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Title

Understanding atomic-resolved STM images on TiO2(110)-(1 × 1) surface by DFT calculations

AuthorsSánchez-Sánchez, Carlos ; González Pascual, César; Jelinek, Pavel; Méndez, J.; Andrés, Pedro L. de ; Martín-Gago, José A. ; López, María Francisca
Issue Date8-Sep-2010
PublisherInstitute of Physics Publishing
CitationNanotechnology 21: 405702 (2010)
AbstractWe present a combination of experimental STM images and DFT calculations to understand the atomic scale contrast of features found in high-resolution STM images. Simulating different plausible structural models for the tip, we have been able to reproduce various characteristics previously reported in experimental images on TiO2(110)-(1 × 1) under controlled UHV conditions. Our results allow us to determine the influence of different chemical and morphological tip terminations on the atomic-resolution STM images of the TiO2(110)-(1 × 1) surface. The commonest images have been properly explained using standard models for a W tip, either clean or with a single O atom located at the apex. Furthermore, a double transfer of oxygen atoms can account for different types of bizarre atomic-resolution features occasionally seen, and not conclusively interpreted before. Importantly, we discuss how typical point-defects are imaged on this surface by different tips, namely bridging O vacancies and adsorbed OH groups.
Publisher version (URL)https://doi.org/10.1088/0957-4484/21/40/405702
URIhttp://hdl.handle.net/10261/168401
DOIhttp://dx.doi.org/10.1088/0957-4484/21/40/405702
ISSN0957-4484
E-ISSN1361-6528
Appears in Collections:(ICMM) Artículos
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