Petr Král
Assistant Professor
Physical Chemistry
Born 1961; BSc and MSc, Czech Technical University, 1986; PhD, Academy of Sciences, Prague, 1995; NATO/Royal Society Fellow, University of Nottingham, 1996-1997; Postdoctoral Fellow, University of Toronto, 1997-1999, and Weizmann Institute of Science, 1999-2001; Visiting Scientist, Weizmann Institute of Science and Harvard University, 2001-2003; Research Associate, University of British Columbia, 2003-2004.Research in our group is focused on the theoretical description of novel transport phenomena and material structures at the nanoscale, with rich potential applications. We are especially attracted by hybrid environments, present in nanofluidic and biological systems, self-assembled nanoparticle superlattices, etc., where the interplay between different types of materials, phases, dimensionalities, energies and timescales is crucial. The physical, chemical and biological aspects of the studied problems are evaluated in a concerted way.
We have predicted a number of exciting phenomena that have been observed and applied: electric-current induced driving of atoms and molecules on the surfaces of carbon nanotubes, generation of electric currents in nanotubes induced by liquids flowing around them, electron image states around nanotubes or photovoltaic phenomena at the nanoscale. Recently, we have investigated fascinating nanofluidic systems (molecular propellers and flow-induced molecular drag on nanotubes), docking of biomolecules on material surfaces, self-assembly of superlattices made of semiconducting and metallic nanoparticles, and design of metal-doped nanostructures for catalysis. Most of these projects are realized in collaborations with leading experts from numerous universities and national labs.
Our theoretical studies are realized by classical molecular dynamics methods, ab-initio quantum chemistry and quantum transport techniques and various computerized optimization approaches, using Fortran and other codes. We also take advantage of software packages used in math, physics, chemistry, biology and medicine. The calculations are performed on local computers and several supercomputer networks.
We always welcome curious students that would like to share our excitement, learn more about the unique world at the nanoscale and realize their scientific dreams. For more information please see our group web page.
(Left) Docking of peptides on optimally modified material
surfaces. (Middle) Pumping of water by a molecular propeller with
hydrophobic blades.
(Right) Self-assembly of nanoparticles on conducting surfaces.
References:
B. Wang and P. Král, Coulombic Dragging of Molecules on Surfaces Induced by Separately Flowing Liquids, JACS 128, 15984 (2006).
B. Wang and P. Král, Optimal Atomistic Modifications of Material Surfaces: Design of Selective Nesting Sites for Biomolecules, Small 90, 153110 (2007), Small - cover story.
B. Wang and P. Král, Chemically Tunable Nanoscale Propellers of Liquids, Phys. Rev. Let. 98, 266102 (2007), PRL - cover story, highlighted: Nature 448, 108 (2007),
D. Talapin, E. Shevchenko, C. B. Murray, A. Titov and P. Král, Dipole-dipole Interactions in Nanoparticle Superlattices, Nano Letters 7, 1213 (2007), highlighted: Science 316, 342 (2007).