Antonina Nikolaevna Kravtsova
Senior researcher
“Smart Materials" International research centre
Associate Professor
The Smart Materials Research Institute
Research interests:
Fields of interest:
Theoretical and experimental investigation of local atomic geometry and electronic structure in various types of condensed matter including:
- geological materials,
- nanostructures (quantum dots, nanoclusters, nanoalloys).
Effects and properties under the study:
- 3D local atomic structure of complex condensed materials,
- electronic structure (density of states and fine details of hybridization of electronic states) of condensed materials.
Methods of investigation:
- Experimental X-ray absorption (X-ray Absorption Near Edge Structure – XANES and Extended X-ray Absorption Fine Structure - EXAFS) studies.
- Full multiple scattering XANES/ELNES simulations (FEFF9, G4XANES program codes) • Non-muffin-tin finite difference method for XANES simulations (FDMNES code).
- Full-potential band structure calculations (Wien2k code).
- Density functional theory (DFT) using pseudopotentials (VASP code) • Advanced DFT quantum chemistry calculations (ADF code).
Research projects:
Attracting of external funding:
2014-2015 Nanodiagnostics of microelements environment in geological materials: X-ray Investigation and computer modeling, Russian Foundation for Basic Research, grant 14-05-00580.
2012 Nanoscale atomic and electronic structure of geological materials: XANES, DFT and MD Insight, DAAD G-RISC P-2012a-13 (Germany).
2011 Local and electronic structure of multivalently bound amino ligands on noble metal nanoparticles: XANES and DFT analysis, DAAD G-RISC P-2011b-x2 (Germany).
2010-2011 Local atomic, electronic and magnetic structure of nanoclusters of magnetic materials: multiscale computer modeling and nanodiagnostics using synchrotron radiation, President of Russian Federation, grant МК-4283.2010.2.
2010 Investigation of atomic geometry, electronic and magnetic structure of some diluted magnetic semiconductors and molecular magnets, German Academic Exchange Service, grant A/10/01056.
2007-2008 Local 3D atomic and electronic structure of free nanoclusters of Ti atoms within size range starting from several atoms up to one thousand of atoms, grant INTAS YSF 06-1000014-6562 2006-2007 Ti nanoclusters: Local and electronic structure, President of Russian Federation, grant MK-4486.2006.2.
2005-2006 Visiting postdoctoral fellowship, Research Foundation-Flanders, number GP.067.05N.
Participation in scientific grants:
2014-2015 Researcher for the project of the Ministry of Education and Science of Russia “Computer design, Synthesis and Diagnostics of quantum Nanostructures” (No. 16.148.2014/K).
2014-2015 Researcher for the mega-grant of the Government of Russian Federation for state support of the research conducting under supervising of leading scientists “From nanodesign to nanodiagnostics: development of “full cycle laboratory” (contract 14.Y26.31.0001 from 04 March 2014).
2014-2015 Researcher for the project of Russian Foundation for Basic Research “Local Atomic and Electronic Structure of Al-Fe-Cu Quasicrystalls” (RFBR 14-02-31514-mol_a).
2014 Researcher for the project of Russian Foundation for Basic Research “X-ray Spectral Diagnostics and Multi-Scale Computer Modeling for the Study of Heavy Metals Compounds and Actinides in the Soils” (RFBR 14-05-31488-mol_a).
2011-2012 Researcher for the project (Monograph Publishing) of Russian Foundation for Basic Research “Nanoclusters: X-ray Spectral Investigation and Computer Modeling” (RFBR 11-02-07050-d).
2009-2011 Researcher for Ministry of Science and Education (Russia) project “Fundamental relationships of nanoscale 3D atomic, electronic and magnetic structures of delute magnetic semiconductores: x-ray absorption analysis and multiscale modeling of spintronics and nanophotonics materials” (RNP 2.1.1.5932).
2006-2008 Researcher for Ministry of Science and Education (Russia) project “3D local geometry and electronic structure of nanomaterials (AlN nanoparticles and nanotubes): x-ray absorption analysis” (RNP 2.1.1.1038).
2003-2005 Researcher for joint NWO (Netherlands) - RFBR (Russia) project "X-Ray absorption spectroscopic studies of changes in the Ni environment of polymerization and epoxidation catalysts during turnover (03-03-89010_NWO).
2003-2004 Researcher for joint NSCF (China) – RFBR (Russia) project "Local and electronic structure of quantum nano-objects Ge/Si Fe/Cu: analysis of x-ray absorption" (0202-39015-a).
Teaching:
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Computer modeling
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Methods of diagnostics of materials
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