Thermal diffusion separation calculation example

Detailed analysis of the Oad positions following dissociation at room temperature shows that most Oad are found one lattice constant (in the [0 0 1] direction) away from the Ob-vac that is filled, the rest being immediately adjacent and two lattice constants away [50]. As there is little thermal diffusion of Oad on Ti02(l 1 0), the separation of Oad from the closest positions to the reacting Ob-vacs was attributed to the energy released during the exothermic dissociation of 02 (calculated at 3.5 eV [18]) in a similar way to that observed, for example, for Cl2 dissociation on Ti02(l 1 0) [51],... 

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