𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Adsorption of Water on the Si(100) Surface: An Ab Initio and QM/MM Cluster Study †

✍ Scribed by Jung, Yousung; Choi, Cheol Ho; Gordon, Mark S.


Book ID
120250811
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
124 KB
Volume
105
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio studies of Ge addimers on the
✍ Q.-M. Zhang; Huimin Cai; Zhenyu Zhang 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 222 KB 👁 2 views

The atomic and electronic structures of Ge dimers adsorbed on top of a Si(100) flat surface has been investigated by first-principles molecular dynamics method. Four high-symmetry configurations have been considered and thoroughly relaxed. The most stable configuration for Ge dimers is found to be o

Ab initio study of epitaxial growth on s
✍ V. Milman 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 172 KB 👁 2 views

Diffusion of a Si adatom over the reconstructed Si 100 surface with a single-height step on it is studied using the pseudopotential total energy method. The S rebonded step is B shown to act as a good sink for adatoms descending onto the lower ledge. This is due to the presence of deep traps on the

QM/QM study of the coverage effects on t
✍ Hugo R. R. Santos; Gregori Ujaque; Maria J. Ramos; José A. N. F. Gomes 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 189 KB

## Abstract In this work, we have tested 30 different adsorption situations in several coverage scenarios for the 1‐amino‐3‐cyclopentene (ACP) molecule on the Si(100) surface. We have used a five‐spot testing zone inserted in the high‐level part of a quantum‐mechanical/quantum‐mechanical study perf