[21p-C106-1~11] 6.5 Surface Physics, Vacuum

[21p-C106-11] Photo-assisted H₂ generation rate on Rutile TiO₂ surfaces including zero-point motion

〇Koichi Kato¹, Katsuyuki Fukutani¹ (1.Industrial Inst. Tokyo Univ.)

Keywords:hydrogen, rutile, catalyst

H adsorption on rutite TiO2 accompanies a small polaron. Especially, it is difficult to obtain adiabatic potentials for H2 molecule desoption processes from the rutile because the small polarons disappear. By improving numerical solving techniqes, we have been successfull to obtain an accurate adiabatic potential for the reactions. We report the accurate H2 molecule desorption from the rutile including the zero-point motion.