Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy

Oleksandr Stetsovych, Milica Todorović, Tomoko K. Shimizu, César Moreno, James William Ryan, Carmen Pérez León, Keisuke Sagisaka, Emilio Palomares, Vladimír Matolín, Daisuke Fujita, Ruben Perez () and Oscar Custance ()
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Oleksandr Stetsovych: National Institute for Materials Science (NIMS)
Milica Todorović: Universidad Autónoma de Madrid
Tomoko K. Shimizu: National Institute for Materials Science (NIMS)
César Moreno: International Center for Young Scientists, NIMS
James William Ryan: International Center for Young Scientists, NIMS
Carmen Pérez León: National Institute for Materials Science (NIMS)
Keisuke Sagisaka: National Institute for Materials Science (NIMS)
Emilio Palomares: Institute of Chemical Research of Catalonia
Vladimír Matolín: Charles University, Faculty of Mathematics and Physics
Daisuke Fujita: National Institute for Materials Science (NIMS)
Ruben Perez: Universidad Autónoma de Madrid
Oscar Custance: National Institute for Materials Science (NIMS)

Nature Communications, 2015, vol. 6, issue 1, 1-9

Abstract: Abstract Anatase is a pivotal material in devices for energy-harvesting applications and catalysis. Methods for the accurate characterization of this reducible oxide at the atomic scale are critical in the exploration of outstanding properties for technological developments. Here we combine atomic force microscopy (AFM) and scanning tunnelling microscopy (STM), supported by first-principles calculations, for the simultaneous imaging and unambiguous identification of atomic species at the (101) anatase surface. We demonstrate that dynamic AFM-STM operation allows atomic resolution imaging within the material’s band gap. Based on key distinguishing features extracted from calculations and experiments, we identify candidates for the most common surface defects. Our results pave the way for the understanding of surface processes, like adsorption of metal dopants and photoactive molecules, that are fundamental for the catalytic and photovoltaic applications of anatase, and demonstrate the potential of dynamic AFM-STM for the characterization of wide band gap materials.

Date: 2015
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DOI: 10.1038/ncomms8265

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