Pentacene/TiO.sub.2./sub. anatase hybrid interface study by scanning probe microscopy and first principles calculations

0501418 - FZÚ 2019 RIV US eng J - Journal Article
Todorovic, M. - Stetsovych, Oleksandr - Moreno, C. - Shimizu, T.K. - Custance, O. - Pérez, R.
Pentacene/TiO₂ anatase hybrid interface study by scanning probe microscopy and first principles calculations.
ACS Applied Materials and Interfaces. Roč. 10, č. 40 (2018), s. 34718-34726. ISSN 1944-8244. E-ISSN 1944-8252
Institutional support: RVO:68378271
Keywords : surface * hybrid organic/inorganic interfaces * pentacene * anatase * AFM * DFT * thin-film morphology
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 8.456, year: 2018

In this work we combined atomic resolution scanning probe microscopy with first-principles calculations to characterize the technologically relevant organic/inorganic interface structure between pentacene molecules and the TiO2 anatase (101) surface. Submolecular resolution images revealed the orientation of the adsorbates with respect to the substrate and allowed direct insights into interface formation. In uncovering the atomic arrangement and favorable electronic properties of the pentacene/anatase interface, our findings testify to the maturity and analytic power of our methodology in further studies of organic/inorganic interfaces.

Permanent Link: http://hdl.handle.net/11104/0293455