Rasmus Kronberg
Rasmus completed his M.Sc. degree in 2018 in the Computational Chemistry research group at Aalto University. The title of his thesis was "Ab initio molecular dynamics simulation of the platinum–water interface: Insights into structure and electrocatalytic properties". In his doctoral thesis project, Rasmus continues modelling electrochemical interfaces and reactions using dynamic methods based on density functional theory.
Full researcher profile
https://research.aalto.fi/...
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Publikationer
Dynamics of Electrified Interfaces and Hydrogen Evolution from Density Functional Theory
Rasmus Kronberg
2022
Dynamics and Surface Propensity of H⁺ and OH⁻ within Rigid Interfacial Water: Implications for Electrocatalysis
Rasmus Kronberg, Kari Laasonen
2021
Journal of Physical Chemistry Letters
Hydrogen Adsorption on Defective Nitrogen-Doped Carbon Nanotubes Explained via Machine Learning Augmented DFT Calculations and Game-Theoretic Feature Attributions
Rasmus Kronberg, Heikki Lappalainen, Kari Laasonen
2021
Journal of Physical Chemistry C
Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations
Rasmus Kronberg, Kari Laasonen
2021
ACS Catalysis
Active site manipulation in MoS2 cluster electrocatalysts by transition metal doping
Jo J. L. Humphrey, Rasmus Kronberg, Rongsheng Cai, Kari Laasonen, Richard E. Palmer, Andrew J. Wain.
2020
Nanoscale
Coupling Surface Coverage and Electrostatic Effects on the Interfacial Adlayer–Water Structure of Hydrogenated Single-Crystal Platinum Electrodes
Rasmus Kronberg, Kari Laasonen
2020
Journal of Physical Chemistry C
Revisiting the Volmer–Heyrovský mechanism of hydrogen evolution on a nitrogen doped carbon nanotube: constrained molecular dynamics versus the nudged elastic band method
Rasmus Kronberg, Heikki Lappalainen, Kari Laasonen
2020
Physical Chemistry Chemical Physics
A Platinum Nanowire Electrocatalyst on Single-walled Carbon Nanotubes to Drive Hydrogen Evolution
Taneli Rajala, Rasmus Kronberg, R Backhouse, Marthe Emelie Melandsø Buan, M Tripathi, Andrea Zitolo, Hua Jiang, Kari Laasonen, Toma Susi, Frederic Jaouen, Tanja Kallio
2020
Applied Catalysis B: Environmental
Experimental and Computational Investigation of Hydrogen Evolution Reaction Mechanism on Nitrogen Functionalized Carbon Nanotubes
Sami Tuomi, Olli J. Pakkanen, Maryam Borghei, Rasmus Kronberg, Jani Sainio, Esko I. Kauppinen, Albert G. Nasibulin, Kari Laasonen, Tanja Kallio
2018
ChemCatChem
Hydrogen adsorption on doped MoS2 nanostructures
Mikko Hakala, Rasmus Kronberg, Kari Laasonen
2017
Scientific Reports