Georg Kastlunger

Assistant professor

Technical University of Denmark

Denmark

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About

Georg Kastlunger is an Assistant Professor at the Technical University of Denmark. His research focuses on computational electrochemistry, particularly in the areas of reaction mechanisms of CO2 electrolysis and electrocatalysis. Recent publications include studies on molecular dynamics, electrosynthesis of amino acids from biomass, and the effects of field dynamics on electrochemical processes. He is actively contributing to advancements in understanding electrochemical reactions and optimizing catalysts for sustainable applications.

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2022

Collaborators (19)

Joseph A. Gauthier

UNITED STATES

Georg Kastlunger

Research Interests

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About

Articles (24)

A Perspective on the Reaction Mechanisms of CO2 Electrolysis

Bridging Outer- and Inner-Sphere Electrosynthesis from Biomass-Derived Furfural Using Single Atom Catalysts

Selective glycerol to lactic acid conversion via a tandem effect between platinum and metal oxides with abundant acid groups

The Intricacies of Computational Electrochemistry

First-Principles Molecular Dynamics with Potential and Charge Fluctuations Applied to Au(111) in Alkaline Solutions

Direct Electrosynthesis of an Amino Acid from a Biomass Derivative

Non-Nernstian Effects in Theoretical Electrocatalysis

Electrocatalysis beyond the reversible hydrogen electrode

Field effects explain the unintuitive potential response of electrochemical oxygen evolution in acid

Benchmarking water adsorption on metal surfaces with ab initio molecular dynamics

On the Thermodynamic Equivalence of Grand Canonical, Infinite‐Size, and Capacitor‐Based Models in First‐Principle Electrochemistry

Unraveling the rate-determining step of C2+ products during electrochemical CO reduction

On the Role of Cu+ and CuNi Alloy Phases in Mesoporous CuNi Catalyst for Furfural Hydrogenation

Solvation of furfural at metal–water interfaces: Implications for aqueous phase hydrogenation reactions

Mechanistic Insights into Aldehyde Production from Electrochemical CO2 Reduction on CuAg Alloy via Operando X-ray Measurements

Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction

Unraveling the reaction mechanisms for furfural electroreduction on copper

Fundamental Drivers of Electrochemical Barriers

Controlled Electrochemical Barrier Calculations without Potential Control

Electrochemistry from the atomic scale, in the electronically grand-canonical ensemble

Force-Based Method to Determine the Potential Dependence in Electrochemical Barriers

Limits to scaling relations between adsorption energies?

Computational Screening of Single and Di-Atom Catalysts for Electrochemical CO2 Reduction

Transients in Electrochemical CO Reduction Explained by Mass Transport of Buffers

Collaborators (19)

Joseph A. Gauthier

ANG CAO

Ceri Hammond

Wenting Fang

Jakob Ejler Sørensen

Leonhard Schill

Nitish Govindarajan

Joseph Perryman

Arghya Bhowmik

Ifan Stephens

Heine Anton Hansen

Anders Riisager

Hector Prats Garcia

Brian Seger

Alexander Bagger

Ivo Filot

Jakob Kibsgaard

Sarah Haigh

Karen Chan

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