Theoretical study of NO adsorbed on the surface of TiO₂(110) cluster model

Abstract

The chemisorption properties of N 18 O adsorption on TiO 2 (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 N 2 molecules were at (low) temperature of 230 K, 450 K, and (high) temperature of 980 K. This meant that N 18 O decomposed and recombined during the process of N 2 desorption after N 18 O was exposed. Analysis of the stable combination and orbital theory calculation of the surface reaction of NO adsorption on the TiO 2 (110) cluster model showed that there was clear preference for the Ti-NO orientation.