✦ LIBER ✦

Reduced backscattering in potassium-doped nanotubes: Ab initio and semiempirical simulations

✍ Scribed by Adessi, Ch.; Roche, Stephan; Blase, X.

Book ID: 120597397
Publisher: The American Physical Society
Year: 2006
Tongue: English
Weight: 174 KB
Volume: 73
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.73.125414

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Intercalation and diffusion of lithium i

Intercalation and diffusion of lithium ions in a carbon nanotube bundle by ab initio molecular dynamics simulations

✍ Song, Bo; Yang, Junwei; Zhao, Jijun; Fang, Haiping 📂 Article 📅 2011 🏛 Royal Society of Chemistry 🌐 English ⚖ 311 KB

On the use of symmetry in the ab initio

On the use of symmetry in the ab initio quantum mechanical simulation of nanotubes and related materials

✍ Yves Noel; Philippe D'arco; Raffaella Demichelis; Claudio M. Zicovich-Wilson; Ro 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 374 KB 👁 1 views

## Abstract Nanotubes can be characterized by a very high point symmetry, comparable or even larger than the one of the most symmetric crystalline systems (cubic, 48 point symmetry operators). For example, __N__ = 2__n__ rototranslation symmetry operators connect the atoms of the (__n__,0) nanotube

Computational investigation on alcohol n

Computational investigation on alcohol nanosensors in combination with carbon nanotube: a Monte Carlo and ab initio simulation

✍ M. Monajjemi, M. Falahati, F. Mollaamin 📂 Article 📅 2012 🏛 Springer-Verlag 🌐 English ⚖ 555 KB

Ab initio molecular dynamics simulations

Ab initio molecular dynamics simulations of oxygen-deficient centers in pure and Ge-doped silica glasses: Structure and optical properties

✍ Y. Laudernet; N. Richard; S. Girard; L. Martin-Samos; A. Boukenter; Y. Ouerdane; 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 217 KB