Filip Zasada

发表

Thermodynamic Stability, Redox Properties, and Reactivity of Mn3O4, Fe3O4, and Co3O4 Model Catalysts for N2O Decomposition: Resolving the Origins of Steady Turnover

J. Kaczmarczyk, A. Kotarba, W. Piskorz, 2016 .

Catalytic performance of mixed MxCo3−xO4 (M = Cr, Fe, Mn, Ni, Cu, Zn) spinels obtained by combustion synthesis for preferential carbon monoxide oxidation (CO-PROX): insights into the factors controlling catalyst selectivity and activity

J. Janas, J. Gryboś, Z. Sojka, 2022, Catalysis Science & Technology.

Polymerization of polyanthrylene on a titanium dioxide (011)-(2×1) surface.

W. Piskorz, M. Szymoński, J. Prauzner-Bechcicki, 2013, Angewandte Chemie.

Self-Sensitized Photocatalytic Degradation of Colorless Organic Pollutants Attached to Rutile Nanorods—Experimental and Theoretical DFT+D Studies

W. Macyk, W. Piskorz, K. Qi, 2016 .

Copper ionic pairs as possible active sites in N2O decomposition on CuOx/CeO2 catalysts

W. Zając, A. Adamski, Z. Sojka, 2012 .

Periodic DFT Study of the Tetragonal ZrO2 Nanocrystals: Equilibrium Morphology Modeling and Atomistic Surface Hydration Thermodynamics

J. Paul, W. Piskorz, J. Gryboś, 2012 .

Surface Structure and Morphology of M[CoM′]O4 (M = Mg, Zn, Fe, Co and M′ = Ni, Al, Mn, Co) Spinel Nanocrystals—DFT+U and TEM Screening Investigations

J. Kaczmarczyk, W. Piskorz, J. Gryboś, 2014 .

Mono- and Diatomic Reactive Oxygen Species Produced upon O2 Interaction with the (111) Facet of Cobalt Spinel at Various Conditions—Molecular DFT and Atomistic Thermodynamic Investigations

W. Piskorz, J. Gryboś, Z. Sojka, 2018, The Journal of Physical Chemistry C.

Cobalt Spinel at Various Redox Conditions: DFT+U Investigations into the Structure and Surface Thermodynamics of the (100) Facet

W. Piskorz, Z. Sojka, Filip Zasada, 2015 .

Optimization of Multicomponent Cobalt Spinel Catalyst for N2O Abatement from Nitric Acid Plant Tail Gases: Laboratory and Pilot Plant Studies

A. Kotarba, M. Wilk, P. Stelmachowski, 2009 .

Potassium Promotion of Cobalt Spinel Catalyst for N2O Decomposition—Accounted by Work Function Measurements and DFT Modelling

A. Kotarba, J. Paul, P. Stelmachowski, 2009 .

Computational spectroscopy and DFT investigations into nitrogen and oxygen bond breaking and bond making processes in model deNOx and deN2O reactions

A. Kotarba, W. Piskorz, P. Pietrzyk, 2007 .

Periodic DFT and Atomistic Thermodynamic Modeling of the Surface Hydration Equilibria and Morphology of Monoclinic ZrO2 Nanocrystals

J. Paul, W. Piskorz, A. Adamski, 2011 .

Periodic DFT and HR-STEM Studies of Surface Structure and Morphology of Cobalt Spinel Nanocrystals. Retrieving 3D Shapes from 2D Images

T. Płociński, K. Kurzydłowski, A. Kotarba, 2011 .

Chemical Functionalization of the TiO2(110)-(1 × 1) Surface by Deposition of Terephthalic Acid Molecules. A Density Functional Theory and Scanning Tunneling Microscopy Study

W. Piskorz, M. Szymoński, J. Prauzner-Bechcicki, 2011 .

Catalytic Properties of Selected Transition Metal Oxides—Computational Studies

W. Piskorz, Filip Zasada, 2019, Transition Metals in Coordination Environments.

Reactive Oxygen Species on the (100) Facet of Cobalt Spinel Nanocatalyst and their Relevance in 16O2/18O2 Isotopic Exchange, deN2O, and deCH4 Processes—A Theoretical and Experimental Account

W. Piskorz, J. Janas, J. Gryboś, 2015 .

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 between the Langmuir–Hinshelwood and Mars–Van Krevelen Mechanisms

W. Piskorz, J. Janas, Z. Sojka, 2017 .

Mg and Al substituted cobalt spinels as catalysts for low temperature deN2O—Evidence for octahedral cobalt active sites

J. Kaczmarczyk, A. Kotarba, P. Stelmachowski, 2014 .

Guidelines for optimization of catalytic activity of 3d transition metal oxide catalysts in N2O decomposition by potassium promotion

