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

Metal-organic Frameworks (MOFs)

Metal-Organic Frameworks (MOFs) are a new class of porous materials. It is attracting much attention due to their large pore sizes, high apparent surface areas, s...

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Palladium nanoparticles

Palladium-based materials are extensively used in biology, medicine, sensors and catalysis. Our group performs in situ and operando studies by means of synchrotron-based ...

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FitIT is a new approach to fit spectra using multidimensional interpolation approximation. FitIt allows to obtain information about the local atomic structure from XANES ...

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X-ray absorption spectroscopy

X-ray absorption spectroscopy for 3D atomic and electronic structures of materials with and without long-range order: nanoparticles, molecules, biological systems, etc.

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All projects


Crystal Growth & Design cover is ours
Crystal Growth & Design cover is ours

Our research paper was selected for the cover of Crystal Growth & Design (ACS)

First XFEL Users
First XFEL Users

Our proposal was supported by European XFEL!

We are on the J. Phys. Chem. C cover
We are on the J. Phys. Chem. C cover

Our research paper was selected for the cover image of the Journal of Physical Chemistry C


All news


Joint workshop with Baltic Federal University

September 11, 2017, 10:00 AM in a.012

Speaker: Alexander Goikhman
Preliminary defense presentation

August 18, 2017, 3:00 PM in a.219

Speaker: Aram Bugaev
Characterization of actinide species in model systems by advanced synchrotron based X-ray spectroscopy

July 20, 2017, 3:00 PM in а.012

Speaker: Ivan Pidchenko
Preliminary PhD defence from Podkovyrina Yu.

July 19, 2017, 3:00 PM in a.318

Speaker: Yulia Podkovirina
All seminars