Publications
The publications of our permanent staff members (especially recent ones) can be found via their ORCiD identifiers. These are linked below. Alternative resources are also provided.
Dr. Nong Artrith (alternative overview)
Prof. Dr. Frank de Groot (alternative overview)
Dr. Jessi van der Hoeven (alternative overview)
Prof. Dr. Ir. Krijn de Jong (alternative overview)
Prof. Dr. Petra de Jongh (alternative overview)
Dr. Peter Ngene (alternative overview)
Recent work
At least one of our group members has contributed to each of the publications listed below.
2025
A practical guide to machine learning interatomic potentials: Status and future
Au-Pd core-shell nanoparticles for enhanced catalytic performance in liquid-phase selective hydrogenation
Bimetallic Palladium-based Hydrogenation Catalysts: Preparation, Characterization and Performance
Cost-Effective Strategy of Enhancing Machine Learning Potentials by Transfer Learning from a Multicomponent Data Set on ainet-PyTorch
Decoupling multiscale morphological effects in templated porous Ag electrodes for electrochemical CO₂ reduction
Design of High-Surface-Area Bimetallic Ag-Cu Nanostructures with a Tunable Ratio Obtained via Selective Leaching of Ag from Ag-Cu Alloys
Direct conversion of syngas into methyl acetate by relay catalysis: From fabrication of active sites to process control
Effect of catalyst support on dihydrougenoł hydrodesoxygenation on low cost FeNi catalyst to produce renewable alkane fuel
Electronic and Structural Relaxation of Photoexcited WO₃ Observed by Femtosecond Resonant X-ray Emission Spectra
Elucidation of the Co⁴⁺ state with strong charge-transfer effects in charged LiCoO₂ by resonant soft X-ray emission spectroscopy at the Co L₃ edge
Enhanced Ionic Conductivity and Electrochemical Properties of Li₂B₁₀H₁₂/ZrO₂ Nanocomposites for All-Solid-State Lithium Metal Batteries
Experimental determination of the mechanical and hydrolytic properties of chitosan/rice husk ash composite membranes
Geometry-dependent analysis of 2p3d- and 2p3s-partial fluorescence yield spectra for high-spin 3d⁵ systems
Highly Antioxidative Lithium Salt Enables High-Voltage Ether Electrolyte for Lithium Metal Battery
Hot-carrier trapping preserves high quantum yields but limits optical gain in InP-based quantum dots
Hybrid Interfacial Modulation for Stabilizing Anode-Less Lithium-Sulfur Batteries: Guided Lithium Nucleation and Polysulfide Regulation
Influence of alkali and chloride promoters on silver catalysts in ethylene epoxidation
Insight into the influence of Re and Cl on Ag catalysts in ethylene epoxidation
In Situ Gas-Phase 4D-STEM for Strain Mapping during Hydride Formation in Palladium Nanocubes
In the Blink of an X-ray: Femtosecond X-ray Absorption of Transition Metal Perovskites
Inverted shear-strain magnetoelastic coupling at the Fe/BaTiO₃ interface from polarised x-ray imaging
Ionomer-Modulated Electrochemical Interface Leading to Improved Selectivity and Stability of Cu₂O-Derived Catalysts for CO₂ Electroreduction
Metal-Organic Open-Framework Molecular Magnet Based on Vanadium Hexacyanoferrate Prussian Blue Analogue as Cathode Material for Advanced Potassium Ion Aqueous Battery
Nanoscale wetting controls reactive Pd ensembles in synthesis of dilute PdAu alloy catalysts
Operando X-ray absorption and resonant photoemission spectroscopy of transition metal oxides
Partial PdAu nanoparticle embedding into TiO₂ support accentuates catalytic contributions from the Au/TiO₂ interface
Porous Ag-based Electrodes for the Electrochemical Reduction of CO₂: aMAZEing catalysts
Positioning Cu in Templated Porous Ag for Active and Selective Electroreduction to C₂ₓ Products
Quantification of the porosity in template-based ordered porous Ag electrodes and its effect on electrochemical CO₂ reduction
Quantifying elemental colocation in nanostructured materials using energy-dispersive X-ray spectroscopy
Scalable training of neural network potentials for complex interfaces through data augmentation
