Surface Structure of TiO2(011)-(2x1)
Overview
Authors
Affiliations
A combined experimental and first principles study of the (2x1)-reconstructed rutile TiO2(011) surface is presented. Our results provide evidence that the surface structure is described by a model that includes onefold coordinated (titanyl) oxygen atoms giving rise to double bonded Ti=O species. These species should play a special role in the enhanced photocatalytic activity of the TiO2(011) surface.
Araujo E, Pereira M, da Silva G, Tavares G, Oliveira C, Faia P Toxics. 2023; 11(8).
PMID: 37624163 PMC: 10458580. DOI: 10.3390/toxics11080658.
Ding P, Gong X J Mol Model. 2016; 22(5):114.
PMID: 27115517 DOI: 10.1007/s00894-016-2977-1.
Wang H, Ji Y, Chen J, Li G, An T Sci Rep. 2015; 5:15059.
PMID: 26455501 PMC: 4601031. DOI: 10.1038/srep15059.
Pang C, Yurtsever A, Onoda J, Sugimoto Y, Thornton G J Phys Chem C Nanomater Interfaces. 2014; 118(40):23168-23174.
PMID: 25309642 PMC: 4191060. DOI: 10.1021/jp507422s.
Why is anatase a better photocatalyst than rutile?--Model studies on epitaxial TiO2 films.
Luttrell T, Halpegamage S, Tao J, Kramer A, Sutter E, Batzill M Sci Rep. 2014; 4:4043.
PMID: 24509651 PMC: 3918909. DOI: 10.1038/srep04043.