✦ LIBER ✦

The rutile TiO[sub 2] (110) surface: Obtaining converged structural properties from first-principles calculations

✍ Scribed by Hameeuw, K. J.; Cantele, G.; Ninno, D.; Trani, F.; Iadonisi, G.

Book ID: 121805654
Publisher: American Institute of Physics
Year: 2006
Tongue: English
Weight: 698 KB
Volume: 124
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.2136158

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles calculations of hydroge

First-principles calculations of hydrogen diffusion on rutile TiO[sub 2](110) surfaces

✍ Kajita, Seiji; Minato, Taketoshi; Kato, Hiroyuki S.; Kawai, Maki; Nakayama, Taka 📂 Article 📅 2007 🏛 American Institute of Physics 🌐 English ⚖ 547 KB

A systematic study of the surface energe

A systematic study of the surface energetics and structure of TiO2(110) by first-principles calculations

✍ S.P. Bates; G. Kresse; M.J. Gillan 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 570 KB

Updated references for the structural, e

Updated references for the structural, electronic, and vibrational properties of TiO[sub 2](B) bulk using first-principles density functional theory calculations

✍ Ben Yahia, Mouna; Lemoigno, Frédéric; Beuvier, Thomas; Filhol, Jean-Sébastien 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 895 KB

Understanding the Electronic Structures

Understanding the Electronic Structures of Graphene Quantum Dot Physisorption and Chemisorption onto the TiO 2 (110) Surface: A First-Principles Calculation

✍ Long, Run 📂 Article 📅 2013 🏛 John Wiley and Sons 🌐 English ⚖ 463 KB

Cu atoms and clusters on regular and def

Cu atoms and clusters on regular and defect sites of the SiO2 surface. Electronic structure and properties from first principle calculations

✍ Pacchioni, Gianfranco; Lopez, Nuria; Illas, Francesc 📂 Article 📅 1999 🏛 Royal Society of Chemistry 🌐 English ⚖ 255 KB