Karoliina Honkala
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Finnish chemist
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Chemistry
Karoliina Honkala's Degrees
- PhD Chemistry University of Helsinki
- Masters Chemistry University of Helsinki
- Bachelors Chemistry University of Helsinki
Why Is Karoliina Honkala Influential?
(Suggest an Edit or Addition)According to Wikipedia, Karoliina Honkala is a Finnish chemist who is a professor at the University of Jyväskylä. Her research considers heterogeneous and electro-catalysis. She was awarded the 2015 Berzelius Award of the Nordic Catalysis Society and elected to the Finnish Academy of Science and Letters in 2022.
Karoliina Honkala's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Ammonia Synthesis from First-Principles Calculations (2005) (887)
- Controlling the catalytic bond-breaking selectivity of Ni surfaces by step blocking (2005) (256)
- Predicting catalysis: understanding ammonia synthesis from first-principles calculations. (2006) (166)
- Metal ammine complexes for hydrogen storage (2005) (156)
- Atomistic Insights into Nitrogen-Cycle Electrochemistry: A Combined DFT and Kinetic Monte Carlo Analysis of NO Electrochemical Reduction on Pt(100) (2017) (133)
- On the Compensation Effect in Heterogeneous Catalysis (2003) (122)
- Density Functional Theory Study on Propane and Propene Adsorption on Pt(111) and PtSn Alloy Surfaces (2011) (111)
- Selectivity in propene dehydrogenation on Pt and Pt3Sn surfaces from first principles (2013) (106)
- Quantum well states in two-dimensional gold clusters on MgO thin films. (2008) (104)
- Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials. (2018) (99)
- Ethylene dissociation on flat and stepped Ni(111): A combined STM and DFT study (2006) (98)
- Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide (2015) (97)
- Carbon dioxide activation and reaction induced by electron transfer at an oxide-metal interface. (2015) (73)
- Multidimensional effects on dissociation of N2 on Ru(0001). (2006) (72)
- Atomically Precise, Thiolated Copper–Hydride Nanoclusters as Single-Site Hydrogenation Catalysts for Ketones in Mild Conditions (2019) (70)
- Ammonia synthesis and decomposition on a Ru-based catalyst modeled by first-principles (2009) (67)
- Charging of atoms, clusters, and molecules on metal-supported oxides: A general and long-ranged phenomenon (2008) (61)
- Ab initio study of O2 precursor states on the Pd(111) surface (2001) (61)
- Au Adsorption on Regular and Defected Thin MgO(100) Films Supported by Mo (2007) (59)
- ALD Grown Aluminum Oxide Submonolayers in Dye-Sensitized Solar Cells: The Effect on Interfacial Electron Transfer and Performance (2011) (54)
- CO and NO adsorption and co-adsorption on the Pd(111) surface (2001) (53)
- Adsorption of small Au clusters on MgO and MgO/Mo: the role of oxygen vacancies and the Mo-support (2007) (53)
- DFT Study on the Complex Reaction Networks in the Conversion of Ethylene to Ethylidyne on Flat and Stepped Pd (2009) (51)
- Electronic structure of MgO-supported Au clusters: quantum dots probed by scanning tunneling microscopy. (2007) (44)
- Ammonia Synthesis from First-Principles Calculations. (2005) (44)
- The reaction rate for dissociative adsorption of N2 on stepped Ru(0001): six-dimensional quantum calculations. (2005) (43)
- Tailoring oxide properties: An impact on adsorption characteristics of molecules and metals (2014) (42)
- Adsorption of gold clusters on metal-supported MgO: Correlation to electron affinity of gold (2007) (41)
- Reactive and nonreactive scattering of N2 from Ru(0001): a six-dimensional adiabatic study. (2006) (41)
- Water and carbon oxides on monoclinic zirconia: experimental and computational insights. (2014) (40)
- ZrO2 Acting as a Redox Catalyst (2016) (39)
