Karoliina Honkala

University of Jyväskylä — Finland

Materials Science · Physical Sciences

41h-index6.9kcitations194works4.32yr avg
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Research Topics

Catalytic Processes in Materials Science(100), Electrocatalysts for Energy Conversion(52), Advanced Chemical Physics Studies(33), Ammonia Synthesis and Nitrogen Reduction(28), Catalysis and Oxidation Reactions(26)

Publications194 total

Unraveling the ligand effect on acrolein hydrogenation on Pd(111): Insights from first-principles calculations
Journal of Catalysis·2026Open Access
Production of Isobutylene from Syngas – Isosynthesis Over Zirconia-Based Catalysts
Topics in Catalysis·2025· 1 citedOpen Access
Effects of Charge, Dopant, and H Saturation on the Hydrogen Evolution Activity of Au <sub>25</sub> -Based Thiolate-Protected Nanoclusters
ACS electrochemistry.·2025Open Access
Simulating iron in oxygen-containing environments: An improved Fe–O interaction for density-functional tight-binding
The Journal of Chemical Physics·2025Open Access
Editorial on “Modelling of Hybrid and Composite Materials” Special Issue
Hybrid Advances·2025Open Access
Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction
2025Open Access
Sustainable urban mining of silver with fatty acids
Chemical Engineering Journal·2025· 1 citedOpen Access
Mechanistic Insights into Pt‐Catalyzed Glycerol Oxidation: Effects of pH and Potential
ChemCatChem·2025· 1 citedOpen Access
Unraveling the Ligand Effect on Acrolein Hydrogenation on Pd(111):  Insights from First- Principles Calculations
SSRN Electronic Journal·2025Open Access
Synergistic pyrolysis of Cellulose/Fe-MOF Composite: A Combined experimental and DFT study on dye removal
Chemical Engineering Journal·2024· 24 citedOpen Access
Modeling electrocatalytic ammonia formation via constant potential DFT calculations
2024
Effects of charge, dopant, and H saturation on the hydrogen evolution activity of Au25-based thiolate-protected nanoclusters
2024Open Access
Computational insight into the selectivity of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si14.svg" display="inline" id="d1e1333"><mml:mi>γ</mml:mi></mml:math>-valerolactone hydrodeoxygenation over Rh(111) and Ru(0001)
Surface Science·2024Open Access
Valorisation of biomass over metal catalysts via first principles calculations
2024
Modeling electrocatalytic interfaces via advanced DFT calculations
2024
Influence of Cu:Fe ratio in synthesis of higher alcohols from syngas over CuFeCoK/attapulgite catalysts
Applied Catalysis O Open·2024· 5 citedOpen Access
Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction
2024· 4 citedOpen Access
Computational Exploration of Subnano Zn and Cu Species on Cu/ZrO<sub>2</sub>: Implications for Methanol Synthesis
The Journal of Physical Chemistry C·2024· 2 cited
Sequential Selective Dissolution of Coinage Metals in Recyclable Ionic Media
Angewandte Chemie·2024· 2 citedOpen Access
Sequential Selective Dissolution of Coinage Metals in Recyclable Ionic Media
Angewandte Chemie International Edition·2024· 8 citedOpen Access
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Frequent Co-authors

Jens K. Nørskov(12), Hannu Häkkinen(11), Marko Melander(10), Anders Hellman(7), Søren Dahl(7), Pentti Frondelius(6), Ioannis N. Remediakis(4), Á. Logadóttir(4), Claus H. Christensen(4), Kari Laasonen(4), Jenni Andersin(4), Anna Carlsson(3), Geert–Jan Kroes(3), R. A. Olsen(3), Jonathan Vincent(3), Leon Lefferts(3), Jaana Kanervo(3), Ronnie T. Vang(2), Ebbe K. Vestergaard(2), Joachim Schnadt(2)