Nora De Leeuw

University College London

United Kingdom

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Articles (29)

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Collaborators (8)

Rainer Adelung

Kiel University

GERMANY

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Scott M Woodley

University College London

UNITED KINGDOM

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Leonard Siebert

Kiel University

GERMANY

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Marietjie J. Ungerer

University of Leeds

UNITED KINGDOM

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Angelos Michaelides

University College London

UNITED KINGDOM

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Aleksandar Živković

Utrecht University

NETHERLANDS

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Nelson Yaw Dzade

Assistant Professor

The Pennsylvania State University - University Park Campus

UNITED STATES

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Charles Catlow

University College London

UNITED KINGDOM

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Nora De Leeuw

Research Interests

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Articles (29)

Water Is Cool: Advanced Phonon Dynamics in Ice Ih and Ice XI via Machine Learning Potentials and Quantum Nuclear Vibrations

Synthesis, XRD and DFT studies on Pb[ChCN]2 (Ch = O, S, Se) and Pb[SeCN][OH]

Thermodynamics of hydrogen adsorption on ruthenium fcc surfaces: a density functional theory study

A density functional theory study of thermally activated water splitting on the CuWO4 (010) surface

DFT study of CO2 activation on pristine and vacancy-containing 2D-GeC monolayers

Defect-mediated CO2 activation at two-dimensional MgO monolayers: A DFT study

Dissociation of Hydrogen and Formation of Water at the (010) and (111) Surfaces of Orthorhombic FeNbO4

Vacancy Ordering in Fe-Deficient Iron Sulfide with the NiAs-Type Structure

Role of Interfacial Morphology in Cu2O/TiO2 and Band Bending: Insights from Density Functional Theory

Fabrication of ZnO Scaffolded CdS Nanostructured Photoanodes with Enhanced Photoelectrochemical Water Splitting Activity under Visible Light

High performance thermoelectrics from low-cost and abundant CuS/CuI composites

Density Functional Theory Study of Alkaline Earth-Based Titanate Perovskite Oxides: Unraveling Their Significance for Solar Cell Applications

Strongly-Confined CsPbI3 Quantum Dots by Surface Cleaning-Induced Ligand Exchange for Spectrally Stable Pure-Red Light-Emitting Diodes with Efficiency Exceeding 26%

A Density Functional Theory Study of the Physico-Chemical Properties of Alkali Metal Titanate Perovskites for Solar Cell Applications

A DFT Study of CO Hydrogenation on Graphene Oxide: Effects of Adding Mn on Fischer–Tropsch Synthesis

Cation doping and oxygen vacancies in the orthorhombic FeNbO4 material for solid oxide fuel cell applications: A density functional theory study

Electrochemically Engineered Lanthanum Nickelate as a Promising Transparent Hole-Transport Layer for Bulk Heterojunction Polymer Solar Cells: An Experimental and DFT Study

Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

Evaluation of Cobalt, Nickel, and Palladium Complexes as Catalysts for the Hydrogenation and Improvement of Oxidative Stability of Biodiesel

Supercomputing modelling of advanced materials: preface

The Transfer Hydrogenation of Cinnamaldehyde Using Homogeneous Cobalt(II) and Nickel(II) (E)-1-(Pyridin-2-yl)-N-(3-(triethoxysilyl)propyl)methanimine and the Complexes Anchored on Fe3O4 Support as Pre-Catalysts: An Experimental and In Silico Approach

Exploring the Redox Properties of the Low-Miller Index Surfaces of Copper Tungstate (CuWO4): Evaluating the Impact of the Environmental Conditions on the Water Splitting and Carbon Dioxide Reduction Processes

A Review of Theoretical Studies on Carbon Monoxide Hydrogenation via Fischer–Tropsch Synthesis over Transition Metals

Development of 2-in-1 Sensors for the Safety Assessment of Lithium-Ion Batteries via Early Detection of Vapors Produced by Electrolyte Solvents

Density Functional Theory Study of the Hydrogenation of Carbon Monoxide over the Co (001) Surface: Implications for the Fischer–Tropsch Process

A DFT Study of Ruthenium fcc Nano-Dots: Size-Dependent Induced Magnetic Moments

Suppressing Auger Recombination of Perovskite Quantum Dots for Efficient Pure-Blue-Light-Emitting Diodes

A DFT Study of Alkaline Earth Metal-Doped FAPbI<sub>3</sub> (111) and (100) Surfaces

Carbon dioxide hydrogenation over the carbon-terminated niobium carbide (111) surface: a density functional theory study

Collaborators (8)

Rainer Adelung

Scott M Woodley

Leonard Siebert

Marietjie J. Ungerer

Angelos Michaelides

Aleksandar Živković

Nelson Yaw Dzade

Charles Catlow

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