List of works - Frank Abild-Pedersen

A Highly Active Molybdenum Phosphide Catalyst for Methanol Synthesis from CO and CO 2

A Highly Active Molybdenum Phosphide Catalyst for Methanol Synthesis from CO and CO2

scientific article published on 18 October 2018

A coordination-based model for transition metal alloy nanoparticles

scientific article published on 01 March 2019

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

scientific article published on 7 December 2011

Accessing the C-C transition state energy on transition metals

scientific article published on 08 November 2019

Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies.

scientific article published on 9 November 2015

Active edge sites in MoSe2 and WSe2 catalysts for the hydrogen evolution reaction: a density functional study.

scientific article published in July 2014

An orbital-overlap model for minimal work functions of cesiated metal surfaces

scientific article published on 28 September 2012

Assessing the reliability of calculated catalytic ammonia synthesis rates

scientific article published in Science

Atomic-scale imaging of carbon nanofibre growth

scientific article

Brønsted–Evans–Polanyi Relationship for Transition Metal Carbide and Transition Metal Oxide Surfaces

CatApp: a web application for surface chemistry and heterogeneous catalysis.

scientific article

Chemical Bond Activation Observed with an X-ray Laser

scientific article

Chemical and Phase Evolution of Amorphous Molybdenum Sulfide Catalysts for Electrochemical Hydrogen Production

scientific article published in December 2015

Comment on “Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications”

scholarly article by Frank Abild-Pedersen et al published 14 March 2013 in Journal of Physical Chemistry C

Density functional theory in surface chemistry and catalysis

scientific article

Descriptor-Based Analysis Applied to HCN Synthesis from NH3 and CH4

article

Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends

Direct and continuous strain control of catalysts with tunable battery electrode materials.

scientific article published in November 2016

Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol

scientific article

Dynamical Observation and Detailed Description of Catalysts under Strong Metal-Support Interaction

scientific article published on 9 June 2016

Electrochemical chlorine evolution at rutile oxide (110) surfaces.

scientific article published on 11 November 2009

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution.

scientific article published on 21 April 2017

Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy

Engineering high-performance Pd core-MgO porous shell nanocatalysts via heterogeneous gas-phase synthesis.

scientific article published on 23 July 2015

Enhancing Electrocatalytic Water Splitting by Strain Engineering

scientific article published on 18 February 2019

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Insights into carbon nanotube nucleation: cap formation governed by catalyst interfacial step flow

scientific article

Interlayer carbon bond formation induced by hydrogen adsorption in few-layer supported graphene.

scientific article published on 20 August 2013

Investigating Catalyst–Support Interactions To Improve the Hydrogen Evolution Reaction Activity of Thiomolybdate [Mo3S13]2– Nanoclusters

Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters

scientific article published on 26 December 2012

Mechanistic insights into heterogeneous methane activation.

scientific article

Nature of Lone-Pair–Surface Bonds and Their Scaling Relations

scientific article published on 04 June 2018

On the role of the surface oxygen species during A-H (A = C, N, O) bond activation: a density functional theory study

scientific article published in February 2015

Operando Characterization of an Amorphous Molybdenum Sulfide Nanoparticle Catalyst during the Hydrogen Evolution Reaction

Predicting Adsorption Properties of Catalytic Descriptors on Bimetallic Nanoalloys with Site-Specific Precision

scientific article published on 04 April 2019

Predicting Promoter-Induced Bond Activation on Solid Catalysts Using Elementary Bond Orders.

scientific article published on 4 September 2015

Real-Time Elucidation of Catalytic Pathways in CO Hydrogenation on Ru.

scientific article published on 31 July 2017

Reversible graphene-metal contact through hydrogenation

scholarly article in Physical Review B, vol. 86 no. 7, August 2012

Scaling Relations for Adsorption Energies on Doped Molybdenum Phosphide Surfaces

Selectivity of Synthesis Gas Conversion to C2+ Oxygenates on fcc(111) Transition-Metal Surfaces

Spin Uncoupling in Chemisorbed OCCO and CO2: Two High-Energy Intermediates in Catalytic CO2 Reduction

Stability of Pt-Modified Cu(111) in the Presence of Oxygen and Its Implication on the Overall Electronic Structure

Surface Tension Effects on the Reactivity of Metal Nanoparticles

scientific article published on 10 September 2015

The active site of methanol synthesis over Cu/ZnO/Al2O3 industrial catalysts.

scientific article

The nature of the active site in heterogeneous metal catalysis

scientific article published on 04 August 2008

Thermionic current densities from first principles

scientific article

Toward Controlled Growth of Helicity-Specific Carbon Nanotubes.

