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Physical Chemistry

Working Paper

First-principles insight into CO hindered agglomeration of Rh and Pt single atoms on ZrO2

Minttu M. Kauppinen, Marko Melander, Karoliina Honkala

Version 1 posted 31 March 2020

399

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Catalysis

Working Paper

Influence of a Cu-Zirconia Interface Structure on CO2 Adsorption and Activation

Lars Gell, Aku Lempelto, toni Kiljunen, Karoliina Honkala

Version 1 posted 09 March 2021

186

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Catalysis

Working Paper

Computational Screening of Doped Graphene Electrodes for Alkaline CO2 Reduction

Anand Mohan Verma, Karoliina Honkala, Marko Melander

Version 1 posted 17 September 2020

646

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Catalysis

Working Paper

ReOx as a Brønsted acidic modifier in glycerol hydrodeoxygenation: computational insight into the balance between acid and metal catalysis

Ville Korpelin, Gokarneswar Sahoo, Rasmus Ikonen, Karoliina Honkala

Version 1 posted 16 November 2022

160

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Theoretical and Computational Chemistry

Working Paper

Computational Criteria for Hydrogen Evolution Activity on Ligand-protected Au25-based Nanoclusters

Omar Lopez-Estrada, Nisha Mammen, Laura Laverdure, Marko Melander, Hannu Häkkinen, Karoliina Honkala

Version 1 posted 03 January 2023

231

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1

Citations

Catalysis

Working Paper

Escaping Scaling Relationships for Water Dissociation at Interfacial Sites of Zirconia-Supported Rh and Pt Clusters

Minttu M. Kauppinen, Ville Korpelin, Anand Mohan Verma, Marko Melander, Karoliina Honkala

Version 1 posted 05 September 2019

584

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1

Citations

Catalysis

Working Paper

On the Mechanistic Origins of the pH-Dependency in Au-Catalyzed Glycerol Electro-Oxidation: Insight from First Principles Calculations

Anand Mohan Verma, Laura Laverdure, Marko Melander, Karoliina Honkala

Version 5 posted 09 December 2021

567

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Physical Chemistry

Working Paper

Grand-Canonical Approach to Density Functional Theory of Electrocatalytic Systems: Thermodynamics of Solid-Liquid Interfaces at Constant Ion and Electrode Potentials

Marko Melander, Mikael Kuisma, Thorbjørn Christensen, Karoliina Honkala

Version 2 posted 04 September 2018

1,567

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Chemical Engineering and Industrial Chemistry

Working Paper

Atomic layer deposition of zinc oxide on mesoporous zirconia using zinc(II) acetylacetonate and air

Jihong Yim, Eero Haimi, Miia Mäntymäki, Vile Kärkäs, René Bes, Aitor Arandia Gutierrez, Kristoffer Meinander, Philipp Brüner, Thomas Grehl, Lars Gell, Tiia Viinikainen, Karoliina Honkala, Simo Huotari, Reetta Karinen, Matti Putkonen, Riikka L. Puurunen

Version 3 posted 01 September 2023

294

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Catalysis

Working Paper

Ligand assisted hydrogenation of levulinic acid on Pt(111) from first principles calculations

Lars Gell, Karoliina Honkala

Version 1 posted 22 October 2021

117

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Refine Search

17 results in Karoliina Honkala in Authors: Karoliina Honkala

First-principles insight into CO hindered agglomeration of Rh and Pt single atoms on ZrO2

Influence of a Cu-Zirconia Interface Structure on CO2 Adsorption and Activation

Computational Screening of Doped Graphene Electrodes for Alkaline CO2 Reduction

ReOx as a Brønsted acidic modifier in glycerol hydrodeoxygenation: computational insight into the balance between acid and metal catalysis

Computational Criteria for Hydrogen Evolution Activity on Ligand-protected Au25-based Nanoclusters

Escaping Scaling Relationships for Water Dissociation at Interfacial Sites of Zirconia-Supported Rh and Pt Clusters

On the Mechanistic Origins of the pH-Dependency in Au-Catalyzed Glycerol Electro-Oxidation: Insight from First Principles Calculations

Grand-Canonical Approach to Density Functional Theory of Electrocatalytic Systems: Thermodynamics of Solid-Liquid Interfaces at Constant Ion and Electrode Potentials

Atomic layer deposition of zinc oxide on mesoporous zirconia using zinc(II) acetylacetonate and air

Ligand assisted hydrogenation of levulinic acid on Pt(111) from first principles calculations

17 results in Authors: Karoliina Honkala