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Chemistry Department
Aalto University

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Employment (1)

Aalto-yliopisto: Aalto, FI

2010-01-09 to present (Department of Chemistry)
Employment
Source: Self-asserted source
Kari Laasonen

Education and qualifications (1)

University of Helsinki: Helsinki, FI

1988-09-01 | M.Sc (Department of Theoretical Physics)
Education
Source: Self-asserted source
Kari Laasonen

Works (46)

Allylic Hydrogen Acidity of 1-Butene Derivatives Coordinated to Transition Metals─A Mechanistic Insight Including Carbonyl–Olefin Metathesis

Inorganic Chemistry
2025-02-25 | Journal article
DOI: 10.1021/acs.inorgchem.4c05297
Contributors: Kaveh Farshadfar; Zonghang Song; Kari Laasonen
Source: check_circle
Crossref

Ab initio molecular dynamics investigation of the Pt(111)–water interface structure in an alkaline environment with high surface OH-coverages

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D4CP01100G
Contributors: Lauri Partanen; Kari Laasonen
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Crossref

Modelling the growth reaction pathways of zincone ALD/MLD hybrid thin films: a DFT study

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D4CP00249K
Contributors: Mario Mäkinen; Timo Weckman; Kari Laasonen
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Crossref

Comparison of the Efficiency of B–O and B–C Bond Formation Pathways in Borane-Catalyzed Carbene Transfer Reactions Using α-Diazocarbonyl Precursors: A Combined Density Functional Theory and Machine Learning Study

ACS Catalysis
2024-10-04 | Journal article
DOI: 10.1021/acscatal.4c03368
Contributors: Kaveh Farshadfar; Kari Laasonen
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Crossref

Aliphatic Ketone Claisen Rearrangement: Troubleshooting the Transetherification Step by Identifying a Stable Acid Catalyst

Chemistry – A European Journal
2024-09-19 | Journal article
DOI: 10.1002/chem.202402371
Contributors: Veera K. Bruce; Kaveh Farshadfar; Aino Rolig; Kari Laasonen; Petri M. Pihko
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Crossref

Ion‐Specific Effects on Ion and Polyelectrolyte Solvation

ChemPhysChem
2024-08 | Journal article
DOI: 10.1002/cphc.202400244
Contributors: Tuuva Kastinen; Piotr Batys; Dmitry Tolmachev; Kari Laasonen; Maria Sammalkorpi
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Crossref

Molecular Electrochemical Catalysis of CO-to-Formaldehyde Conversion with a Cobalt Complex

Journal of the American Chemical Society
2024-08-14 | Journal article
DOI: 10.1021/jacs.4c06878
Contributors: Ajeet Singh; Afridi Zamader; Reza Khakpour; Kari Laasonen; Michael Busch; Marc Robert
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Crossref

Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials

The Journal of Physical Chemistry C
2024-07-25 | Journal article
DOI: 10.1021/acs.jpcc.4c00960
Contributors: Laura Bonometti; Loredana E. Daga; Riccardo Rocca; Naiara L. Marana; Silvia Casassa; Maddalena D’Amore; Kari Laasonen; Martin Petit; Fabrizio Silveri; Mauro F. Sgroi et al.
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Exploration of Vitamin B6‐Based Redox‐Active Pyridinium Salts Towards the Application in Aqueous Organic Flow Batteries

Chemistry – A European Journal
2024-06-25 | Journal article
DOI: 10.1002/chem.202400828
Contributors: Anton A. Nechaev; Gabriel Gonzalez; Prachi Verma; Vsevolod A. Peshkov; Anton Bannykh; Arsalan Hashemi; Jenna Hannonen; Andrea Hamza; Imre Pápai; Kari Laasonen et al.
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Mechanism of CO2 Electroreduction to Multicarbon Products over Iron Phthalocyanine Single-Atom Catalysts

The Journal of Physical Chemistry C
2024-04-11 | Journal article
DOI: 10.1021/acs.jpcc.3c08347
Contributors: Reza Khakpour; Kaveh Farshadfar; Si-Thanh Dong; Benedikt Lassalle-Kaiser; Kari Laasonen; Michael Busch
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Crossref

DFT Mechanistic Investigation into Ni(II)-Catalyzed Hydroxylation of Benzene to Phenol by H2O2

