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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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Seminars

Theoretical analysis of adsorption properties of small noble metal nanoaprticles

March 23, 2020, 4:00 PM in a.012

Speaker: Yury Rusalev

Operando studies of cobalt complexes with valence tautomerism

March 23, 2020, 4:00 PM in a.012

Speaker: Alexander Guda

Operando measurements of cathode materials for lithium and sodium ion batteries on a Rigaku laboratory spectrometer

March 2, 2020, 4:00 PM in a.012

Speaker: Victor Shapovalov

The growth of Palladium nanoparticles monitoring in the operando regime using IR Fourier spectroscopy

February 25, 2020, 4:00 PM in a.012

Speaker: Andrei Tereshchenko

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