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Prediction of the Main Route in the TiO2‐Photocatalyzed Degradation of Organic Compounds in Water by Density Functional Calculations |
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| Authors: | Prof. Dr. Hiroaki Tada Qiliang Jin Prof. Dr. Hisayoshi Kobayashi |
| Affiliation: | 1. Department of Applied Chemistry, School of Science and Engineering, Kinki University, 3‐4‐1, Kowakae, Higashi‐Osaka, Osaka 577‐8502 (Japan);2. Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo‐ku, Kyoto, 606‐8585 (Japan) |
| Abstract: | |
| Keywords: | density functional calculations Marcus– Gerischer model photocatalysis reaction mechanisms titanium dioxide |