Computational and theoretical electrochemistry

Table of contents

Research group type
Research group
Core fields of research
Basic natural phenomena and mathematical thinking
Research areas
Sustainable society
Chemical Nanoscience
Circular Economy
Nanoscience Center
Faculty
Faculty of Mathematics and Science
Department
Department of Chemistry

Research group description

The computational and theoretical electrochemistry groups works between fundamental and applied electrochemistry. We develop theory and methods to understand electrochemical interfaces and reactions with various applications in fundamental and applied electrochemistry.  Currently, we are working on four main topics.

1) Theory and computational methods for electrochemical interfaces, dynamics, and (proton-coupled) electron transfer reactions
2) Understanding the impact of reaction conditions, such as pH, electrolyte, and electrode potential, on electrochemical reactions
3)Applications in electrochemical energy conversion and storage}: hydrogen evolution, water splitting splitting, and carbon dioxide and oxygen reduction reactions
4) Computational spectroscopy of solid-liquid and solid-gas interfaces
 

Publications

Publication
2023
Available through Open Access

Nature Communications
Qin, Xueping
Hansen, Heine A.
Honkala, Karoliina
Melander, Marko M.
Publication
2023
Available through Open Access

Angewandte Chemie
Kumeda, Tomoaki
Laverdure, Laura
Honkala, Karoliina
Melander, Marko M.
Sakaushi, Ken
Publication
2023
Available through Open Access

ACS Catalysis
López-Estrada, Omar
Mammen, Nisha
Laverdure, Laura
Melander, Marko M.
Häkkinen, Hannu
Honkala, Karoliina
Publication
2023
Available through Open Access

Electrochimica Acta
Melander, Marko M.
Publication
2023
Available through Open Access

Current Opinion in Electrochemistry
Wu, Tongwei
Melander, Marko M.
Honkala, Karoliina
Publication
2022
Available through Open Access

Journal of Physical Chemistry Letters
Korpelin, Ville
Kiljunen, Toni
Melander, Marko M.
Caro, Miguel A.
Kristoffersen, Henrik H.
Mammen, Nisha
Apaja, Vesa
Honkala, Karoliina
Publication
2022
Available through Open Access

ACS Catalysis
Wu, Tongwei
Melander, Marko M.
Honkala, Karoliina
Publication
2022
Available through Open Access

Current Opinion in Electrochemistry
Domínguez-Flores, Fabiola
Melander, Marko M.

Research group