𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Adsorption of catechol on a wet silica surface: density functional theory study

✍ Scribed by Shabeer Ahmad Mian; Xingfa Gao; Shigeru Nagase; Joonkyung Jang

Publisher
Springer
Year
2011
Tongue
English
Weight
674 KB
Volume
130
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Density Functional Study on Adsorption o
Density Functional Study on Adsorption of NO on AuSe (010) Surface
✍ Xiang-Lan XU; Wen-Kai CHEN; Xia WANG; Bao-Zhen SUN; Yi LI; Chun-Hai LU πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 307 KB

## Abstract NO molecule adsorption on (010) surface of gold selenide (AuSe) has been studied with a periodic slab model by means of the GGA‐PW91 exchange‐correlation functional within the framework of density functional theory (DFT). Four different on‐top adsorption sites Au(1), Au(2), Se(1) and Se

Solvent effects on adsorption of CO over
Solvent effects on adsorption of CO over CuCl(1 1 1) surface: A density functional theory study
✍ Riguang Zhang; Lixia Ling; Baojun Wang; Wei Huang πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 369 KB

DFT calculations have been performed to investigate the effect of dielectric responses of the solvent environment on the CO adsorption over CuCl(1 1 1) surface by using COSMO (conductor-like solvent model) model in Dmol 3 . Different dielectric constants, including vacuum, liquid paraffin, methylene