Abstract: The chemisorption properties of N¹⁸O adsorption on TiO₂(110) surface were investigated by experimental and theoretical methods. The results of temperature programmed desorption (TPD) indicated that the temperatures of the three desorption peaks of the main N₂ molecules were at (low) temperature of 230 K, 450 K, and (high) temperature of 980 K. This meant that N¹⁸O decomposed and recombined during the process of N₂ desorption after N¹⁸O was exposed. Analysis of the stable combination and orbital theory calculation of the surface reaction of NO adsorption on the TiO₂(110) cluster model showed that there was clear preference for the Ti-NO orientation.

Key words: Adsorption, TPD, Cluster model, Molecular orbital theory calculation

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