Research project: (Nano)Materials Modeling
Our group ethos is to understand, design and optimize novel materials under realistic conditions via state of the art in silico methods. Our vision is to work in synergy with experiment to predict and create the important materials of the future.
- Materials for heterogeneous catalysis, adsorption and separation
- Materials for electronic/spintronic applications
- Method development
- Magnetic/Spintronic Materials,
- Catalytic Layered Materials,
- Metal Organic Frameworks
- Encapsulated Nanoparticles
- Methos Development
Team leader & members
- prof. Petr Nachtigall
- Dr. Lukáš Grajciar
- Junije He
- Dr. Andreas Erlebach
- Dr. Christopher J. Heard
- A. ABDULHUSSEIN,P. FERRARI, J. VANBUEL, C. HEARD, A. FIELICKE, P. LIEVENS, E. JANSSENS, and R. L. JOHNSTON, Altering CO binding on gold cluster cations by Pd-doping
- GONG,G. ZHAO, P. LYU, and K. SUN, Insights into the intrinsic capacity of interlayer-expanded MoS2 as a Li-ion intercalation host
- KULKARNI,Y. NODA, D. K. BARANGE, Y. S. KOCHERGIN, P. LYU, B. BALCAROVA, P. NACHTIGALL, and M. J. BOJDYS, Real-time optical and electronic sensing with a pbeta-amino enone linked, triazine-containing 2D covalent organic framework
- “2D oxide nanomaterials to address the energy transition and catalysis”, Advanced Materials, 2019, 1801712.
- “Origin of the Unusual Stability of Zeolite-Encapsulated Sub-Nanometre Platinum”, ACS Catalysis, 2020, 10, 11057.
Faculty of Science
prof. RNDr. Petr Nachtigall, Ph.D.
T: (+420) 221 951 289
We have an interest for motivated post graduate students interesting in Physical and Macromolecular Chemistry.