Novel smart materials is one of the “foundation stones” for sustainable development of the mankind. Rational producing of novel functional materials with necessary advanced properties (smart materials) should include the following steps: 

1) nanodesign - computer design of the nanoscale atomic structure of target material, 

2) synthesis of the designed materials, 

3) nanodiagnostics - characterization of the nanoscale atomic, electronic and magnetic structures of the synthesized materials. We developed a “full-cycle” laboratory where all three steps are realized.


For nanodesign we are using multiscale computer modelling on the basis of various advanced approaches starting from Molecular Dynamics (VASP 5.3 and Scigress codes) up to DFT and Post-Hartree–Fock ab-initio approaches (ADF 2014, VASP 5.3 and Wien2k codes). 

For synthesis (in addition to standard chemical routes) we are using solvothermal methods, microwave-assisted synthesis, sonochemical approaches, photoreduction and ball-milling mechano-chemistry. 

For characterization of synthesized materials nanoscale local atomic, electronic and magnetic structures we are using advanced nondestructive methods including XANES, EXAFS, RIXS, XES, XMCD, XRD, DLS, FTIR, UV-VIS, fluorescence spectroscopy, vibrating sample magnetometry, BET porosimetry etc.  


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Research Projects

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News

Joint RSF-FWO Grant
Joint RSF-FWO Grant

Together with group of Prof. Dirk de Vos, our team gets a new multidisciplinary project on Pd- and Ru- catalysts

Details

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Seminars

The methods development of temperature UV measurements in The Smart Materials Research Institute

January 27, 2020, 4:00 PM in a.012

Speaker: Svetlana Cherkasova
How correctly presents your project

January 20, 2020, 4:00 PM in a.012

Speaker: Dmitriy Vlasenko
Current project results

December 11, 2019, 4:00 PM in a.012

Speaker: Abdelaziz Mohamed Aboraia
Address functionalization of defects in UiO-66

November 25, 2019, 4:00 PM in a.012

Speaker: Vera Butova
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