Structure and stability of the anatase TiO2 (101) and (001) surfaces

Modification of Transparent Conducting Oxide ( TCO ) Electrodes through Silanization and Chemisorption of Small Molecules

“…This metal oxide, empirical formula MO x , is stoichiometric, having no defects or surface hydrolysis products, and can be considered as a typical platform for understanding the modification of most TCO thin film materials of electrochemical interest. TCO films are typically deposited by sputtering, chemical vapor deposition, or pulsed laser deposition, and tend to be ''microcrystalline'' whose dominant exposed faces tend to be either 111 or 100 lattice terminations [19][20][21][22][23]. The structure and electronic properties of several TCO films can be summarized as follows: Indium-Tin Oxide (ITO): ITO has the complex unit cell of indium oxide (bixbyite lattice) consisting of more than 80 atoms.…”

Adsorption of selected ions on the anatase TiO2(101) surface: a density-functional study

“…However, while the surfaces of rutile have been extensively investigated [53,67] due to the limited availability of sufficiently large anatase single crystals the fundamental surface properties of this polymorph are still largely unexplored. Only very recently, thanks to improved sample preparation techniques, have experimental studies of well defined anatase surfaces started to appear [68,69].…”

Interface Structure of Gold Particles on TiO<SUB>2</SUB> Anatase

“…Both are organized in tetragonal lattices but in different unit cells exhibiting different physical and chemical behavior. It is the anatase that plays often an essential role in a number of charge-separating events, 16) such as dye-sensitized solar cells, so that it is quite indispensable to study interfacial structures of gold particles on the anatase surfaces. In this light, some important structural studies on the gold particles on anatase surface have been performed so far.…”