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