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List of works by Egill Skúlason

A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction.

scientific article published on 7 December 2011

Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene

scientific article published on 22 September 2021

Biomimetic Nitrogen Fixation Catalyzed by Transition Metal Sulfide Surfaces in an Electrolytic Cell

scientific article published on 27 August 2019

Catalytic trends of nitrogen doped carbon nanotubes for oxygen reduction reaction

scientific article published on 07 October 2019

Cyclic Voltammograms for H on Pt(111) and Pt(100) from First Principles

scientific article published in Physical Review Letters

Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode

scientific article published on 30 May 2007

Elucidation of temperature-programmed desorption of high-coverage hydrogen on Pt(211), Pt(221), Pt(533) and Pt(553) based on density functional theory calculations

scientific article published on 24 July 2019

Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design.

scientific article

Hydrogen adsorption and desorption at the Pt(110)-(1×2) surface: experimental and theoretical study

scientific article published on 01 May 2013

Hydrogenation of CO2 to Methanol by Pt Nanoparticles Encapsulated in UiO-67: Deciphering the Role of the Metal-Organic Framework

scientific article published on 03 January 2020

Local density of states analysis using Bader decomposition for N2 and CO2 adsorbed on Pt(110)-(1 × 2) electrodes

scientific article published on 01 October 2012

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

article

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

Reentrant mechanism for associative desorption: H2/Pt(110)-(1×2)

scientific article published on 10 April 2012

Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces

scientific article published on 06 July 2007

Universal transition state scaling relations for (de)hydrogenation over transition metals

scientific article published on 14 October 2011

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