Energy Band Alignment between Anatase and Rutile TiO2
Artikel i vetenskaplig tidskrift, 2013
Using photoelectron spectroscopy, the interface formation of anatase and rutile TiO2 with RuO2 and tin-doped indium oxide (ITO) is studied. It is consistently found that the valence band maximum of rutile is 0.7 ± 0.1 eV above that of anatase. The alignment is confirmed by electronic structure calculations, which further show that the alignment is related to the splitting of the energy bands formed by the O 2pz lone-pair orbitals. The alignment can explain the different electron concentrations in doped anatase and rutile and the enhanced photocatalytic activity of mixed phase particles.
Författare
Verena Pfeifer
Technische Universität Darmstadt
Paul Erhart
Chalmers, Teknisk fysik, Material- och ytteori
Shunyi Li
Technische Universität Darmstadt
Karsten Rachut
Technische Universität Darmstadt
Jan Morasch
Technische Universität Darmstadt
Joachim Brötz
Technische Universität Darmstadt
Philip Reckers
Technische Universität Darmstadt
Thomas Mayer
Technische Universität Darmstadt
Sven Rühle
Bar-Ilan University
Arie Zaban
Bar-Ilan University
Ivan Mora-Sero
Universidad Jaume I
Juan Bisquert
Universidad Jaume I
Wolfram Jaegermann
Technische Universität Darmstadt
Andreas Klein
Technische Universität Darmstadt
Journal of Physical Chemistry A
1089-5639 (ISSN) 1520-5215 (eISSN)
Vol. 4 23 4182-Ämneskategorier
Fysikalisk kemi
Materialkemi
Annan fysik
Den kondenserade materiens fysik
Infrastruktur
C3SE (Chalmers Centre for Computational Science and Engineering)
Styrkeområden
Materialvetenskap
DOI
10.1021/jz402165b