The 70th JSAP Spring Meeting 2023

Presentation information

Oral presentation

CS Code-sharing session » 【CS.5】 Code-sharing Session of 6.5 & 7.6

[18a-D519-1~11] CS.5 Code-sharing Session of 6.5 & 7.6

Sat. Mar 18, 2023 9:00 AM - 12:00 PM D519 (Building No. 11)

Masahito Tagawa(Kobe Univ.), Masaru Takizawa(立命館大)

9:00 AM - 9:15 AM

[18a-D519-1] Polaron tunneling effects on H2 generation on photo-catalytic Rutile TiO2

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

Keywords:hydrogen, rutile, polaron

H atoms dissociated in water on photo-catalytic rutile TiO2 have been found to meet together on a single O atom, and to desorb as a H2 molecule through tunnel transitions. The migrating H atoms accompany polarons. The polarons are located on Ti atoms, but finally fly to the H2 molecule and disappear. The polarons feel the final potential barrier, and are found to tunnel through the barrier during the H atom tunneling.