- Unraveling the Role of the Rh–ZrO2 Interface in the Water–Gas-Shift Reaction via a First-Principles Microkinetic Study (2018) (39)
- Including lateral interactions into microkinetic models of catalytic reactions. (2007) (39)
- Catalytic oxidation of CO on Pd(111) (2002) (37)
- Formation of gold(I) edge oxide at flat gold nanoclusters on an ultrathin MgO film under ambient conditions. (2010) (36)
- Coadsorption of NRR and HER intermediates determines the performance of Ru-N4 towards electrocatalytic N2 reduction (2022) (34)
- The redox chemistry of gold with high-valence doped calcium oxide. (2013) (33)
- Water Dissociation on MgO/Ag(100): Support Induced Stabilization or Electron Pairing? (2010) (33)
- First-principles calculations of the initial incorporation of carbon into flat and stepped Pd surfaces (2010) (31)
- Spectroscopic link between adsorption site occupation and local surface chemical reactivity. (2004) (31)
- Insights into ammonia synthesis from first-principles (2006) (30)
- Coadsorption of CO and NO on the Pd(111) surface: combined ab initio and Monte Carlo study. (2001) (29)
- Thiolate adsorption on Au(hkl) and equilibrium shape of large thiolate-covered gold nanoparticles. (2013) (29)
- Pd-catalyzed hydrodehalogenation of chlorinated olefins: Theoretical insights to the reaction mechanism (2012) (29)
- Adsorption and activation of O(2) at Au chains on MgO/Mo thin films. (2010) (27)
- First Principles Calculations for Hydrogenation of Acrolein on Pd and Pt: Chemoselectivity Depends on Steric Effects on the Surface. (2016) (27)
- DFT study on complete ethylene decomposition on flat and stepped Pd (2010) (27)
- Atomic Layer Deposition of Aluminum Oxide on TiO2 and Its Impact on N3 Dye Adsorption from First Principles (2011) (26)
- First principles investigations of Pd-on-Au nanostructures for trichloroethene catalytic removal from groundwater. (2011) (19)
- Adsorption and Activation of Water on Cuboctahedral Rhodium and Platinum Nanoparticles (2017) (19)
- A Density Functional Theory study on gold cyanide interactions: The fundamentals of ore cleaning (2010) (17)
- Ammonia Synthesis: State of the Bellwether Reaction (2001) (16)
- Towards Atomically Precise Supported Catalysts from Monolayer‐Protected Clusters: The Critical Role of the Support (2020) (15)
- Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters. (2019) (14)
- Intrinsic Metal Size Effect on Adsorption of Organic Molecules on Platinum (2008) (14)
- Oxidative dehydrogenation of ethanol on gold: Combination of kinetic experiments and computation approach to unravel the reaction mechanism (2020) (14)
- DFT Prediction of Enhanced Reducibility of Monoclinic Zirconia upon Rhodium Deposition (2018) (14)
- Orbiting orbitals: visualization of vibronic motion at a conical intersection. (2013) (13)
- Molecularly chemisorbed intermediate state to oxygen adsorption on Pd{1 1 0} (2003) (13)
- Understanding Structure and Stability of Monoclinic Zirconia Surfaces from First-Principles Calculations (2017) (12)
- Pd/C-Catalyzed Hydrosilylation of Enals and Enones with Triethylsilane: Conformer Populations Control the Stereoselectivity (2017) (9)
- Screening the bulk properties and reducibility of Fe-doped Mn2O3 from first principles calculations (2017) (9)
- Computational study of linear carbon chains on gold and silver surfaces (2012) (9)
- Expanding and Reducing Complexity in Materials Science Models with Relevance in Catalysis and Energy (2014) (9)
- Globally Optimized Equilibrium Shapes of Zirconia-Supported Rh and Pt Nanoclusters: Insights into Site Assembly and Reactivity (2019) (8)
- CATALYTIC ACTIVITY OF PALLADIUM-BASED NANOSTRUCTURES IN THE CONVERSION OF SIMPLE OLEFINIC HYDRO- AND CHLOROHYDROCARBONS FROM FIRST PRINCIPLES (2011) (8)
- Mechanism of Trichloroethene Hydrodehalogenation: A First-Principles Kinetic Monte Carlo Study (2014) (7)
