Lista de obras - Witold Piskorz - Dominio Público Uruguay

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

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

artículo científico publicado en 2007

DFT Modeling of Reaction Mechanism and Ab Initio Microkinetics of Catalytic N 2 O Decomposition over Alkaline Earth Oxides: From Molecular Orbital Picture Account to Simulation of Transient and Stationary Rate Profiles

artículo científico publicado en 2013

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

artículo científico publicado en 2008

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

artículo científico publicado en 2015

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

artículo científico publicado en 2008

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

artículo científico publicado en 2011

Hydrodenitrogenation of indole over Mo2C catalyst: Insights into mechanistic events through DFT modeling

artículo científico publicado en 2007

Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)

scientific article published on 01 June 2019

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

artículo científico publicado en 2014

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

artículo científico publicado en 2015

Periodic DFT and Atomistic Thermodynamic Modeling of the Surface Hydration Equilibria and Morphology of Monoclinic ZrO 2 Nanocrystals

artículo científico publicado en 2011

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

artículo científico publicado en 2011

Periodic Density Functional Theory and Atomistic Thermodynamic Studies of Cobalt Spinel Nanocrystals in Wet Environment: Molecular Interpretation of Water Adsorption Equilibria

artículo científico publicado en 2010

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

artículo científico publicado en 2013

Spin-resolved NOCV analysis of the zeolite framework influence on the interaction of NO with Cu(I/II) sites in zeolites

artículo científico publicado en 2015

Structural Studies of Aluminated form of Zeolites-EXAFS and XRD Experiment, STEM Micrography, and DFT Modelling

artículo científico publicado en 2021

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

artículo científico publicado en 2012

Temperature-dependent orientation of self-organized nanopatterns on ion-irradiated TiO2(110)

scholarly article in Physical Review B, vol. 88 no. 19, November 2013

Thermodynamic Stability, Redox Properties, and Reactivity of Mn 3 O 4 , Fe 3 O 4 , and Co 3 O 4 Model Catalysts for N 2 O Decomposition: Resolving the Origins of Steady Turnover

artículo científico publicado en 2016

Towards the understanding of the gold interaction with AIII-BV semiconductors at the atomic level

scientific article published on 14 April 2020

Lista de obras de Witold Piskorz

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

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

DFT Modeling of Reaction Mechanism and Ab Initio Microkinetics of Catalytic N 2 O Decomposition over Alkaline Earth Oxides: From Molecular Orbital Picture Account to Simulation of Transient and Stationary Rate Profiles

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

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

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

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

Hydrodenitrogenation of indole over Mo2C catalyst: Insights into mechanistic events through DFT modeling

Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)

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

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

Periodic DFT and Atomistic Thermodynamic Modeling of the Surface Hydration Equilibria and Morphology of Monoclinic ZrO 2 Nanocrystals

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

Periodic Density Functional Theory and Atomistic Thermodynamic Studies of Cobalt Spinel Nanocrystals in Wet Environment: Molecular Interpretation of Water Adsorption Equilibria

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

Spin-resolved NOCV analysis of the zeolite framework influence on the interaction of NO with Cu(I/II) sites in zeolites

Structural Studies of Aluminated form of Zeolites-EXAFS and XRD Experiment, STEM Micrography, and DFT Modelling

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

Temperature-dependent orientation of self-organized nanopatterns on ion-irradiated TiO2(110)

Thermodynamic Stability, Redox Properties, and Reactivity of Mn 3 O 4 , Fe 3 O 4 , and Co 3 O 4 Model Catalysts for N 2 O Decomposition: Resolving the Origins of Steady Turnover

Towards the understanding of the gold interaction with AIII-BV semiconductors at the atomic level