𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structural and electronic properties of atomic oxygen adsorption on Pt(1 1 1): A density-functional theory study

✍ Scribed by Qing Pang; Yan Zhang; Jian-Min Zhang; Ke-Wei Xu

Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
996 KB
Volume
257
Category
Article
ISSN
0169-4332

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The oxygen reduction reaction mechanism
The oxygen reduction reaction mechanism on Pt(1 1 1) from density functional theory calculations
✍ Vladimir TripkoviΔ‡; Egill SkΓΊlason; Samira Siahrostami; Jens K. NΓΈrskov; Jan Ros πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 544 KB

We study the oxygen reduction reaction (ORR) mechanism on a Pt(1 1 1) surface using density functional theory calculations. We find that at low overpotentials the surface is covered with a half dissociated water layer. We estimate the barrier for proton transfer to this surface and the barrier for p

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