Unravelling the atomic structure of cross-linked (1 x 2) TiO2(110)

Pieper HH, Venkataramani K, Torbruegge S, Bahr S, Lauritsen JV, Besenbacher F, Kühnle A, Reichling M (2010)
Physical Chemistry Chemical Physics 12(39): 12436-12441.

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The cross-linked (1 x 2) reconstruction of TiO2(110) is a frequently observed phase reflecting the surface structure of titania in a significantly reduced state. Here we resolve the atomic scale structure of the cross-linked (1 x 2) phase with dynamic scanning force microscopy operated in the non-contact mode (NC-AFM). From an analysis of the atomic-scale contrast patterns of the titanium and oxygen sub-structures obtained by imaging the surface with AFM tips having different tip apex termination, we infer the hitherto most accurate model of the atomic structure of the cross-linked (1 x 2) phase. Our findings suggest that the reconstruction is based on added rows in [001] direction built up of Ti3O6 units with an uninterrupted central string of oxygen atoms accompanied by a regular sequence of cross-links consisting of linear triples of additional oxygen atoms in between the rows. The new insight obtained from NC-AFM solves previous controversy about the cross-linked TiO2(110) surface structure, since previously proposed models based on cross-links with a lower O content do not appear to be consistent with the atom-resolved data presented here. Instead, our measurements strongly support the Ti3O6 motif to be the structural base of the cross-linked (1 x 2) reconstruction of TiO2(110).
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Pieper HH, Venkataramani K, Torbruegge S, et al. Unravelling the atomic structure of cross-linked (1 x 2) TiO2(110). Physical Chemistry Chemical Physics. 2010;12(39):12436-12441.
Pieper, H. H., Venkataramani, K., Torbruegge, S., Bahr, S., Lauritsen, J. V., Besenbacher, F., Kühnle, A., et al. (2010). Unravelling the atomic structure of cross-linked (1 x 2) TiO2(110). Physical Chemistry Chemical Physics, 12(39), 12436-12441. doi:10.1039/c0cp00160k
Pieper, H. H., Venkataramani, K., Torbruegge, S., Bahr, S., Lauritsen, J. V., Besenbacher, F., Kühnle, A., and Reichling, M. (2010). Unravelling the atomic structure of cross-linked (1 x 2) TiO2(110). Physical Chemistry Chemical Physics 12, 12436-12441.
Pieper, H.H., et al., 2010. Unravelling the atomic structure of cross-linked (1 x 2) TiO2(110). Physical Chemistry Chemical Physics, 12(39), p 12436-12441.
H.H. Pieper, et al., “Unravelling the atomic structure of cross-linked (1 x 2) TiO2(110)”, Physical Chemistry Chemical Physics, vol. 12, 2010, pp. 12436-12441.
Pieper, H.H., Venkataramani, K., Torbruegge, S., Bahr, S., Lauritsen, J.V., Besenbacher, F., Kühnle, A., Reichling, M.: Unravelling the atomic structure of cross-linked (1 x 2) TiO2(110). Physical Chemistry Chemical Physics. 12, 12436-12441 (2010).
Pieper, Hans Hermann, Venkataramani, Krithika, Torbruegge, Stefan, Bahr, Stephan, Lauritsen, Jeppe V., Besenbacher, Flemming, Kühnle, Angelika, and Reichling, Michael. “Unravelling the atomic structure of cross-linked (1 x 2) TiO2(110)”. Physical Chemistry Chemical Physics 12.39 (2010): 12436-12441.
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