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Thiophene adsorbed on cuboid TiO2 nanoparticle variant 1

Thiophene molecule adsorbed on the surface of TiO2 anatase nanoparticle of cuboid shape. 

The nanoparticle contains 3x3x2 = 18 elementary unit cells of anatase lattice. 

Surface atoms are different in the different parts of the nanoparticle surface. 

Hence, there are multiple variants of adsorption. 

This is variant #1. 

 

Cluster Models