Smart Materials

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) is anew class of porous materials. It is attracting attention due to demonstrations of their large pore sizes, high apparent surfa...

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Palladium catalyst

Determination of atomic and electronic structure of the palladium-based nanocatalyst under reaction conditions by in situ and operando EXAFS, XANES and XRD.

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FitIt

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

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The study of platinum anticancer drugs

Fourier Transform Infrared (FTIR) spectroscopy to study action of anticancer drugs (cisplatin, carboplatin, oxaliplatin).

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News

Science of Future Conference 1st Prize
Science of Future Conference 1st Prize

Congratulations to Ilya Pankin, the winner of the student competition "Science of Future"

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Inauguration Ceremony for Master Students
Inauguration Ceremony for Master Students

On September 1 we are welcoming 30 new students for the master program "Nanoscale structure of materials"

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International School IWSN-2016
International School IWSN-2016

The International Joint School "Smart Nanomaterials and X-ray Optics 2016: Modeling, Synthesis and Diagnostics" to be held in October 12-16,...

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Seminars

Formation of palladium nanoparticles in metal-organic frameworks

September 26, 2016, 4:30 PM

Speaker: Aram Bugaev
Principle component analysis in FitIt

September 14, 2016, 4:00 PM

Speaker: Alexander Guda
Debye approximation for XRD calculations of small nanoparticles

September 12, 2016, 4:00 PM

Speaker: Alexander Guda
All seminars