✦ LIBER ✦

Growth of noble metal nanostructures on the Bi nanoline surface: A first-principles study

✍ Scribed by H. Koga; T. Ohno

Publisher: Elsevier Science
Year: 2007
Tongue: English
Weight: 991 KB
Volume: 140
Category: Article
ISSN: 0921-5107
DOI: 10.1016/j.mseb.2007.03.014

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A theoretical study of Fe adsorption alo

A theoretical study of Fe adsorption along Bi-nanolines on the H/Si(0 0 1) surface

✍ R.H. Miwa; W. Orellana; G.P. Srivastava 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 476 KB

We have investigated the energetic stability and equilibrium geometry of the adsorption of transition metal Fe atoms near the self-organized Bi lines on hydrogen passivated Si(0 0 1) surface. Our total energy results show that there is an attractive interaction between Fe adatoms along the Binanolin

The relationship between adsorption ener

The relationship between adsorption energies of methyl on metals and the metallic electronic properties: A first-principles DFT study

✍ Gui-Chang Wang; Jun Li; Xiu-Fang Xu; Rui-Fang Li; Junji Nakamura 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB

## Abstract A theoretical study of CH~3~ adsorbed on the (111) surface of some transition and noble metal surfaces M (M = Cu, Ni, Rh, Pt, Pd, Ag, Au) and on the Fe(100) is presented. We find that the hollow site is preferred more than the top one for Fe, Ni, Rh, and Cu, but it is the other way for

A first principle study of the structura

A first principle study of the structural, vibrational and electronic properties of tetrathiafulvalene adsorbed on Ag(110) and Au(110) surfaces

✍ Benjamí Martorell; Anna Clotet; Jordi Fraxedas 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 491 KB

## Abstract We have studied the adsorption properties of a charge donor organic molecule, tetrathiafulvalene (TTF), on the (110) surfaces of silver and gold by means of the generalized gradient approach of the density functional theory using periodic slab models. This molecule is the core building

Adsorption of O2 on the CaO and SrO (1&#

Adsorption of O2 on the CaO and SrO (1 0 0) surfaces: A first-principles study

✍ Lizhi Wang 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 550 KB

The Role of Surface and Subsurface Point

The Role of Surface and Subsurface Point Defects for Chemical Model Studies on TiO2: A First-Principles Theoretical Study of Formaldehyde Bonding on Rutile TiO2(110)

✍ Dr. Jan Haubrich; Prof. Efthimios Kaxiras; Prof. Cynthia M. Friend 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 562 KB

## Abstract We report a systematic investigation of the effects of different surface and subsurface point defects on the adsorption of formaldehyde on rutile TiO~2~(110) surfaces using density functional theory (DFT). All point defects investigated—including surface bridging oxygen vacancies, titan