scientific article published on 2 June 2015

Trends in the Thermodynamic Stability of Ultrathin Supported Oxide Films

Tuning the MoS₂ edge-site activity for hydrogen evolution via support interactions.

scientific article published on 10 February 2014

Understanding Structure-Property Relationships of MoO3-Promoted Rh Catalysts for Syngas Conversion to Alcohols

scientific article published on 05 December 2019

Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption

scientific article published on 24 October 2014

Understanding trends in C-H bond activation in heterogeneous catalysis

scientific article published on 10 October 2016

List of works by Frank Abild-Pedersen

A Highly Active Molybdenum Phosphide Catalyst for Methanol Synthesis from CO and CO 2

A Highly Active Molybdenum Phosphide Catalyst for Methanol Synthesis from CO and CO2

A coordination-based model for transition metal alloy nanoparticles

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

Accessing the C-C transition state energy on transition metals

Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies.

Active edge sites in MoSe2 and WSe2 catalysts for the hydrogen evolution reaction: a density functional study.

An orbital-overlap model for minimal work functions of cesiated metal surfaces

Assessing the reliability of calculated catalytic ammonia synthesis rates

Atomic-scale imaging of carbon nanofibre growth

Brønsted–Evans–Polanyi Relationship for Transition Metal Carbide and Transition Metal Oxide Surfaces

CatApp: a web application for surface chemistry and heterogeneous catalysis.

Chemical Bond Activation Observed with an X-ray Laser

Chemical and Phase Evolution of Amorphous Molybdenum Sulfide Catalysts for Electrochemical Hydrogen Production

Comment on “Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications”

Density functional theory in surface chemistry and catalysis

Descriptor-Based Analysis Applied to HCN Synthesis from NH3 and CH4

Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends

Direct and continuous strain control of catalysts with tunable battery electrode materials.

Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol

Dynamical Observation and Detailed Description of Catalysts under Strong Metal-Support Interaction

Electrochemical chlorine evolution at rutile oxide (110) surfaces.

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution.

Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy

Engineering high-performance Pd core-MgO porous shell nanocatalysts via heterogeneous gas-phase synthesis.

Enhancing Electrocatalytic Water Splitting by Strain Engineering

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

Insights into carbon nanotube nucleation: cap formation governed by catalyst interfacial step flow

Interlayer carbon bond formation induced by hydrogen adsorption in few-layer supported graphene.

Investigating Catalyst–Support Interactions To Improve the Hydrogen Evolution Reaction Activity of Thiomolybdate [Mo3S13]2– Nanoclusters

Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters

Mechanistic insights into heterogeneous methane activation.

Nature of Lone-Pair–Surface Bonds and Their Scaling Relations

On the role of the surface oxygen species during A-H (A = C, N, O) bond activation: a density functional theory study

Operando Characterization of an Amorphous Molybdenum Sulfide Nanoparticle Catalyst during the Hydrogen Evolution Reaction

Predicting Adsorption Properties of Catalytic Descriptors on Bimetallic Nanoalloys with Site-Specific Precision

Predicting Promoter-Induced Bond Activation on Solid Catalysts Using Elementary Bond Orders.

Real-Time Elucidation of Catalytic Pathways in CO Hydrogenation on Ru.

Reversible graphene-metal contact through hydrogenation

Scaling Relations for Adsorption Energies on Doped Molybdenum Phosphide Surfaces

Selectivity of Synthesis Gas Conversion to C2+ Oxygenates on fcc(111) Transition-Metal Surfaces

Spin Uncoupling in Chemisorbed OCCO and CO2: Two High-Energy Intermediates in Catalytic CO2 Reduction

Stability of Pt-Modified Cu(111) in the Presence of Oxygen and Its Implication on the Overall Electronic Structure

Surface Tension Effects on the Reactivity of Metal Nanoparticles

The active site of methanol synthesis over Cu/ZnO/Al2O3 industrial catalysts.

The nature of the active site in heterogeneous metal catalysis

Thermionic current densities from first principles

Toward Controlled Growth of Helicity-Specific Carbon Nanotubes.

Trends in the Thermodynamic Stability of Ultrathin Supported Oxide Films

Tuning the MoS₂ edge-site activity for hydrogen evolution via support interactions.

Understanding Structure-Property Relationships of MoO3-Promoted Rh Catalysts for Syngas Conversion to Alcohols

Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption

Understanding trends in C-H bond activation in heterogeneous catalysis