Energy Band Alignment between Anatase and Rutile TiO2
Journal article, 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.
Author
Verena Pfeifer
Technische Universität Darmstadt
Paul Erhart
Chalmers, Applied Physics, Materials and Surface Theory
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-Subject Categories
Physical Chemistry
Materials Chemistry
Other Physics Topics
Condensed Matter Physics
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
Areas of Advance
Materials Science
DOI
10.1021/jz402165b