𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio electronic structure study of methyl adsorption and reaction on cluster models for the diamond surface

✍ Scribed by Brown, Ronald C.; Cramer, Christopher J.; Roberts, Jeffrey T.

Book ID
123305035
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
265 KB
Volume
10
Category
Article
ISSN
0925-9635

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Diamond (111) and (100) surface: ab init
Diamond (111) and (100) surface: ab initio study of the atomic and electronic structure
✍ A. Scholze; W.G. Schmidt; P. KΓ€ckell; F. Bechstedt πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 407 KB

Within the framework of density-functional theory in local-density approximation (DFT-LDA) we perform first-principles calculations for the atomic and electronic structure of diamond surfaces. The electron-ion interaction is described by a soft non-local carbon pseudopotential. For the C(100) surfac