- Some new aspects of high-Tc superconductors : Chemical equilibrium (1997) (6)
- On the Mechanistic Origins of the pH-Dependency in Au-Catalyzed Glycerol Electro-Oxidation: Insight from First Principles Calculations (2021) (6)
- Effect of atomic layer deposited zinc promoter on the activity of copper-on-zirconia catalysts in the hydrogenation of carbon dioxide to methanol (2022) (6)
- Adsorbate-Induced Oxygen Vacancy Mobility in Ultrathin Oxide Films (2013) (6)
- Gold/Isophorone Interaction Driven by Keto/Enol Tautomerization (2016) (5)
- First-principles insight into CO hindered agglomeration of Rh and Pt single atoms on ZrO2 (2020) (5)
- Addressing Dynamics at Catalytic Heterogeneous Interfaces with DFT-MD: Anomalous Temperature Distributions from Commonly Used Thermostats (2022) (5)
- Computational Screening of Doped Graphene Electrodes for Alkaline CO2 Reduction (2020) (5)
- The effect of surface relaxation on the N2 dissociation rate on stepped Ru: a transition state theory study. (2006) (4)
- Gold assisted oxygen dissociation on a molybdenum-doped CaO(001) surface (2016) (3)
- Computational Study of Adsorption of CO2, SO2, and H2CO on Free-Standing and Molybdenum-Supported CaO Films (2018) (3)
- Isophorone on Au/MgO/Ag(001) : Physisorption with Electrostatic Site Selection (2017) (3)
- Dynamics of weak interactions in the ligand layer of meta-mercaptobenzoic acid protected gold nanoclusters Au68(m-MBA)32 and Au144(m-MBA)40. (2020) (3)
- Reducing the irreducible: Dispersed metal atoms facilitate reduction of irreducible oxides. (2021) (3)
- Constant inner potential DFT for modelling electrochemical systems under constant potential and bias (2021) (3)
- Electronic and vibrational properties of meso-tetraphenylporphyrin on silver substrates. (2014) (3)
- Dissociative adsorption of water on Au/MgO/Ag(001) from first principles calculations (2015) (3)
- Selective Acrolein Hydrogenation over Ligand-Protected Gold Clusters: A Venus Flytrap Mechanism (2022) (2)
- Kinetic Modeling of Ethyl Benzoylformate Enantioselective Hydrogenation over Pt/Al2O3 (2014) (2)
- Influence of a Cu-zirconia interface structure on CO2 adsorption and activation. (2021) (2)
- Ligand assisted hydrogenation of levulinic acid on Pt(111) from first principles calculations (2021) (1)
- Hall-coefficient scaling and chemical equilibrium above Tc (1996) (1)
- Racemization of Secondary‐Amine‐Containing Natural Products Using Heterogeneous Metal Catalysts (2018) (1)
- The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2 (2023) (1)
- Structure and dynamics of CaO films: A computational study of an effect of external static electric field (2017) (1)
- Chemoselective heterogeneous iridium catalyzed hydrogenation of cinnamalaniline (2021) (0)
- Cover Feature: Towards Atomically Precise Supported Catalysts from Monolayer‐Protected Clusters: The Critical Role of the Support (Chem. Eur. J. 31/2020) (2020) (0)
- Cations determine the mechanism and selectivity of alkaline ORR on Pt(111) (2022) (0)
- Binding Behavior of Carbonmonoxide to Gold Atoms on Ag(001) (2020) (0)
- Redox Chemistry of a Lewis Acid on High-valence Doped CaO (2013) (0)
- Surface Science Letters Molecularly chemisorbed intermediate state to oxygen adsorption on Pd{1 1 0} (2003) (0)
- Reox As a Bronsted Acidic Modifier in Glycerol Hydrodeoxygenation: Computational Insight into the Balance between Acid and Metal Catalysis (2023) (0)
- Catalysis in Finland : an exciting pathway (2013) (0)
- Title : Review : monoclinic zirconia , its surface sites and their interaction with carbon monoxide Year : 2015 Version : Final published version (2015) (0)
- A Spectroscopic Link between Surface Structure and Local Chemical Reactivity (2004) (0)
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