✦ LIBER ✦

Ethylene and oxygen species adsorbed on a defect oxidized surface Ag(1 1 1): Theoretical analysis by DFT method

✍ Scribed by Vasilii I. Avdeev; Georgii M. Zhidomirov

Book ID: 117216132
Publisher: Elsevier Science
Year: 2001
Tongue: English
Weight: 773 KB
Volume: 492
Category: Article
ISSN: 0039-6028
DOI: 10.1016/s0039-6028(01)01431-5

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical analysis of the electronic s

Theoretical analysis of the electronic spectra of water adsorbed on the rutile TiO2 (1 1 0) and MgO (1 0 0) surfaces

✍ Vladimir Shapovalov; Yan Wang; Thanh N. Truong 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 323 KB

We present analysis of the molecular orbitals of an isolated water molecule physisorbed on the rutile TiO 2 (1 1 0) surface and MgO (1 0 0) surface. On the TiO 2 surface the 3a 1 and 1b 1 orbitals split due to the interactions with the surface atoms. This resembles the features of the experimental e

A reflection–absorption infrared spectro

A reflection–absorption infrared spectroscopic study of the adsorption of ethylene and ethylene oxide on oxygen-covered Ag(1 1 1)

✍ D Stacchiola; G Wu; M Kaltchev; W.T Tysoe 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 223 KB

A DFT investigation of potential energy

A DFT investigation of potential energy surface and vibrational properties of hydrogen adsorbed on the Rh(1 1 1) surface

✍ Wenzhen Lai; Daiqian Xie 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 929 KB

Effect of oxygen on NO adsorption on the

Effect of oxygen on NO adsorption on the Ag(1 1 1) surface: evidence for a NO3,ads species

✍ D Zemlyanov; R Schlögl 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 189 KB

Theoretical studies of arsenite adsorpti

Theoretical studies of arsenite adsorption and its oxidation mechanism on a perfect TiO2 anatase (1 0 1) surface

✍ Zhigang Wei; Shaowen Zhang; Zhanchang Pan; Yue Liu 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 551 KB

A comparison of the electronic structure

A comparison of the electronic structure and NO adsorption on the (0 0 1)-V2O5 surfaces and (0 0 1)-V2O5 surfaces with Mo defects—DFT cluster studies

✍ P. Kornelak; A. Michalak; M. Najbar 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 649 KB

Ethylene and oxygen species adsorbed on a defect oxidized surface Ag(1&#xa0;1&#xa0;1): Theoretical analysis by DFT method

Ethylene and oxygen species adsorbed on a defect oxidized surface Ag(1 1 1): Theoretical analysis by DFT method