𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of MoS2 and Li adsorbed on the (101̄0) face of MoS2

✍ Scribed by Alexiev, Valentin; Prins, Roel; Weber, Thomas

Book ID
120344997
Publisher
Royal Society of Chemistry
Year
2000
Tongue
English
Weight
378 KB
Volume
2
Category
Article
ISSN
1463-9076

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Graphene adhesion on MoS2 monolayer: An
Graphene adhesion on MoS2 monolayer: An ab initio study
✍ Ma, Yandong; Dai, Ying; Guo, Meng; Niu, Chengwang; Huang, Baibiao 📂 Article 📅 2011 🏛 The Royal Society of Chemistry 🌐 English ⚖ 313 KB

The geometric and electronic structures of graphene adsorption on MoS 2 monolayer have been studied by using density functional theory. It is found that graphene is bound to MoS 2 with an interlayer spacing of 3.32 A and with a binding energy of À23 meV per C atom irrespective of adsorption arrange

Ab initio MO studies on the isomers of S
Ab initio MO studies on the isomers of Si2BH3
✍ G. Subramanian; Eluvathingal D. Jemmis; Bharatam V. Prasad 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 459 KB

Ab initio molecular orbital calculations at the QCISD (T) /6-3 1 G\* level on the isomers of Si2BH3 indicate the global minimum to be a hydrogen-bridged structure with 2x electron delocalization and planar tetra coordination around boron. Disilaborirene, analogous to borirene, lies slightly higher i