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Title: N incorporation and electronic structure in N-doped TiO2(110) rutile

Journal Article · · Surface Science, 601(7):1754-1762

Epitaxial TiO2-xNx film growth under anion-rich conditions is characterized by nearly balanced incorporation rates for substitutional N (NO) and interstitial Ti (Tii). Tii donors fully compensate and stabilize N3-, but preclude the formation of p-type material. Hybridization occurs between Tii(IV) and NO3-, but the value of x is limited to ~0.02 under these conditions. Tii(IV)-NO3- states occur above the valence band maximum of pure TiO2, riving rise to enhanced optical absorption in the visible up to ~2.5 eV. Much higher NO and Tii concentrations result from using cation-rich conditions.

Research Organization:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
909229
Report Number(s):
PNNL-SA-50468; SUSCAS; 19393; KC0301010; TRN: US200722%%1043
Journal Information:
Surface Science, 601(7):1754-1762, Vol. 601, Issue 7; ISSN 0039-6028
Country of Publication:
United States
Language:
English