We review recent theoretical studies of the surfaces and interfaces of the anatase polymorph of TiO2. We discuss aspects of the surface structure, stability, and reactivity, as well as the growth and stability of anatase-supported oxide nanostructures of catalytic interest. Finally, we report on recent investigations of two-dimensional titania systems which appear to be closely related to anatase and which may have an important role during the growth of anatase nanoparticles.

Chemistry of and on TiO2-anatase surfaces by DFT calculations: a partial review

A Vittadini;
2007

Abstract

We review recent theoretical studies of the surfaces and interfaces of the anatase polymorph of TiO2. We discuss aspects of the surface structure, stability, and reactivity, as well as the growth and stability of anatase-supported oxide nanostructures of catalytic interest. Finally, we report on recent investigations of two-dimensional titania systems which appear to be closely related to anatase and which may have an important role during the growth of anatase nanoparticles.
2007
Istituto di Scienze e Tecnologie Molecolari - ISTM - Sede Milano
DENSITY-FUNCTIONAL THEORY; TIO2 ANATASE 101; VANADIA-TITANIA CATALYSTS; FORMIC-ACID ADSORPTION; MONOLAYER CATALYSTS; MOLECULAR-DYNAMICS; PHOSPHONIC ACID; PHASE-STABILITY; 1ST PRINCIPLES; WATER
File in questo prodotto:
File Dimensione Formato  
prod_48093-doc_4306.pdf

solo utenti autorizzati

Descrizione: Chemistry of and on TiO2-anatase surfaces by DFT calculations: a partial review
Dimensione 891.58 kB
Formato Adobe PDF
891.58 kB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/30182
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus ND
  • ???jsp.display-item.citation.isi??? ND
social impact