| Yazarlar (1) |
Prof. Dr. Emine Esra KASAPBAŞI
|
| Özet |
| In this study photocatalytic activity of TiO2 doped with C(IV) has been investigated using DFT (Density Functional Theory) calculations. This calculations are utilized to illuminate and classify the effect of C(IV)-doping on the electronic and structural properties of TiO2, neutral, stoichiometric clusters Ti7O18H and Ti25O55H10 cut from the anatase bulk structure and three new models for the C(IV)-doped TiO2 were developed. The DFT calculations were carried out by the hybrid B3LYP functional, by using double-zeta, LanL2DZ basis set. The DFT calculations indicated that C(IV)-doping of TiO2 enhances the visible-light photocatalytic activity. |
| Anahtar Kelimeler |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | Diğer hakemli uluslarası dergilerde yayınlanan tam makale |
| Dergi Adı | INTERNATIONAL JOURNAL OF ELECTRONICS; MECHANICAL andMECHATRONICS ENGINEERING |
| Dergi Tarandığı Indeksler | ebsco |
| Makale Dili | İngilizce |
| Basım Tarihi | 01-2013 |
| Cilt No | 3 |
| Sayı | 4 |
| Sayfalar | 653 / 660 |
