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Witold Piskorz

Jagiellonian University

56

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1286

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Covalently bonded surface functional groups on carbon nanotubes: from molecular modeling to practical applications

2021 Nanoscale
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Into the Origin of Electrical Conductivity for the Metal-Semiconductor Junction at the Atomic Level.

2021 arXiv: Materials Science
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Stability of oxygen-functionalized graphenic surfaces: theoretical and experimental insights into electronic properties and wettability

2021 Applied Surface Science
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Toward the Mechanism of o-Xylene Isomerization in Selected Zeolites of Different Si/Al Ratios and Channel Sizes—Experiment Corroborated by Periodic DFT + D Simulations

2021 Journal of Physical Chemistry C
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Structural Studies of Aluminated form of Zeolites-EXAFS and XRD Experiment, STEM Micrography, and DFT Modelling.

2021 Molecules
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Multiscale exploration of hydrocarbon adsorption and hopping through ZSM-5 channels - from Monte Carlo modelling to experiment.

2021 Physical Chemistry Chemical Physics
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Hydrothermal Synthesis of Euhedral Co3O4 Nanocrystals via Nutrient-Assisted Topotactic Transformation of the Layered Co(OH)2 Precursor under Anoxic Conditions: Insights into Intricate Routes Leading to Spinel Phase Development and Shape Perfection

2020 Crystal Growth & Design
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Adsorption of NO2 and NO3 on Cobalt Spinel Nanocubes and Interfacial Dynamics of the Resultant NOx Adspecies (x = 1, 2, 3) – a DFT, Atomistic Thermodynamic, IR and Isotopic Exchange Study

2020 Journal of Physical Chemistry C
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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

2019 Journal of Physics: Condensed Matter
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Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)

2019 Journal of Chemical Physics
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