| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382495 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
⺠We explore the electronic states of acetonitrile on the anatase (1 0 1) TiO2 surface. ⺠DFT/HSE06 shows that acetonitrile hybridized with O not Ti on the surface. ⺠This mechanism accounts for the geometry and coverage of acetonitrile on the surface.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Masato Sumita, Keitaro Sodeyama, Ryota Jono, Liyuan Han, Yoshitaka Tateyama,