effect of surface oxygen vacancies and water flux in the steady state case

被引：0
作者：
Bouzidi, F. [1 ,4 ]
Tadjine, M. [1 ]
Berbri, A. [1 ]
Bouhekka, A. [2 ,3 ]
机构：
[1] Hassiba Benbouali Univ Chlef, Fac Exact Sci & Informat, Dept Phys, PB 78 C,Natl Rd 19, Chlef 02180, Algeria
[2] Tissemsilt Univ, Fac Sci & Technol, Dept Mat Sci, Tissemsilt, Algeria
[3] Oran 1 Ahmed Ben Bella Univ, Thin Film Phys Lab & Mat Elect, PB 1524, Oran 31000, Algeria
[4] Hassiba Benbouali Univ Chlef, Lab Mech & Energy, Natl Rd 19, Chlef 02000, Algeria
来源：
REVISTA MEXICANA DE FISICA | 2023年 / 69卷 / 03期
关键词：
Water adsorption; rutile titanium dioxide (110); oxygen vacancies; hydroxyls groups; H2O flux; steady state; HYDROGEN-BONDS; SOLID-SURFACES; TIO2; DISSOCIATION; TIO2(110); DYNAMICS; H2O; REACTIVITY; INTERFACE; KINETICS;
D O I：
10.31349/RevMexFis.69.031004
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
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.
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页数：9
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