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Egill Skúlason - Professor

Egill Skúlason

–

School of Engineering and Natural Sciences

Egill Skúlason

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

Published works

2016

On the pH dependence of electrochemical proton transfer barriersCatalysis Today

2015

Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst designPhysical Chemistry Chemical Physics
The Mechanism of Industrial Ammonia Synthesis Revisited: Calculations of the Role of the Associative MechanismJournal of Physical Chemistry C

2014

A systematic, first-principles study of the structural preference and magnetic properties of mononitrides of the d-block metalsJournal of Alloys and Compounds
Catalytic Activity of Pt Nano-Particles for H-2 FormationTopics in Catalysis

2013

Modeling of the symmetry factor of electrochemical proton discharge via the Volmer reactionCatalysis Today
Hydrogen adsorption and desorption at the Pt(110)-(1 x 2) surface: experimental and theoretical studyPhysical 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 surfacesSurface Science
Local density of states analysis using Bader decomposition for N-2 and CO2 adsorbed on Pt(110)-(1 x 2) electrodesJournal of Chemical Physics
A theoretical evaluation of possible transition metal electro-catalysts for N-2 reductionPhysical Chemistry Chemical Physics

2011

Standard hydrogen electrode and potential of zero charge in density functional calculationsPhysical Review B
Universal transition state scaling relations for (de)hydrogenation over transition metalsPhysical 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 CalculationsJournal of Physical Chemistry C
Hydrogen adsorption on palladium and palladium hydride at 1 barSurface Science
The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculationsElectrochimica Acta

2008

Modeling the electrified solid-liquid interfaceChemical Physics Letters

2007

Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrodePhysical Chemistry Chemical Physics
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrodeAbstracts of Papers of the American Chemical Society
Cyclic voltammograms for H on Pt(111) and Pt(100) from first principlesPhysical Review Letters
Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfacesPhysical Review Letters

2006

Predicting catalysis: Understanding ammonia synthesis from first-principles calculationsJournal of Physical Chemistry B