𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Unrestricted density functional study on the adsorption of hydrogen molecule on nickel surface

✍ Scribed by Ryo Ishiwatari; Masanori Tachikawa

Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
143 KB
Volume
735-736
Category
Article
ISSN
0022-2860

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

Density functional study of oxygen adsor
Density functional study of oxygen adsorption on the Mg3Nd (0 0 1) surface
✍ Xuemin Wang; Changle Sheng; Yuyin Wang; Liping Peng; Weidong Wu; Yongjian Tang πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 447 KB

The adsorption of oxygen atoms on Mg 3 Nd (0 0 1) surface was studied based on density function theory (DFT), in which the exchange-correlation potential was chosen as the generalized gradient approximation (GGA) in the Perdew and Wang (PW91). The most preferred adsorption position was at the tophol