𝔖 Bobbio Scriptorium
✦   LIBER   ✦

DFT study of BaTiO3(001) surface with O and O2adsorption

✍ Scribed by G. Rakotovelo; P. S. Moussounda; M. F. Haroun; P. Légaré; A. Rakotomahevitra; J. C. Parlebas

Book ID
111622254
Publisher
Springer
Year
2007
Tongue
English
Weight
409 KB
Volume
57
Category
Article
ISSN
1434-6036

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Conversion of N2O to N2 on MgO (001) sur
Conversion of N2O to N2 on MgO (001) surface with vacancy: A DFT study
✍ Yi-Jun Xu; Jun-Qian Li; Yong-Fan Zhang 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 669 KB

## State Key Laboratory of Structural Chemistry, Fuzhou , Fujhn 350002, China The adsorption and decomposition of NzO at regular and defect sites of MgO (001) surface have been studied using cluster models embedded in a large array of point charges (PCs) by DFTn3LYP method. The results indicate th