金红石型二氧化钛（110）对水的吸附：稳态条件下表面氧空位和水通量影响的理论研究

IF 1.2 4区物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY

Revista Mexicana De Fisica Pub Date : 2023-05-01 DOI:10.31349/revmexfis.69.031004

Fatima Bouzidi, Moustafa Tadjine, A. Berbri, A. Bouhekka

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引用次数: 0

摘要

本工作的目的是强调表面氧空位和H2O通量对金红石型二氧化钛（110）处水吸附行为的影响。因此，基于不同表面原子位置的分子和离解机制，在偏微分耦合方程组中建立了一个理论模型。所提出的模型用于在原子尺度上研究这种由表面空位缺陷和水通量等几个因素控制的复杂吸附现象。本文给出的方程组在稳态情况下的解的结果有力地表明，表面氧空位的速率覆盖率在H2O的离解以及通量中起着重要作用，通量是水在TiO2（110）上吸附行为和OH基团的速率覆盖的关键因素。

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

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 TiO2 (110) and the rate coverage of OH groups.

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来源期刊

Revista Mexicana De Fisica 物理-物理：综合

CiteScore

2.20

自引率

11.80%

发文量

审稿时长

4-8 weeks

期刊介绍： Durante los últimos años, los responsables de la Revista Mexicana de Física, la Revista Mexicana de Física E y la Revista Mexicana de Física S, hemos realizado esfuerzos para fortalecer la presencia de estas publicaciones en nuestra página Web ( http://rmf.smf.mx).