Struktury i dynamiki materiałów nanokrystalicznych

Zespół badawczy nr 16

Struktury i dynamiki materiałów nanokrystalicznych

Kierownik zespołu

dr hab. Zbigniew Kaszkur, prof. Instytutu

Tematyka badawcza

Badania struktury nanokrystalicznych materiałów (głównie metali i stopów) i dynamiki jej zmian w trakcie oddziaływania z gazami na powierzchni, reakcji chemicznych i zjawisk transportu. Badamy strukturę w skali atomowej metodami dyfrakcyjnymi I symulacji atomistycznych w dużej skali, rozwijając narzędzia nanokrystalografii, w tym kwazikrystalicznych układów nieperiodycznych. Badania koncentrują się na obiektach o znaczeniu katalitycznym.


  • dr inż. Wojciech Juszczyk
  • dr hab. Beata Lesiak-Orłowska
  • dr Dmytro Lisovytskiy 
  • dr Bogusław Mierzwa 
  • mgr Neha Rangam 
  • mgr Ilia Smirnov 
  • dr inż. Maciej Zieliński


Diffusion and segregation kinetics in immiscible metallic nanoalloys Au-Pt

W ramach projektu “Diffusion in bimetallic nanoalloys”. Badania skoncentrowane na porzemianach morfologicznych, separacji faz I procesach dyfuzji przebiegających innaczej w różnych atmosferach gazowych, gdzie powierzchnia moze być immobilizowana przy pomocy chemisorpcji.

Structure dynamics of surface of catalytic systems based on nanocrystalline gold loaded on oxide supports in chemoselective reduction of (Volatile) α,β-Unsaturated Carbonyl compounds (R-(V)ABUC)

Badania zmian morfologii złota w trakcie reakcji I możliwej rekonstrukcji powierzchni.



Giannakoudakis, D. A., Vikrant, K., LaGrow, A. P., Lisovitskiy, D., Kim, K.-H., Bandosz, T. J., & Colmenares, J. C.
Scrolled titanate nanosheet composites with reduced graphite oxide for photocatalytic and adsorptive removal of toxic vapors.
Chemical Engineering Journal,

Patkowski, W., Kowalik, P., Antoniak-Jurak, K., Zybert, M., Ronduda, H., Mierzwa, B., Próchniak, W., & Raróg-Pilecka, W.
On the Effect of Flash Calcination Method on the Characteristics of Cobalt Catalysts for Ammonia Synthesis Process.
European Journal of Inorganic Chemistry,


Fritz Haber Institute (Max Planck Society)

Współpraca nakierowana na skorelowanie wyników badań opracowaną przez nas metodą nanoproszkowej dyfrakcji rtg. Z wynikami rozwijanych współcześniebadań wysokorozdzielczej mikroskopii elektronowej in situ.

Institute of Catalysis Bulgarian Academy of Science

Charakteryzacja strukturalna katalizatorów opartych na nanokrystalicznym złocie w reakcjach utleniania CO2 (PROX I WGS)

Sheridan College, Ontario, Canada

Cadania in situ katalizatorów Au naniesionych na (dotowany) tlenek ceru.

Laboratoire Materiaux et Phenomenes Quantiques (CNRS UMR 7162) Universite Paris 7

Badania wysokorozdzielczej mikroskopii elektronowej in situ.

Szereg uczelni i instytucji krajowych.


17.08.2010- 31.12.2014

nternational project non-cofunded : "Segregation dynamics and three-stage melting process of nanocrystalline bimetallic alloys- structure in-situ study and atomistic simulations" 17.08.2010- 31.12.2014, granted by Ministry of Science and Higher Education, decision No 753/N-COST/2010/0, principal investigator.Z.Kaszkur.


Determination of a Pd-Ag mobility rates in nanoalloy and establishing controll over its segregation state, promoting Pd segregation via CO adsorption. Discovery of a method to uniformize non-uniform Pd-Ag alloy.


Research Project N N204097839 :"Structure evolution of metal-catalyst during surface chemical reaction" granted by Ministry of Science and Higher Education, dates 20.08.2010-19.12.2013, principal investigator Z.Kaszkur.


Developement and application of a new method of XRD structural studies in situ of nanometals and of dynamics of their surface. Developement of a method enabling detection of surface reconstruction effects versus surface relaxation. Discovery and insight into a new process of quick Pt nanocrystal coallescence rationalized via self-lifting reconstruction mechanism.


Research Project 2014/13/B/ST4/04619 :"Structure dynamics of nanocrystalline gold during WGS and PROX reactions- new approachto the reaction mechanism", 20.02.2015- , granted by National Science Center of Poland,

principal investigator Z.Kaszkur.

01.03.2019 - 28.02.2022

Research project 2018/29/B/ST4/00710 "Diffusion in bimetallic nanoalloys" granted by National Science Center (NCN) of Poland.
Principal investigator Z.Kaszkur.

01.02.2019 - 30.09.2020

Research project 2018/29/N/ST4/01465 granted by National Science Centre of Poland

"Structure dynamics of surface of catalytic systems based on nanocrystalline gold loaded on oxide supports in chemoselective Reduction of (Volatile) α,β-Unsaturated Carbonyl compounds (R-(V)ABUC)"

Principal Investigator: Maciej Zieliński, PhD Eng.

The main idea of this project was inspired by curiosity to answer the question how supported heterogeneous gold (Au) catalysts work. They are going to be tested in reaction of Reduction of (Volatile) α,β–Unsaturated Carbonyl compounds (R-(V)ABUC) with gaseous hydrogen. Among possible outcomes of this reaction, production of unsaturated alcohol (allylic alcohol) is the most challenging. The main aim concentrates on explaining why gold catalysts can be efficiently applied to production of derivatives of unsaturated carbonyl compounds.

As bulk gold does not interact readily with surroundings even if its surface was modified and developed, a hypothesis was formulated that the whole gold particle structure reconstruction is necessary in order that gold becomes a chemically active species. In contrast to bulk, in which any distortion created on the surface can be dissipated and compensated in the volume of the (poly)crystal, surface of a nanocrystal is a significant and, thus, important part of its structure. Following this concept, any disturbance of the equilibrium state of the surface should also affect deeper parts of the particle structure as a result of the attempt to compensate the influence of external stimulus.

One of the best techniques to track cyclic structural changes happening under reaction conditions is in operando Nanocrystalline X-Ray Diffraction (NXRD), which has been established and developed in our laboratory. This technique is based on standard Powder X-Ray Diffraction (PXRD), but is arranged into an in-operando setup and is coupled with Mass Spectrometry (MS). Our customised measurement strategy allows for acquisition of diffraction patterns (DP) while MS spectra are monitored on-line and other experimental parameters (including temperatures and gas flows) are logged at the same time. After extracting crystal structure description from DP the reversible changes of structure parameters of gold and support are presented as a function of time, chemical reaction output, etc.

Additionally, adsorbates on the surface will be identified by in-situ Infrared Spectroscopy (IR) and their interactions with the surface will be correlated with crystal structure evolution. Crystal lattice will be also investigated at the atomic level by Transmission Electron Microscopy (TEM).

The results of this research will show dynamics of the surface which is as a whole the active centre of the catalyst. New point of view on the catalytic systems together with new data are likely to be the crucial step towards development of this branch of chemistry.

The project summary is available also on the official site of the National Science Centre of Poland: