Marko Melander

General description

My research focuses on understanding what controls electrochemical energy conversion and storage from the atomic scale. This is the key question in all electrochemical technologies ranging from hydrogen production through water splitting to green electricity generation using fuel cells, CO2-to-chemicals concepts, sustainable ammonia production for fertilizers and fuels, and various other applications.

To answer this question, we develop and apply theoretical and computational method to address electrochemical processes at different  time- and length-scales. We are developing combining constant potential density functional theory, rate theory, model Hamiltonian approaches, and multiscale methods: combining these methods allows us to study electrochemical systems under realistic experimental conditions from the atomic level to reactor scales. These tools are then applied to understand and find better materials for electrocatalytic applications in hydrogen production and CO2 conversion, the oxygen reduction reaction in fuel cells, and glycerol oxidation to valueable chemicals. Besides applications in green processes, we also study the basics of electrochemical systems such as electrode potential, solvent and electrolyte effects, (proton-coupled) electron transfer kinetics and thermodynamics, and reaction mechanims at electrochemical interfaces. 

I am currently an Academy of Finland Research Fellow at the Department of Chemistry and the Nanoscience Center. I also hold a docenture (Adjunt professorship) in physical electrochemistry.

Active JYU affiliations

Research interests

Electrocatalysis: Hydrogen production, oxygen reduction, CO2 reduction, ammonia production
Electrochemistry: Solvent and electrolyte effects, outer-sphere electron transfer, non-adiabatic effects
Theory and simulation: Computational methods for electrochemical interfaces, solid-liquid interfaces, nuclear tunnelling, non-adiabatic effects

Fields of science

Follow-up groups

Personal keywords

Electrocatalysis, electrochemistry, computational chemistry, physical chemistry

Keywords (YSO)

Projects as Principal investigator

Publications and other outputs

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Last updated on 2023-28-09 at 13:25