A. Kotarba, P. Stelmachowski, W. Piskorz, 2011 .

Computational and Experimental Investigations into N2O Decomposition over MgO Nanocrystals from Thorough Molecular Mechanism to ab initio Microkinetics

A. Kotarba, P. Stelmachowski, O. Diwald, 2011 .

Surface oxygen dynamics and H2 oxidation on cobalt spinel surface probed by 18O/16O isotopic exchange and accounted for by DFT molecular modeling: facile interfacial oxygen atoms flipping through transient peroxy intermediate

W. Piskorz, J. Janas, Z. Sojka, 2017, Research on Chemical Intermediates.

Decomposition of N2O over the surface of cobalt spinel: A DFT account of reactivity experiments

A. Kotarba, P. Stelmachowski, W. Piskorz, 2008 .

Total oxidation of lean methane over cobalt spinel nanocubes—Mechanistic vistas gained from DFT modeling and catalytic isotopic investigations

J. Janas, J. Gryboś, Z. Sojka, 2020 .

Supramolecular ordering of PTCDA molecules: the key role of dispersion forces in an unusual transition from physisorbed into chemisorbed state.

W. Piskorz, M. Szymoński, J. Prauzner-Bechcicki, 2012, ACS nano.

On-surface polymerization on a semiconducting oxide: aryl halide coupling controlled by surface hydroxyl groups on rutile TiO2(011).

S. Hecht, D. Bléger, W. Piskorz, 2015, Chemical communications.

Interaction of nitric oxide with the (1 0 0) surface of cobalt spinel nanocubes – A comprehensive DFT, atomistic thermodynamic, IR and TPD account

K. Góra-Marek, J. Janas, J. Gryboś, 2020 .

Adsorption of NO2 and NO3 on Cobalt Spinel Nanocubes and Interfacial Dynamics of the Resultant NOx Adspecies (x = 1, 2, and 3): DFT, Atomistic Thermodynamic, IR, and Isotopic Exchange Study

K. Góra-Marek, W. Piskorz, J. Janas, 2020 .

Analysis of NH3-TPD Profiles for CuSSZ-13 SCR Catalyst of Controlled Al Distribution - Complexity Resolved by First Principles Thermodynamics of NH3 Desorption, IR and EPR Insight into Cu Speciation.

Zhen Zhao, K. Góra-Marek, J. Dědeček, 2021, Chemistry.

Periodic DFT+D Molecular Modeling of the Zn-MOF-5(100)/(110)TiO2 Interface: Electronic Structure, Chemical Bonding, Adhesion, and Strain

W. Piskorz, J. Gryboś, Z. Sojka, 2014 .

Attaching titania clusters of various size to reduced graphene oxide and its impact on the conceivable photocatalytic behavior of the junctions—a DFT/D + U and TD DFTB modeling

A. Morawski, W. Macyk, W. Piskorz, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

DFT Modeling of Reaction Mechanism and Ab Initio Microkinetics of Catalytic N2O Decomposition over Alkaline Earth Oxides: From Molecular Orbital Picture Account to Simulation of Transient and Stationary Rate Profiles

A. Kotarba, P. Stelmachowski, W. Piskorz, 2013 .

Experimental and DFT studies of N2O decomposition over bare and Co-doped magnesium oxide—insights into the role of active sites topology in dry and wet conditions

A. Kotarba, J. Paul, P. Stelmachowski, 2008 .

Evaluation of the inhibiting effect of H2O, O2, and NO on the performance of laboratory and pilot K-ZnxCo3-xO4 catalysts supported on α-Al2O3 for low-temperature N2O decomposition

A. Kotarba, G. Grzybek, B. Leszczyński, 2021 .

Isotopic investigations into oxygen activation on Co3O4|CeO2 heterojunctions – Mechanistic role of the interface and the spinel-ceria ratio

J. Gryboś, Z. Sojka, Filip Zasada, 2023, Catalysis Communications.

Density Functional Theory Modeling and Time-of-Flight Secondary Ion Mass Spectrometric and X-ray Photoelectron Spectroscopic Investigations into Mechanistic Key Events of Coronene Oxidation: Toward Molecular Understanding of Soot Combustion

A. Kotarba, P. Stelmachowski, W. Piskorz, 2015 .

Oxygen species stabilized on the cobalt spinel nano-octahedra at various reaction conditions and their role in catalytic CO and CH4 oxidation, N2O decomposition and oxygen isotopic exchange

J. Janas, J. Gryboś, Z. Sojka, 2019, Journal of Catalysis.

Temperature-dependent orientation of self-organized nanopatterns on ion-irradiated TiO 2 (110)

F. Krok, F. Mongeot, W. Piskorz, 2013 .

Cobalt Spinel (111) Facets of Various Stoichiometry—DFT+U and Ab Initio Thermodynamic Investigations

W. Piskorz, J. Gryboś, Z. Sojka, 2018 .