Interfaces in heterostructural nanocomposites: theoretical modelling and experimental studies of electronic and optical processes

Previous and Current Research

2022-Present. Fundamental research project financed from the State Budget of Ukraine 0122U001969 “Interfaces in heterostructural nanocomposites: theoretical modelling and experimental studies of electronic and optical processes” (scientific advisor of the project)

2018-Present. Computational grant at Wroclaw Centre for Networking and Supercomputing, Poland, project # 488 (leading computational scientist).

2017-2021. Computational grant at Shenzhen National Supercomputing Center, People’s Republic of China, project # WQ20142200205 (leading computational scientist).

2017-2018. Grant of the State Fund for Fundamental Research of Ukraine № F76/115-2017 “Luminescence mechanisms in Li₂MoO₄ and ZnSe cryogenic scintillation crystals” (Scientific advisor of the project).

2012-2013. Joint CNRS-NASU research project “Development of luminescent nanothermometers for high- resolution thermal imaging” at UMR 8213 Laboratoire de Physique et d’Etude des Matériaux, ESPCI Ecole Supérieure de Physique et de Chimie Industrielle, Paris, FRANCE (Scientific advisor of the project).

2012. Research project with use of synchrotron radiation source at Deutsches Elektronen-Synchrotron Laboratory DESY, I-20110592 “Studies of the VUV-excited luminescence of complex oxide materials as luminescent bodies for biomedical applications”, Hamburg, GERMANY (Project participant).

2009-2011. Research project with use of synchrotron radiation source at Deutsches Elektronen-Synchrotron Laboratory DESY, II-20080221 “Luminescence of nanoscale components of combined oxide transformers and sources of light”, Hamburg, GERMANY (Project participant).

2006-2008. Research project with use of synchrotron radiation source at Deutsches Elektronen-Synchrotron Laboratory DESY, II-05-015 “Luminescence of Doped Phosphates”, Hamburg, GERMANY (Project participant).

The team:

DrSc S.G. Nedilko

PhD O.V. Chukova

PhD V.P. Chornii

PhD V.I. Borysiuk

PhD V.M. Prokopets

PhD P.O. Teselko

PhD V.P. Yaschuk

Methodological and Technical Expertise

Formulation of general research problems that can be solved by application of the electronic structure-related computational methods for a specific system of interest. Performing and interpretation of results of calculations of the electronic structure and related properties of crystals using electronic structure methods, computational modelling of the atomic structure of interfaces using molecular dynamics methods. Experience in successful selection and adaptation of appropriate computational methods for solution of specific physical problems, experience in compilation and usage of modern electronic structure packages on supercomputers or PC clusters in Unix-based media. Experience in verification of calculation results by experimental data on optical and luminescence properties, in particular temperature-dependent luminescence under various types of photo-excitation, X-ray-excited luminescence, thermo-stimulated luminescence. Additional professional experience in work with various experimental equipment related to studies of the luminescence properties.

Selected Publications

1.       K. Lamonova, S. Orel, Yu. Pashkevich, B. Bekirov, M. Hidulianov, I. Ivanchenko, N. Popenko, N. Kovalenko, A. Prokhorov, Yu. Hizhnyi, S. Nedilko, N. Klyui. Temperature-induced charge transfer in Fe-doped ZnSe single crystal: mechanism and features // European Physical Journal Plus 137(9) (2022) 1018.

2.       Ya. Zhydachevskyy, Yu. Hizhnyi, S.G. Nedilko, I. Kudryavtseva, V. Pankratov, V. Stasiv, L. Vasylechko, D. Sugak, A. Lushchik, M. Berkowski, A. Suchocki, N. Klyui. Band Gap Engineering and Trap Depths of Intrinsic Point Defects in RAlO₃ (R = Y, La, Gd, Yb, Lu) Perovskites // J. Phys. Chem. C 867 (2021) 159148, 10pp.

3.       Hizhnyi Y., Borysyuk V., Chornii V., Nedilko S., Tesel'ko P.O., Dubovik O., Maksymchuk P., Tupitsyna I., Yakubovskaya A., Androulidaki M., Klyui N. Role of native and impurity defects in optical absorption and luminescence of Li₂MoO₄ scintillation crystals // Journal of Alloys and Compounds 867 (2021) 159148.

4.       Bulyk L.-I., Vasylechko L., Mykhaylyk V., Tang C., Zhydachevskyy Y., Hizhnyi Y.A., Nedilko S.G., Klyui N.I., Suchocki A. Mn2+ luminescence of Gd(Zn,Mg)B₅O₁₀ pentaborate under high pressure // Dalton Transactions 49 (2020) 14268–14279.

5.       Yu.A. Hizhnyi, S.G. Nedilko, V.I. Borysiuk, V.P. Chornii, I.A. Rybalka, S.M. Galkin, I.A. Tupitsynad, N.I. Klyui. Effect of annealing in zinc vapors on charge trapping properties of ZnSe, ZnSe(Te) and ZnSe(Al) scintillation crystals: Revealing the mechanisms by DFT computational studies // Optical Materials 97 (2019) 109402.

6.       Yu. Hizhnyi, S. Nedilko, V. Borysiuk, A. Shyichuk. Removal of oxoanions of M^VI (M^VI = Cr, Mo, W) metals by carbon nanostructures: insights into mechanisms from DFT calculations // International Journal of Quantum Chemistry 118 (2018) e25715 (11pp).

7.       Yu. Hizhnyi, S. Nedilko , V. Borysiuk and A. Shyichuk. Ab Initio Computational Study of Chromate Molecular Anion Adsorption on the Surfaces of Pristine and B- or N-Doped Carbon Nanotubes and Graphene // Nanoscale Research Letters 12 (2017) 71.

8.       Yu Hizhnyi, V. Chornii, S. Nedilko, M. Slobodyanik, K. Terebilenko, V. Boyko, O. Gomenyuk, V. Sheludko. Luminescence spectroscopy of Ln-doped Bi-containing phosphates and molybdates // Radiation Measurements 90 (2016) 314–318.

9.       Yu A. Hizhnyi, , S.G. Nedilko, V.P. Chornii, M.S. Slobodyanik, I.V. Zatovsky, K.V. Terebilenko. Electronic structures and origin of intrinsic luminescence in Bi-containing oxide crystals BiPO₄, K₃Bi₅(PO₄)₆, K₂Bi(PO₄)(MoO₄), K₂Bi(PO₄)(WO₄) and K₅Bi(MoO₄)₄ // Journal of Alloys and Compounds 614 (2014) 420–435.

10.    Yu.A. Hizhnyi, S.G. Nedilko, V.P. Chornii, T.M. Nikolaenko, N.S. Slobodyanik, V.I. Sheludko. Structure of the fluorine states in cadmium molybdate host studied by the electronic band structure calculations of CdMoO₄, CdMoO₄:F and CdMoO₃F₂ crystals // Computational Materials Science 87 (2014) 12–18.

- Посилання на профіль SCOPUS

https://www.scopus.com/authid/detail.uri?authorId=6508037897

Contacts