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Title: Crystallographic Dependence of Visible-light Photoactivity in Epitaxial TiO2-xNx Anatase and Rutile

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics, 79(8):Article number: 085401

Nitrogen-doped TiO2 materials have been shown to exhibit visible-light photoactivity, but the operative mechanism(s) are not well understood. Here we use structurally and compositionally well-defined epitaxial films of TiO2-xNx anatase (001) and rutile (110) (x≤~0.02) to show a qualitative difference between the visible-light activities for the two polymorphs. Holes generated by visible light at N sites in anatase (001) readily diffuse to the surface and oxidize adsorbed trimethyl acetate while the same in rutile (110) remain trapped in the bulk. In light of the low doping densities that can be achieved in phase-pure material, conventional wisdom suggests that holes should be trapped at N sites in both polymorphs. Although the detailed mechanism is not yet understood, these results suggest that the hole hopping probability is much higher along the [001] direction in N-doped anatase than along the [110] direction in N-doped rutile.

Research Organization:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
963826
Report Number(s):
PNNL-SA-59944; KC0301010; TRN: US200918%%165
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, 79(8):Article number: 085401, Vol. 79, Issue 8
Country of Publication:
United States
Language:
English