Hello everyone,
I run a calculation on a surface of Cu2O which does not have an electric
dipole (zero).
But after putting an ozone molecule to make an adsorption on it, at the
end of the job, I obtain a significant value of an electric dipole which
is more important in the direction of the normal to the surface.
Do you think this is due to the dissymetry made to the system. Or do you
have any other explanation.
Thank you in advance
--
Hela OUALI
Doctorante
Université Aix-Marseille et Université Tunis El Manar
IM2NP et LMMA
+33 (0) 7 81 11 30 43
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