Electrocatalysis

The Chan group is focussed on the fundamental mechanistic understanding of electrochemical processes with applications in sustainable energy conversion and storage and fuel and fertilizer production, e.g. hydrogen and oxygen redox reactions, CO(2) reduction, and alcohol electro-oxidation.  Our approach revolves around four interconnected themes: (a) methods for the accelerated determination of the structure and reaction energetics at electrochemical interfaces, (b) mechanistic analysis using state-of-the-art ab initio approaches (c) coupled transport, kinetic, and double layer models of high surface area, nanostructured electrodes (d) computational screening for active and selective catalysts using the descriptors that emerge from fundamental mechanistic studies. 

Google Scholar Profile for Karen Chan

Selected publications:

E.R. Cave, C. Shi, K.P. Kuhl, T. Hatsukade, D.N. Abram, C. Hahn, K. Chan, TF Jaramillo, Trends in the Catalytic Activity of Hydrogen Evolution during CO2 Electroreduction on Transition Metals, ACS Catalysis, 8 (4), 3035-3040, 2018.

M. Fields, X. Hong, J. K. Nørskov, K. Chan, The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction, J. Phys. Chem. C, 2018

M. Tang, Z.W. Ulissi, K. Chan, Theoretical Investigations of Transition-Metal Surface Energies Under Lattice Strain and CO Environment, J. Phys. Chem. C, 2018.

L. Chen, M. Bajdich, C. Krauter, J. Martirez, E. Carter, A. Luntz, K. Chan, J. Nørskov, Under- standing the apparent fractional charge of ions in the aqueous electrochemical double layer. Nature Communications, 9(1), 3202, 2018

C. Kirk, L.D Chen, S. Siahrostami, M. Karamad, M. Bajdich, J. Voss, J. Nørskov, K. Chan, The- oretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene.ACS Central Science, 3 (12), pp 1286–1293, 2017

K. Jiang, R. Sandberg, A.J. Akey, X. Liu, D.C. Bell, J. Nørskov, K. Chan, H. Wang. Metal ion Cycling of Cu Foil for Selective C-C coupling in Electrochemical CO2 Reduction. Nature Catalysis, 1(2), 111, 2018

J. Resasco, L. Chen, E. Clark, C. Hahn, T. Jaramillo, K. Chan, A. Bell, Promoter effects of alkali metal cations on the electrochemical reduction of carbon dioxide, J. Am. Chem. Soc., 139(32), 11277-11287, 2017

X. Liu, J. Xiao, H. Peng, X. Hong, K. Chan, J. Nørskov, Understanding trends in electrochemical COreduction rates, Nature Communications, 8, 15438, 2017.

K. Chan, J. K. Nørskov, Potential Dependence of Electrochemical Barriers in Ab Initio Calculations, J. Phys. Chem. Lett., 8, 1686-1690, 2016.

K. Chan, J. K. Nørskov, Electrochemical barriers made simple. J. Phys. Chem. Lett. 6, 2663, 2015.

 

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Karen Chan
Associate Professor
DTU Physics

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Hendrik H. Heenen
Postdoc
DTU Physics

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Sudarshan Vijay
PhD student
DTU Physics