✦ LIBER ✦

Structural and Electronic Properties of Selected Rutile and Anatase TiO 2 Surfaces: An ab Initio Investigation

✍ Scribed by Labat, Frédéric; Baranek, Philippe; Adamo, Carlo

Book ID: 118039428
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 290 KB
Volume: 4
Category: Article
ISSN: 1549-9618
DOI: 10.1021/ct700221w

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations for the electroni

Ab initio calculations for the electronic and optical properties of Y-doped anatase TiO 2

✍ Khan, Matiullah; Cao, Wenbin; Ullah, Mishkat 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 446 KB

Structure, electronic, and optical prope

Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study

✍ Chiodo, Letizia; Salazar, Martin; Romero, Aldo H.; Laricchia, Savio; Sala, Fabio 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 967 KB

Adsorbate-Induced Modification of Surfac

Adsorbate-Induced Modification of Surface Electronic Structure: Pyrocatechol Adsorption on the Anatase TiO 2 (101) and Rutile TiO 2 (110) Surfaces

✍ Syres, Karen L.; Thomas, Andrew G.; Flavell, Wendy R.; Spencer, Ben F.; Bondino, 📂 Article 📅 2012 🏛 American Chemical Society 🌐 English ⚖ 478 KB

Structural and electronic properties of

Structural and electronic properties of Ti impurities in SiC: an ab initio investigation

✍ K.O. Barbosa; L.V.C. Assali; W.V.M. Machado; J.F. Justo 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 299 KB

Electronic and structural properties of

Electronic and structural properties of TiO2 in the rutile structure

✍ Keith M. Glassford; N. Troullier; JoséLuís Martins; James R. Chelikowsky 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 365 KB

Electronic structure of TiO2rutile with

Electronic structure of TiO2rutile with oxygen vacancies: Ab initio simulations and comparison with the experiment

✍ T. V. Perevalov; V. A. Gritsenko 📂 Article 📅 2011 🏛 Springer 🌐 English ⚖ 269 KB