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cond-mat.mtrl-sci2011★ 75 cited

Steps on Rutile TiO2(110): Active Sites for Water and Methanol Dissociation

Umberto Martinez, Lasse B. Vilhelmsen, Henrik H. Kristoffersen +2

We present a detailed investigation of the structure and activity of extended defects namely monoatomic steps on (1x1)-TiO2(110). Specifically, the two most stable <001> and <1-11>…