2. Articole

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    Energetic, structural and electronic features of Sn-, Ga-, O-based defect complexes in cubic In2O3 [Articol]
    (IOP Publishing Ltd, 2020) Cocemasov, Alexandr; Brinzari, Vladimir; Nika, Denis
    Defect energy formation, lattice distortions and electronic structure of cubic In2O3 with Sn, Ga and O impurities were theoretically investigated using density functional theory. Different types of point defects, consisting of 1–4 atoms of Sn, Ga and O in both substitutional and interstitial (structural vacancy) positions, were examined. It was demonstrated, that formation of substitutional Ga and Sn defects are spontaneous, while formation of interstitial defects requires an activation energy. The donor-like behavior of interstitial Ga defects with splitting of conduction band into two subbands with light and heavy electrons, respectively, was revealed. Contrarily, interstitial O defects demonstrate acceptor-like behavior with the formation of acceptor levels or subbands inside the band gap. The obtained results are important for an accurate description of transport phenomena in In2O3 with substitutional and interstitial defects.
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    In2O3- and SnO2-based ozone sensors: Design and characterization [Articol]
    (Taylor & Francis Ltd, 2018) Korotcenkov, Ghenadii; Brinzari, Vladimir; Cho, B.K.
    This article describes in detail the SnO2 and In2O3 metal oxides as materials for designing solid state conductometric ozone sensors. The main focus of this article is on the description of the SnO2 and In2O3 films' structural parameters important for gas sensor design and on the establishment of the main regularities of the film parameters influence on the sensor characteristics. Advantages and disadvantages of approaches used for optimization of ozone sensor parameters are also analyzed. In particular, surface modification, bulk doping of SnO2 and In2O3, and the use of 1D structures and hybrid materials are considered. The main factors, controlling parameters of SnO2- and In2O3-based ozone sensors, are determined, and recommendations for the process of the SnO2 and In2O3 films deposition, facilitating the search of the film parameters and the fabrication technologies that optimize the ozone sensor performance, are formulated.