✦ LIBER ✦

Adsorption of Proline and Glycine on the TiO2(110) Surface: A Density Functional Theory Study

✍ Scribed by Ralf Tonner

Publisher: John Wiley and Sons
Year: 2010
Tongue: English
Weight: 587 KB
Volume: 11
Category: Article
ISSN: 1439-4235
DOI: 10.1002/cphc.200900902

No coin nor oath required. For personal study only.

📜 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 Fernández Sanz 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 220 KB 👁 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

Adsorption of Methanol and Methoxy on Cu

Adsorption of Methanol and Methoxy on Cu(111) Surface: A First-principles Periodic Density Functional Theory Study

✍ Wen-Kai Chen; Shu-Hong Liu; Mei-Juan Cao; Chun-Hai Lu; Ying Xu; Jun-Qian Li 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 144 KB

Adsorption of Supramolecular Building Bl

Adsorption of Supramolecular Building Blocks on Graphite: A Force Field and Density Functional Theory Study

✍ Daniela Künzel; Katrin Tonigold; Dr. Jan Kučera; Michael Roos; Prof. Dr. Harry E 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 610 KB

Ab Initio Density Functional Theory Stud

Ab Initio Density Functional Theory Studies of Hydrogen Adsorption at the V2O5(010) Surface

✍ Hermann, K. ;Chakrabarti, A. ;Druzinic, R. ;Witko, M. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 272 KB 👁 2 views

Adsorption of aniline on silver mirror s

Adsorption of aniline on silver mirror studied by surface-enhanced Raman scattering spectroscopy and density functional theory calculations

✍ Yajing Qi; Yongjun Hu; Min Xie; Da Xing; Huaimin Gu 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 240 KB 👁 1 views

## Abstract The adsorption of aniline on a silver mirror was studied by surface‐enhanced Raman scattering (SERS) spectroscopy and density functional theory (DFT) calculation methods. The normal Raman and SERS spectra of pure aniline liquid and its solutions were recorded by a micro‐Raman spectromet

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 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 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 investigated—including surface bridging oxygen vacancies, titan