𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Distribution and magnetization of Co near the rutile TiO2 (110) surface: A first-principles study

✍ Scribed by X.G. Xu; Y. Jiang; G.H. Yu; Q.L. Liu; W.T. Geng

Book ID
108241075
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
302 KB
Volume
372
Category
Article
ISSN
0375-9601

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

First principles study of Na adsorption
First principles study of Na adsorption on TiO2 (110) surface
✍ M. A. San Miguel; C. J. Calzado; Javier FernΓ‘ndez Sanz πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 220 KB πŸ‘ 2 views

The activation of the 110 TiO rutile surface by deposition of alkali 2 metal atoms has been the subject of some recent experimental studies. These results indicate a reduction of the surface when sodium atoms are deposited on it. In the present work, this process has been studied by means of ab init

The Role of Surface and Subsurface Point
The Role of Surface and Subsurface Point Defects for Chemical Model Studies on TiO2: A First-Principles Theoretical Study of Formaldehyde Bonding on Rutile TiO2(110)
✍ Dr. Jan Haubrich; Prof. Efthimios Kaxiras; Prof. Cynthia M. Friend πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 562 KB

## Abstract We report a systematic investigation of the effects of different surface and subsurface point defects on the adsorption of formaldehyde on rutile TiO~2~(110) surfaces using density functional theory (DFT). All point defects investigatedβ€”including surface bridging oxygen vacancies, titan