Inorganic Chemistry
2024-03-25 | Journal article
DOI: 10.1021/acs.inorgchem.3c04461
Contributors: Kaveh Farshadfar; Kari Laasonen
Source: check_circle
Crossref

Kinetics of N2 Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study

ACS Omega
2024-01-09 | Journal article
DOI: 10.1021/acsomega.3c07367
Contributors: Kaveh Farshadfar; Arsalan Hashemi; Reza Khakpour; Kari Laasonen
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Density functional theory and machine learning for electrochemical square-scheme prediction: an application to quinone-type molecules relevant to redox flow batteries

Digital Discovery
2023 | Journal article
DOI: 10.1039/D3DD00091E
Contributors: Arsalan Hashemi; Reza Khakpour; Amir Mahdian; Michael Busch; Pekka Peljo; Kari Laasonen
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Crossref

Density functional theory study of trends in water dissociation on oxygen-preadsorbed and pure transition metal surfaces

Surface Science
2023-08 | Journal article
DOI: 10.1016/j.susc.2023.122305
Contributors: Mario Mäkinen; Kari Laasonen
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Understanding Electron Transfer Reactions Using Constrained Density Functional Theory: Complications Due to Surface Interactions

The Journal of Physical Chemistry C
2023-02-23 | Journal article
DOI: 10.1021/acs.jpcc.2c06537
Contributors: Arsalan Hashemi; Pekka Peljo; Kari Laasonen
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Temperature-Controlled Syngas Production via Electrochemical CO2 Reduction on a CoTPP/MWCNT Composite in a Flow Cell

ACS Applied Energy Materials
2023-01-09 | Journal article
DOI: 10.1021/acsaem.2c02873
Contributors: M. Noor Hossain; Reza Khakpour; Michael Busch; Milla Suominen; Kari Laasonen; Tanja Kallio
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Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426

Nanoscale
2022 | Journal article
DOI: 10.1039/D2NR01763F
Contributors: Jan Kloppenburg; Andreas Pedersen; Kari Laasonen; Miguel A. Caro; Hannes Jónsson
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Crossref

Universal Trends between Acid Dissociation Constants in Protic and Aprotic Solvents

Chemistry – A European Journal
2022-10-21 | Journal article
DOI: 10.1002/chem.202201667
Contributors: Michael Busch; Elisabet Ahlberg; Kari Laasonen
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Crossref

How to Predict the pKa of Any Compound in Any Solvent

ACS Omega
2022-05-24 | Journal article
DOI: 10.1021/acsomega.2c01393
Contributors: Michael Busch; Ernst Ahlberg; Elisabet Ahlberg; Kari Laasonen
Source: check_circle
Crossref

From absolute potentials to a generalized computational standard hydrogen electrode for aqueous and non-aqueous solvents

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/D1CP00499A
Contributors: Michael Busch; Elisabet Ahlberg; Kari Laasonen
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Crossref

Hydrogen adsorption trends on two metal-doped Ni2P surfaces for optimal catalyst design

Physical Chemistry Chemical Physics
2021 | Journal article
DOI: 10.1039/D1CP00684C
Contributors: Lauri Partanen; Simon Alberti; Kari Laasonen
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Dynamics and Surface Propensity of H+ and OH– within Rigid Interfacial Water: Implications for Electrocatalysis

The Journal of Physical Chemistry Letters
2021-10-21 | Journal article
DOI: 10.1021/acs.jpclett.1c02493
Contributors: Rasmus Kronberg; Kari Laasonen
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Hydrogen Adsorption on Defective Nitrogen-Doped Carbon Nanotubes Explained via Machine Learning Augmented DFT Calculations and Game-Theoretic Feature Attributions

The Journal of Physical Chemistry C
2021-07-29 | Journal article
DOI: 10.1021/acs.jpcc.1c03858
Contributors: Rasmus Kronberg; Heikki Lappalainen; Kari Laasonen
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Crossref

Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations

ACS Catalysis
2021-07-02 | Journal article
DOI: 10.1021/acscatal.1c00538
Contributors: Rasmus Kronberg; Kari Laasonen
Source: check_circle
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Active site manipulation in MoS2 cluster electrocatalysts by transition metal doping

