Sergey Rashkeev

     Idaho National Laboratory
P.O. Box 1625, M.S. 3553
Idaho Falls, ID 83415-3553
Phone:  (208) 526-9402
Fax:  (208) 526-8254


Sergey Rashkeev is a condensed matter physicist and computational materials scientist in the Center for Advanced Modeling and Simulation at Idaho National Laboratory.  He has extensive experience in first-principles calculations of electronic structure and spectral characteristics (linear and nonlinear optical response functions for metals, semiconductors, complex oxides, dielectrics, and high-Tc superconductors (including oxides and fullerenes); mesoscopic modeling and simulations of transport in different systems (quantum contacts, ultrasmall Josephson junctions, grain boundary junctions); multiscale simulations of plasticity phenomena and dislocation patterning; defects and radiation effects in semiconductors and oxides; molecular electronics; catalysis in complex oxides, nuclear fuels, etc. Almost all of these research projects are “interdisciplinary”, most of them include extensive calculations and simulations on massive parallel computer systems.

His current research focuses on:
• Complex catalytic materials (multilayered structures, nanoparticles, zeotype materials) for energy and environmental applications
• First-principles calculations and atomic-scale simulations of corrosion phenomena
• Nuclear fuels modeling: defects migration, phase segregation, fuel swelling due to fission gas, etc.
• First-principles calculations and atomic-scale modeling of gas interaction with crystalline and amorphous polymers for gas separation membranes.

Sergey has been a senior research staff scientist at CAMS since joining INL in September 2006.  Prior to that, he worked at Oak Ridge National Laboratory, Vanderbilt University (Nashville, TN), Case Western Reserve University (Cleveland, OH), ChalmersUniversity of Technology (Goteborg, Sweden), Max-Planck-Institute for Solid State Physics (Stuttgart, Germany), P.N.Lebedev Physical Institute, Russian Academy of Sciences (Moscow, Russia).  

He obtained his Ph.D. from the Moscow Institute of Physics and Technology (PhysTech, Moscow, Russia) in theoretical and mathematical physics (1986), and his M.S. in applied physics from the same institution in 1982.

Selected Publications:

S.Wang, A.Y.Borisevich, S.N.Rashkeev, M.V.Glazoff, K.Sohlberg, S.J.Pennycook, and S.T.Pantelides. Dopants adsorbed as single atoms prevent degradation of catalysts. Nature Materials 3, 143-146 (2004).

A.Y.Borisevich, S.Wang, S.N.Rashkeev, M.Glazoff, S.J.Pennycook, and S.T.Pantelides. Dual nanoparticle/substrate control of catalytic dehydrogenation. Advanced Materials 19, 2129-2133 (2007).

S.N.Rashkeev, A.R.Lupini, S.H.Overbury, S.J.Pennycook, and S.T.Pantelides. The role of the nanoscale in catalytic CO oxidation by supported Au and Pt nanostructures. Phys. Rev. B 76, 035438 (2007); Virtual Journal of Nanoscience & Technology, 16, N 7 (August 13, 2007).

S.N.Rashkeev, D.M.Ginosar, L.M.Petkovic, and H.H.Farrell. Catalytic activity of supported metal particles for sulfuric acid
decomposition reaction. Catalysis Today 139, 291-298 (2009).

S.N.Rashkeev, K.W.Sohlberg, S.Zhuo, and S.T.Pantelides. Hydrogen-induced initiation of corrosion in aluminum. The Journal of Physical Chemistry C 111, 7175-7178 (2007).

Michael V. Glazoff, Sergey N. Rashkeev, Yuri P. Pyt’ev, Jeong-Whan Yoon, and Simon Sheu. Interplay between plastic deformations and optical properties of surfaces. Appl. Phys. Lett. 95, 084106 (2009).

Yanting Wang and Sergey N. Rashkeev. Melting phase transitions and catalytic activity of bilayer gold nanoclusters. The Journal of Physical Chemistry C 113, 10517-10520 (2009).