Published in

Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 22(1), p. 6670, 2013

DOI: 10.1039/c3ta10647k

Links

Tools

Export citation

Search in Google Scholar

SnO-nanocluster modified anatase TiO2 photocatalyst: exploiting the Sn(II) lone pair for a new photocatalyst material with visible light absorption and charge carrier separation

Journal article published in 2013 by Anna Iwaszuk, Michael Nolan ORCID
This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Orange circle
Postprint: archiving restricted
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

Modifying TiO 2 to design new photocatalysts with visible light absorption and reduced charge carrier recombination for photocatalytic depollution or water splitting is a very active field. A promising approach is to deposit small nanoclusters of a metal oxide on a semiconducting oxide 10 such as TiO 2 or ZnGa 2 O 4 . In this paper we present a first principles density functional theory (DFT) investigation of a novel concept in photocatalyst materials design: Sn(II)O nanoclusters supported on TiO 2 anatase (001) and demonstrate that the presence of the Sn(II)-O lone pair in the nanoclusters gives a new approach to engineering key properties for photocatalysis. The modification of anatase with Sn(II)O reduces the band gap over unmodified anatase, thus 15 activating the material to visible light. This arises from the upwards shift of the valence band, due to the presence of the Sn 5s-O 2p lone pair in the nanocluster. Enhanced charge separation, which is key for photocatalytic efficiency, arises from the separation of electrons and holes onto the anatase surface and the Sn(II)O nanocluster. This work realises a new strategy of exploiting the lone pair in elements such as Sn to raise the VB edge of modified TiO 2 and enhance charge 20 separation in new photocatalyst materials.