Total oxidation of lean methane over cobalt spinel nanocubes controlled by the self-adjusted redox state of the catalyst: experimental and theoretical account for interplay … F Zasada, J Janas, W Piskorz, M Gorczynska, Z Sojka ACS Catalysis 7 (4), 2853-2867, 2017 | 132 | 2017 |
Mg and Al substituted cobalt spinels as catalysts for low temperature deN2O—Evidence for octahedral cobalt active sites P Stelmachowski, G Maniak, J Kaczmarczyk, F Zasada, W Piskorz, ... Applied Catalysis B: Environmental 146, 105-111, 2014 | 123 | 2014 |
Thermodynamic Stability, Redox Properties, and Reactivity of Mn3O4, Fe3O4, and Co3O4 Model Catalysts for N2O Decomposition: Resolving the Origins of … J Kaczmarczyk, F Zasada, J Janas, P Indyka, W Piskorz, A Kotarba, ... ACS Catalysis 6 (2), 1235-1246, 2016 | 121 | 2016 |
Periodic density functional theory and atomistic thermodynamic studies of cobalt spinel nanocrystals in wet environment: molecular interpretation of water adsorption equilibria F Zasada, W Piskorz, S Cristol, JF Paul, A Kotarba, Z Sojka The Journal of Physical Chemistry C 114 (50), 22245-22253, 2010 | 117 | 2010 |
Decomposition of N2O over the surface of cobalt spinel: A DFT account of reactivity experiments W Piskorz, F Zasada, P Stelmachowski, A Kotarba, Z Sojka Catalysis today 137 (2-4), 418-422, 2008 | 117 | 2008 |
Surface Structure and Morphology of M[CoM′]O4 (M = Mg, Zn, Fe, Co and M′ = Ni, Al, Mn, Co) Spinel NanocrystalsDFT+U and TEM Screening Investigations F Zasada, J Grybos, P Indyka, W Piskorz, J Kaczmarczyk, Z Sojka The Journal of Physical Chemistry C 118 (33), 19085-19097, 2014 | 93 | 2014 |
Reactive Oxygen Species on the (100) Facet of Cobalt Spinel Nanocatalyst and their Relevance in 16O2/18O2 Isotopic Exchange, de N2O, and de CH4 Processes A Theoretical and … F Zasada, W Piskorz, J Janas, J Grybos, P Indyka, Z Sojka ACS Catalysis 5 (11), 6879-6892, 2015 | 84 | 2015 |
Periodic DFT and Atomistic Thermodynamic Modeling of the Surface Hydration Equilibria and Morphology of Monoclinic ZrO2 Nanocrystals W Piskorz, J Grybos, F Zasada, S Cristol, JF Paul, A Adamski, Z Sojka The Journal of Physical Chemistry C 115 (49), 24274-24286, 2011 | 84 | 2011 |
Periodic DFT and HR-STEM studies of surface structure and morphology of cobalt spinel nanocrystals. Retrieving 3D shapes from 2D images F Zasada, W Piskorz, P Stelmachowski, A Kotarba, JF Paul, T Płociński, ... The Journal of Physical Chemistry C 115 (14), 6423-6432, 2011 | 84 | 2011 |
Periodic DFT Study of the Tetragonal ZrO2 Nanocrystals: Equilibrium Morphology Modeling and Atomistic Surface Hydration Thermodynamics W Piskorz, J Grybos, F Zasada, P Zapała, S Cristol, JF Paul, Z Sojka The Journal of Physical Chemistry C 116 (36), 19307-19320, 2012 | 74 | 2012 |
Polymerization of polyanthrylene on a titanium dioxide (011)-(2× 1) surface. M Kolmer, AA Ahmad Zebari, JS Prauzner-Bechcicki, W Piskorz, F Zasada, ... Angewandte Chemie International Edition 52 (39), 2013 | 73 | 2013 |
Cobalt spinel at various redox conditions: DFT+ U investigations into the structure and surface thermodynamics of the (100) facet F Zasada, W Piskorz, Z Sojka The Journal of Physical Chemistry C 119 (33), 19180-19191, 2015 | 72 | 2015 |
Guidelines for optimization of catalytic activity of 3d transition metal oxide catalysts in N2O decomposition by potassium promotion G Maniak, P Stelmachowski, F Zasada, W Piskorz, A Kotarba, Z Sojka Catalysis Today 176 (1), 369-372, 2011 | 64 | 2011 |
Computational spectroscopy and DFT investigations into nitrogen and oxygen bond breaking and bond making processes in model deNOx and deN2O reactions P Pietrzyk, F Zasada, W Piskorz, A Kotarba, Z Sojka Catalysis today 119 (1-4), 219-227, 2007 | 62 | 2007 |
Self-Sensitized Photocatalytic Degradation of Colorless Organic Pollutants Attached to Rutile Nanorods Experimental and Theoretical DFT+ D Studies K Qi, F Zasada, W Piskorz, P Indyka, J Grybos, M Trochowski, ... The Journal of Physical Chemistry C 120 (10), 5442-5456, 2016 | 61 | 2016 |
Supramolecular ordering of PTCDA molecules: The key role of dispersion forces in an unusual transition from physisorbed into chemisorbed state S Godlewski, A Tekiel, W Piskorz, F Zasada, JS Prauzner-Bechcicki, ... ACS nano 6 (10), 8536-8545, 2012 | 61 | 2012 |
Computational and Experimental Investigations into N2O Decomposition over MgO Nanocrystals from Thorough Molecular Mechanism to ab initio Microkinetics W Piskorz, F Zasada, P Stelmachowski, O Diwald, A Kotarba, Z Sojka The Journal of Physical Chemistry C 115 (45), 22451-22460, 2011 | 50 | 2011 |
The interaction of CO, N2 and NO with Cu cations in ZSM-5: quantum chemical description and IR study E Broclawik, J Datka, B Gil, W Piskorz, P Kozyra Topics in Catalysis 11, 335-341, 2000 | 50 | 2000 |
Molecular Structure, Spin Density Distribution, and Hyperfine Coupling Constants of the η{CuNO}11 Adduct in the ZSM-5 Zeolite: DFT Calculations and … P Pietrzyk, W Piskorz, Z Sojka, E Broclawik The Journal of Physical Chemistry B 107 (25), 6105-6113, 2003 | 49 | 2003 |
DFT Modeling of Reaction Mechanism and Ab Initio Microkinetics of Catalytic N2O Decomposition over Alkaline Earth Oxides: From Molecular Orbital Picture … W Piskorz, F Zasada, P Stelmachowski, A Kotarba, Z Sojka The Journal of Physical Chemistry C 117 (36), 18488-18501, 2013 | 43 | 2013 |