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Structure of the rutile-TiO2(110)-(1×2) surface having been under debate ove 30 years finally settled by TRHEPD

The exact structure of the rutile-TiO2(110)-(1×2) surface, which had been under debate over the past 30 years, was investigated using TRHEPD. The rocking-curves for the 00-spot were compared to the curves for various models calculated with a full-dynamical theory. It was found that the rocking-curves matched those for a surface consisting of a Ti2O3 configuration, originally suggested by Onishi and Iwasawa, but with a further modification of atomic positions close to the ones proposed by Wang et al.

Phys. Chem. Chem. Phys. 18, 7085 (2016).

→ Press Release(2016.2.24) 

→ Chemistry World (Royal Society of Chemistry), News(2016.3.24)