Nanoscale
2020 | Journal article
DOI: 10.1039/C9NR10702A
Contributors: Jo J. L. Humphrey; Rasmus Kronberg; Rongsheng Cai; Kari Laasonen; Richard E. Palmer; Andrew J. Wain
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Crossref

Method for the accurate prediction of electron transfer potentials using an effective absolute potential

Physical Chemistry Chemical Physics
2020 | Journal article
DOI: 10.1039/D0CP04508J
Contributors: Michael Busch; Kari Laasonen; Elisabet Ahlberg
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Crossref

Revisiting the Volmer–Heyrovský mechanism of hydrogen evolution on a nitrogen doped carbon nanotube: constrained molecular dynamics versus the nudged elastic band method

Physical Chemistry Chemical Physics
2020 | Journal article
DOI: 10.1039/C9CP06474E
Contributors: Rasmus Kronberg; Heikki Lappalainen; Kari Laasonen
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Crossref

Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism

Topics in Catalysis
2020-09-29 | Journal article
DOI: 10.1007/s11244-020-01334-8
Contributors: Matthias Vandichel; Kari Laasonen; Ivan Kondov
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Coupling Surface Coverage and Electrostatic Effects on the Interfacial Adlayer–Water Structure of Hydrogenated Single-Crystal Platinum Electrodes

The Journal of Physical Chemistry C
2020-06-25 | Journal article
DOI: 10.1021/acs.jpcc.0c02323
Contributors: Rasmus Kronberg; Kari Laasonen
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Oxygen Evolution on Metal‐oxy‐hydroxides: Beneficial Role of Mixing Fe, Co, Ni Explained via Bifunctional Edge/acceptor Route

ChemCatChem
2020-03-06 | Journal article
DOI: 10.1002/cctc.201901951
Contributors: Matthias Vandichel; Michael Busch; Kari Laasonen
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Crossref

Hydrogen adsorption trends on various metal-doped Ni2P surfaces for optimal catalyst design

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/C8CP06143B
Contributors: Lauri Partanen; Mikko Hakala; Kari Laasonen
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Crossref

Hydrogen Evolution Reaction on the Single-Shell Carbon-Encapsulated Iron Nanoparticle: A Density Functional Theory Insight

The Journal of Physical Chemistry C
2019-06-06 | Journal article
DOI: 10.1021/acs.jpcc.9b01041
Contributors: Geraldine Cilpa-Karhu; Olli J. Pakkanen; Kari Laasonen
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Pushing the limit of Cs incorporation into FAPbBr3 perovskite to enhance solar cells performances

APL Materials
2019-04 | Journal article
DOI: 10.1063/1.5087246
Contributors: Albertus A. Sutanto; Valentin I. E. Queloz; Inés Garcia-Benito; Kari Laasonen; Berend Smit; Mohammad Khaja Nazeeruddin; Olga A. Syzgantseva; Giulia Grancini
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Atomistic simulations of early stage clusters in Al Mg alloys

Acta Materialia
2019-03 | Journal article
DOI: 10.1016/j.actamat.2018.12.050
Contributors: David Kleiven; Olve L. Ødegård; Kari Laasonen; Jaakko Akola
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Computational exploration of Fe55@C240-catalyzed Fischer–Tropsch synthesis

Physical Chemistry Chemical Physics
2018 | Journal article
DOI: 10.1039/C7CP06473J
Contributors: Geraldine Cilpa-Karhu; Kari Laasonen
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Hydrogen adsorption trends on Al-doped Ni2P surfaces for optimal catalyst design

Physical Chemistry Chemical Physics
2018 | Journal article
DOI: 10.1039/C8CP00927A
Contributors: Mikko Hakala; Kari Laasonen
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Kinetic Monte Carlo Study of the Atomic Layer Deposition of Zinc Oxide

The Journal of Physical Chemistry C
2018-11-29 | Journal article
DOI: 10.1021/acs.jpcc.8b06909
Contributors: Timo Weckman; Mahdi Shirazi; Simon D. Elliott; Kari Laasonen
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Oxygen Evolution Reaction on Nitrogen-Doped Defective Carbon Nanotubes and Graphene

The Journal of Physical Chemistry C
2018-11-15 | Journal article
DOI: 10.1021/acs.jpcc.8b08519
Contributors: Garold Murdachaew; Kari Laasonen
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Diabatic model for electrochemical hydrogen evolution based on constrained DFT configuration interaction

