Neutron irradiation and post-irradiation annealing of rutile (TiO2−x): effect on hydrogen incorporation and optical absorption
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- Bromiley, G.D. & Shiryaev, A.A. Phys Chem Minerals (2006) 33: 426. doi:10.1007/s00269-006-0087-9
Neutron irradiation and post-irradiation annealing under oxidising and reducing conditions have been used to investigate H incorporation in, and the optical properties of, reduced (TiO2−x) rutile. Optical absorption in rutile is mainly due to a Ti3+ Ti4+ intervalence charge transfer effect. The main mechanism for H incorporation in rutile involves interstitial H not coupled to other defects, which has important implications for the rate of H diffusion, and possibly also on the electrical properties of rutile. Additional minor OH absorption bands in IR spectra indicate that a small amount of interstitial H is coupled to defects such as Ti3+ on the main octahedral site, and indicates that more than one H incorporation mechanism may operate. Concentration of oxygen vacancies has a controlling influence on the H affinity of rutile.