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Egill Skúlason - Professor
–
School of Engineering and Natural Sciences
Egill Skúlason
Íslenska
Professor
Location
VR-3 / V03-217
Phone
525 - 4684
6948683
Email
egillsk [at] hi.is
Unit
Faculty of Industrial Engineering, Mechanical Engineering and Computer Science
Published Work
Egill Skúlason - published work
Curriculum Vitae
Egill Skúlason - Curriculum Vitae
ORCID site
https://orcid.org/0000-0002-0724-680X
Research portal – Egill Skúlason
Courses 2024 - 2025
EVF602M - Reaction Design
EVF202F - Reaction Design
EVF302G - Physical Chemistry for Engineers
EVF501G - Seminar in Chemical Engineering
Education
2009
,
Ph.D.
,
Technical University of Denmark
,
Engineering Physics
2005
,
M.Sc.
,
University of Iceland
,
Computational Chemistry
2003
,
B.Sc
,
University of Iceland
,
Chemistry
2003
,
B.Sc
,
University of Iceland
,
Biochemistry
Professional Experience
2016 -
,
Professor,
University of Iceland
2012 -
,
Titled Engineer,
Ministry of Industry and Innovation Iceland
2014 -
2016,
Associate Professor,
University of Iceland
2013 -
2014,
Assistant Professor,
University of Iceland
2010 -
2013,
Research Assistant Professor (Sérfræðingur),
Science Institute
2011 -
2013,
Adjunct,
University of Iceland
2009 -
2010,
Post-doc,
Science Institute Chemistry Division U. Iceland Aug – Sep
2005 -
2009,
PhD student,
CAMd DTU
2003 -
2005,
M.Sc. nemi,
University of Iceland
Published works
2016
On the pH dependence of electrochemical proton transfer barriers
Catalysis Today
2015
Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design
Physical Chemistry Chemical Physics
The Mechanism of Industrial Ammonia Synthesis Revisited: Calculations of the Role of the Associative Mechanism
Journal of Physical Chemistry C
2014
A systematic, first-principles study of the structural preference and magnetic properties of mononitrides of the d-block metals
Journal of Alloys and Compounds
Catalytic Activity of Pt Nano-Particles for H-2 Formation
Topics in Catalysis
2013
Modeling of the symmetry factor of electrochemical proton discharge via the Volmer reaction
Catalysis Today
Hydrogen adsorption and desorption at the Pt(110)-(1 x 2) surface: experimental and theoretical study
Physical Chemistry Chemical Physics
2012
Reentrant Mechanism for Associative Desorption: H-2/Pt(110)-(1 x 2)
Physical Review Letters
A systematic DFT study of hydrogen diffusion on transition metal surfaces
Surface Science
Local density of states analysis using Bader decomposition for N-2 and CO2 adsorbed on Pt(110)-(1 x 2) electrodes
Journal of Chemical Physics
A theoretical evaluation of possible transition metal electro-catalysts for N-2 reduction
Physical Chemistry Chemical Physics
2011
Standard hydrogen electrode and potential of zero charge in density functional calculations
Physical Review B
Universal transition state scaling relations for (de)hydrogenation over transition metals
Physical Chemistry Chemical Physics
2010
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations (vol 114, pg 18182, 2010)
Journal of Physical Chemistry C
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations
Journal of Physical Chemistry C
Hydrogen adsorption on palladium and palladium hydride at 1 bar
Surface Science
The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations
Electrochimica Acta
2008
Modeling the electrified solid-liquid interface
Chemical Physics Letters
2007
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode
Physical Chemistry Chemical Physics
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode
Abstracts of Papers of the American Chemical Society
Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles
Physical Review Letters
Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces
Physical Review Letters
2006
Predicting catalysis: Understanding ammonia synthesis from first-principles calculations
Journal of Physical Chemistry B
Keywords for Specialisation:
Material & System Design
Renewable energy
Heterogeneous Catalysis
Electrochemistry
Photo-catalysis
Nano-particles
Density Functional Theory
Hydrogen Formation/Oxidation
Ammonia Synthesis
N2 Fixation
CO2 Reduction
Nitrate Cleanup
Understanding Reaction Mechanisms
Modeling Electro-catalytic Reactions
Engineering Physics
Molecular Dynamics
Chemical Engineering
Computational Chemistry
Oxygen Reduction/Evolution Reaction
Integrating AI and DFT
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Deep Neural Network
Thermal Catalysis
Functional properties of coordination polymers/MOFs
MOFs
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