The Journal of Chemical Physics
2018-09-14 | Journal article
DOI: 10.1063/1.5038959
Contributors: Nico Holmberg; Kari Laasonen
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Oxygen Evolution Reaction Kinetic Barriers on Nitrogen-Doped Carbon Nanotubes

The Journal of Physical Chemistry C
2018-06-21 | Journal article
DOI: 10.1021/acs.jpcc.8b03269
Contributors: Lauri Partanen; Garold Murdachaew; Kari Laasonen
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Atomic Layer Deposition of Zinc Oxide: Study on the Water Pulse Reactions from First-Principles

The Journal of Physical Chemistry C
2018-04-12 | Journal article
DOI: 10.1021/acs.jpcc.7b11469
Contributors: Timo Weckman; Kari Laasonen
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Hydrogen adsorption on MoS2-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage

Physical Chemistry Chemical Physics
2017 | Journal article
DOI: 10.1039/C7CP03068A
Contributors: Rasmus Kronberg; Mikko Hakala; Nico Holmberg; Kari Laasonen
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Functionalized Carbon Nanotubes with Ni(II) Bipyridine Complexes as Efficient Catalysts for the Alkaline Oxygen Evolution Reaction

ACS Catalysis
2017-12-01 | Journal article
DOI: 10.1021/acscatal.7b02878
Contributors: Mohammad Tavakkoli; Magdalena Nosek; Jani Sainio; Fatemeh Davodi; Tanja Kallio; Pekka M Joensuu; Kari Laasonen
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Crossref

Hydrogen adsorption on doped MoS2 nanostructures

Scientific Reports
2017-11-10 | Journal article
DOI: 10.1038/s41598-017-15622-z
Contributors: Mikko Hakala; Rasmus Kronberg; Kari Laasonen
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Crossref

Catalytic Activity of AuCu Clusters on MgO(100): Effect of Alloy Composition for CO Oxidation

The Journal of Physical Chemistry C
2017-05-25 | Journal article
DOI: 10.1021/acs.jpcc.6b12054
Contributors: Li Ma; Kari Laasonen; Jaakko Akola
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Electrochemical Activation of Single-Walled Carbon Nanotubes with Pseudo-Atomic-Scale Platinum for the Hydrogen Evolution Reaction

ACS Catalysis
2017-05-05 | Journal article
DOI: 10.1021/acscatal.7b00199
Contributors: Mohammad Tavakkoli; Nico Holmberg; Rasmus Kronberg; Hua Jiang; Jani Sainio; Esko I. Kauppinen; Tanja Kallio; Kari Laasonen
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Peer review (89 reviews for 34 publications/grants)

Review activity for ACS applied energy materials. (5)
Review activity for ACS applied materials & interfaces. (4)
Review activity for ACS applied nano materials. (1)
Review activity for ACS catalysis. (10)
Review activity for ACS energy letters. (2)
Review activity for Advanced functional materials. (1)
Review activity for Advanced materials. (2)
Review activity for Angewandte Chemie. (2)
Review activity for Applied catalysis. (2)
Review activity for ChemCatChem (3)
Review activity for Chemical physics letters (1)
Review activity for Chemical reviews. (1)
Review activity for Chemistry of materials. (2)
Review activity for ChemPhysChem. (1)
Review activity for Current opinion in electrochemistry. (1)
Review activity for Energy & fuels. (1)
Review activity for Energy technology. (1)
Review activity for International journal of hydrogen energy. (2)
Review activity for Journal of chemical physics. (8)
Review activity for Journal of chemical theory and computation : (3)
Review activity for Journal of electroanalytical chemistry. (2)
Review activity for Journal of materials science. (1)
Review activity for Journal of physical chemistry. (12)
Review activity for Journal of the American Chemical Society. (4)
Review activity for Langmuir : (3)
Review activity for Monatshefte für Chemie. (1)
Review activity for Nano letters. (1)
Review activity for Nature Catalysis. (2)
Review activity for Nature communications (5)
Review activity for Nature energy. (1)
Review activity for Surface science. (1)
Review activity for Sustainable materials and technologies. (1)
Review activity for The journal of physical chemistry letters. (1)
Review activity for The journal of physical chemistry. (1)
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