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The dissociative adsorption of water on Ti 5c sites, where K3 and K4 are the rates constants of dissociation and recombination reaction, respectively.

The dissociative adsorption of water on Ti 5c sites, where K3 and K4 are the rates constants of dissociation and recombination reaction, respectively.

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FIGURE 1. Structure of rutile TiO2 (110) surface in the z-direction,...
FIGURE 3. The dissociative adsorption of water on Ti 5c sites, where K3...
FIGURE 5. a) The effect of oxygen vacancies on the production OH...
FIGURE 6. Kinetic curves for the OH hydroxyls at rutile TiO 2 (110)...
+4 FIGURE 7. The coverage of bridging oxygen change versus: a) the...
Water adsorption on rutile titanium dioxide (110): Theoretical study of the effect of surface oxygen vacancies and water flux in the steady state case
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  • Jun 2023
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...
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... balls hydrogen (oxygen of water) atoms, K1, K 2 are the rates constants of adsorption and desorption respectively. hydroxyl groups OH t and OH b respectively, which was discussed in details in Ref. [3] with dissociation energy toward 0.36 eV and 0.41 eV, when annealing the surface to room temperature under reaction (2) [31][32][33] as shown in Fig. 3. This competition between molecular and dissociated adsorption is mostly governed by the basic strength of the bridging O atom receiving the ...