✦ LIBER ✦

Theoretical Study of O-Assisted Selective Coupling of Methanol on Au(111)

✍ Scribed by Xu, Bingjun; Haubrich, Jan; Baker, Thomas A.; Kaxiras, Efthimios; Friend, Cynthia M.

Book ID: 120311829
Publisher: American Chemical Society
Year: 2011
Tongue: English
Weight: 34 KB
Volume: 115
Category: Article
ISSN: 1932-7447
DOI: 10.1021/jp110835w

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A Theoretical Study of Catalytic Couplin

A Theoretical Study of Catalytic Coupling of Propyne on Cu{111}

✍ Clotet, A.; Ricart, J. M.; Illas, F.; Pacchioni, G.; Lambert, R. M. 📂 Article 📅 2000 🏛 American Chemical Society 🌐 English ⚖ 294 KB

Selective oxidation of propylamine on ox

Selective oxidation of propylamine on oxygen-covered Au(111): a DFT study

✍ Xian-Yong Pang, Juan-Juan Wang, Gui-Chang Wang 📂 Article 📅 2012 🏛 Springer-Verlag 🌐 English ⚖ 680 KB

Theoretical study of vibrational couplin

Theoretical study of vibrational coupling effects on the isomerization reaction CH3O → CH2OH in frozen methanol

✍ Hiroto Tachikawa; Sten Lunell; Crister Törnkvist; Anders Lund 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 653 KB

Magnetic moments, exchange coupling, and

Magnetic moments, exchange coupling, and crossover temperatures of Co clusters on Pt(111) and Au(111)

✍ Šipr, O; Bornemann, S; Minár, J; Polesya, S; Popescu, V; Šimůnek, A; Ebert, H 📂 Article 📅 2007 🏛 Institute of Physics 🌐 English ⚖ 424 KB

Theoretical study of H2O and O2adsorptio

Theoretical study of H2O and O2adsorption on Au small clusters

✍ Mitsutaka Okumura; Masatake Haruta; Yasutaka Kitagawa; Kizashi Yamaguchia 📂 Article 📅 2007 🏛 World Gold Council 🌐 English ⚖ 543 KB

Selective oxidation of styrene on an oxy

Selective oxidation of styrene on an oxygen-adsorbed Au(111): A density functional theory study

✍ Li-Qin Xue; Xian-Yong Pang; Gui-Chang Wang 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 389 KB

## Abstract The reaction mechanism for the styrene selective oxidation on the oxygen preadsorbed Au(111) surface has been studied by the density functional theory calculation with the periodic slab model. The calculated results showed that the process of reaction includes two steps: forming the oxa