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List of works by Heine A Hansen

A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO₂ reduction

scientific article published on 30 April 2015

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

scientific article published on 23 September 2009

Bifunctional alloys for the electroreduction of CO2 and CO.

scientific article published on 14 March 2016

Cation insertion to break the activity/stability relationship for highly active oxygen evolution reaction catalyst

scientific article published on 13 March 2020

Combinatorial selection of a two-dimensional 3d-TM-tetracyanoquinodimethane (TM-TCNQ) monolayer as a high-activity nanocatalyst for CO oxidation

scientific article published on 2 February 2018

Combined DFT and DEMS investigation of the effect of dopants in secondary zinc-air batteries

scientific article published on 30 March 2018

Comparative DFT+U and HSE Study of the Oxygen Evolution Electrocatalysis on Perovskite Oxides

Computational Screening of Doped α-MnO2 Catalysts for the Oxygen Evolution Reaction

scientific article published on 30 November 2017

Computational Study of Nb-Doped-SnO2/Pt Interfaces: Dopant Segregation, Electronic Transport, and Catalytic Properties

DFT Study of the Oxygen Reduction Reaction on Carbon-Coated Iron and Iron Carbide

Decoupling strain and ligand effects in ternary nanoparticles for improved ORR electrocatalysis

scientific article

Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces

scientific article published on 26 October 2016

Direct observation of the oxygenated species during oxygen reduction on a platinum fuel cell cathode

scientific article published in Nature Communications

Electrochemical Reduction of CO2 on IrxRu(1–x)O2(110) Surfaces

Electrochemical chlorine evolution at rutile oxide (110) surfaces.

scientific article published on 11 November 2009

Elucidating the activity of stepped Pt single crystals for oxygen reduction.

scientific article published on 19 March 2014

Energy-entropy competition in cation-hydroxyl interactions at the liquid water-Pt(111) interface

scientific article published on 01 January 2020

Enhanced Oxygen Reduction Activity by Selective Anion Adsorption on Non-Precious-Metal Catalysts

First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction

scientific article published on 01 May 2015

First principles investigation of zinc-anode dissolution in zinc-air batteries

scientific article published in May 2013

From 3D to 2D Co and Ni Oxyhydroxide Catalysts: Elucidation of the Active Site and Influence of Doping on the Oxygen Evolution Activity

article

Functional Independent Scaling Relation for ORR/OER Catalysts

article

Giant onsite electronic entropy enhances the performance of ceria for water splitting

scientific article published on 18 August 2017

Identifying systematic DFT errors in catalytic reactions

Improving the Activity of M-N4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption

scientific article published on 07 November 2019

Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2

Modeling CO2 reduction on Pt(111).

scientific article published in May 2013

N-Doped Graphene Supported on Metal-Iron Carbide as a Catalyst for the Oxygen Reduction Reaction: Density Functional Theory Study

scientific article published on 30 January 2020

Nanoscale structural characterization of Mg(NH3)6Cl2 during NH3 desorption: An in situ small angle X-ray scattering study

article

OH formation and H adsorption at the liquid water-Pt(111) interface

Orientation-Dependent Oxygen Evolution on RuO2 without Lattice Exchange

Rate enhancement in microfabricated chemical reactors under fast forced temperature oscillations

article published in 2006

Reducing Systematic Errors in Oxide Species with Density Functional Theory Calculations

article

Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

scientific article published on 01 January 2008

Selective Electrochemical Generation of Hydrogen Peroxide from Water Oxidation ⬇️

scientific article published on 12 October 2015

Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111)

Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory

scientific article published on 14 November 2011

Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT.

scientific article

The Pt(111)/Electrolyte Interface under Oxygen Reduction Reaction Conditions: An Electrochemical Impedance Spectroscopy Study

scientific article published on 18 January 2011

Ti atoms in Ru0.3Ti0.7O2 mixed oxides form active and selective sites for electrochemical chlorine evolution

Towards identifying the active sites on RuO2(110) in catalyzing oxygen evolution

Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces

scientific article published on 01 March 2014

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO.

scientific article published on 14 January 2013

Unifying the 2e(-) and 4e(-) Reduction of Oxygen on Metal Surfaces

scientific article published on 28 September 2012

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

article published in 2012

Using microkinetic analysis to search for novel anhydrous formaldehyde production catalysts

Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces

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