POB 3.6. Modeling and examination of materials’ physicochemical properties
The research covers three main groups of issues. The first concerns the modeling of materials and structures, both at the molecular level and on the micro- and macroscale. Molecular modeling uses programs that perform calculations based on the so-called first principles. They allow for the determination of the electronic structure, modeling of particle systems on the nanoscale, and analysis of interactions between the particle layer and the surroundings. This makes it possible to design electronic devices, including toxic gas sensors and photovoltaic cells, and select the optimal active layers, without the need for experimental verification of each considered solution. Micro- and macro-scale modeling is based on finite element analysis. Examples of applications include the analysis of heat transport processes accompanying thermal measurements on the nanoscale, modeling of electrical and thermoelectric measurements for irregularly shaped samples, and modeling of the mechanical properties of various material structures.
The second group of issues concerns the production of new materials, mainly thin layers that are the active element of electronic devices and passivating layers. Layers of organic and inorganic materials are produced using both vacuum methods and cheap "wet" methods - spin-coating and dip-coating.
The last group of works within the sub-area concerns methods for examining micro- and nanostructures. Measurement methods include techniques typical for research in the field of physics and chemistry: high-vacuum electron spectroscopy, temperature-programmed desorption, scanning microscopy, but also methods used in non-destructive testing: impedance spectroscopy, photothermal measurements, thermal measurements. This enables comprehensive testing of materials and analysis of phenomena occurring in active material structures. At the same time, research is offered that may be of interest to the industry.
The research sub-area also includes work on the implementation of new, non-standard measurement methodologies that can provide information on the properties of future materials and indicate directions of technology development.
The most important papers
- A. Domanowska, M. Krzywiecki, B. Adamowicz, S. M. Gorantla, K. Suchanek, M. Mitura-Nowak, A. Michalewicz, M. Zięba, P. Karasiński, Sol-gel derived SiOx:TiOy films for integrated optics: HR S/TEM and AES/XPS insight to structure and chemical composition, Materials Science and Engineering B 303 (2024) 117289.
- E. Bondarenko, P. Chulkin, M. Krzywiecki, Bismuth oxysulfide films with giant external quantum efficiency: Investigation of photoelectrochemical properties and stability in dimethyl sulfoxide solutions for application in photodetectors, Applied Surface Science 654 (2024) 159500.
- M. Chirtoc, J. Bodzenta, A. Kaźmierczak-Bałata, Calibration of conductance channels and heat flux sharing in scanning thermal microscopy combining resistive thermal probes and pyroelectric sensors, International Journal of Heat and Mass Transfer 156 (2020) 119860.
- H. Aldahhak, P. Powroźnik, P. Pander, W. Jakubik, F.B. Dias, W.G. Schmidt, U. Gerstmann, M. Krzywiecki Toward efficient toxic-gas detectors: Exploring molecular interactions of sarin and dimethyl methylphosphonate with metal-centered phthalocyanine structures, The Journal of Physical Chemistry C 124 (2020) 6090-6102.
- D, Trefon-Radziejewska, J. Juszczyk, Z. Opilski, M. Pawlak, G. Hamaoui, P. Powroźnik, V. Smokal, O. Krupka, B. Derkowska-Zielinska, Light-induced thermal and optical behavior of functionalized side-chain push–pull azo polymer thin films, The Journal of Physical Chemistry C 127 (2023) 13854-13865.
Research Projects
- SONATINA-6 Projektowanie i charakteryzacja hybrydowych struktur tlenek aluminium/ftalocyjanina UMO-2022/44/C/ST5/00083
- MINIATURA-6 Analiza korelacji morfologii i powierzchniowych właściwości elektronowych cienkich warstw tlenku bizmutu dla zastosowań w nanoelektronice DEC-2022/06/X/ST5/01248
- MINIATURA-6 Określenie wpływu morfologii powierzchni na lokalne przewodnictwo cieplne cienkich warstw ftalocyjanin metali o różnych wartościowościach DEC-2022/06/X/ST5/00861
Editors of Special Issues
- Sensors, Special Issue: “Gas Sensors: Progress, Perspectives and Challenges,
Guest Editors: P. Powroźnik, M. Krzywiecki. - Applied Sciences, Special Issue "Next-Generation Electronic and Optoelectronic Devices and Materials",
- Guest Editors: J. Zakrzewski, J. Bodzenta.
National and international cooperation
- Instytut Fizyki Polskiej Akademii Nauk
- Akademia Górniczo-Hutnicza
- Uniwersytet Mikołaja Kopernika
- Politechnico di Torino
- Norwegian Uniwersity of Science and Technology
- University of Oslo
- University of Liverpool
- Universität Paderborn
- Université Gustav Eiffel, Paris