Silver catalysts for ethylene epoxidation: The role of support and promoters
Solid-state lithium-ion battery employing LiBH₄-ZrO₂ as a solid-state electrolyte
Spin-orbital excitations encoding the magnetic phase transition in the van der Waals antiferromagnet FePS₃
State-of-the-art for the development of Cu-based heterogeneous catalysts for efficient utilization of furfural to value chemicals via liquid-phase and gas-phase reactions
Superprotonic Conductivity in Hexagonal and Tetragonal Cesium Hydroxide Hydrate
Synthesis, Hydrogen Sorption Properties, and Hydride-Ion Conductivity of K₂MgH₄
Synthetic control over lattice strain in trimetallic AuCu-core Pt-shell nanoparticles
Understanding Structure-Composition-Property Relationships of N-H Bulk Metallic Glasses
Understanding the promotional role of Pd in oxidative alcohol coupling reactions over dilute PdAu alloys
Uniform and Stable Pd-Ni Nanocatalysts for Cinnamaldehyde Hydrogenation
Unraveling the Kinetics of Hydride Formation and Decomposition at Pd-Au Bimetallic Interfaces: A Combined Spectroscopic and Computational Study
2024
Synthesis and Catalytic Performance of Bimetallic Oxide-Derived CuO–ZnO Electrocatalysts for CO2 Reduction
Insight into the influence of Re and Cl on Ag catalysts in ethylene epoxidation
Atomic multiplet and charge transfer screening effects in 1𝑠 and 2𝑝 core-level x-ray photoelectron spectra of early 3𝑑 transition-metal oxides
Orbital-overlap-driven hybridization in 3d-transition metal perovskite oxides LaMO3 (M = Ti-Ni) and La2CuO4
An In Situ TEM Study of the Influence of Water Vapor on Reduction of Nickel Phyllosilicate – Retarded Growth of Metal Nanoparticles at Higher Rates
In Situ X-ray Absorption Spectroscopy of LaFeO3 and LaFeO3/LaNiO3 Thin Films in the Electrocatalytic Oxygen Evolution Reaction
Mass transport effects in gas-phase selective hydrogenation of 1,3-butadiene over supported Pd
Nanoparticle proximity controls selectivity in benzaldehyde hydrogenation
Deciphering the Origin of Interface‐Induced High Li and Na Ion Conductivity in Nanocomposite Solid Electrolytes Using X‐Ray Raman Spectroscopy
Anomalous Impact of Mechanochemical Treatment on the Na‐ion Conductivity of Sodium Closo‐Carbadodecaborate Probed by X‐Ray Raman Scattering Spectroscopy
2023
ænet-PyTorch: A GPU-supported implementation for machine learning atomic potentials training
Alkylamine-Functionalized Carbon Supports to Enhance the Silver Nanoparticles Electrocatalytic Reduction of CO2 to CO
Anomalous Impact of Mechanochemical Treatment on the Na-ion Conductivity of Sodium Closo-Carbadodecaborate Probed by X-Ray Raman Scattering Spectroscopy
Author Correction: Ultrafast X-ray imaging of the light-induced phase transition in VO2
Carbon nanofiber growth from methane over carbon-supported NiCu catalysts: Two temperature regimes
Carbon Nanofiber Growth Rates on NiCu Catalysts: Quantitative Coupling of Macroscopic and Nanoscale In Situ Studies
Combined Effect of Halogenation and SiO2 Addition on the Li-Ion Conductivity of LiBH4
Constructing and Compressing Global Moment Descriptors from Local Atomic Environments
Designing Highly Conductive Sodium-Based Metal Hydride Nanocomposites: Interplay between Hydride and Oxide Properties
Direct Observation of Ni Nanoparticle Growth in Carbon-Supported Nickel under Carbon Dioxide Hydrogenation Atmosphere
Elucidating the validity of electronic characteristics of transition metal perovskites as descriptors bridging electro- and chemocatalysis†
Estimation of Temperature Homogeneity in MEMS-Based Heating Nanochips via Quantitative HAADF-STEM Tomography
Fitting Multiplet Simulations to L‑Edge XAS Spectra of Transition-Metal Complexes Using an Adaptive Grid Algorithm
Hydrogen storage in liquid hydrogen carriers: recent activities and new trends
Identifying the Optimal Pd Ensemble Size in Dilute PdAu Alloy Nanomaterials for Benzaldehyde Hydrogenation
Improving the Cycle Life of Solid-State Batteries by Addition of Oxide Nanoparticles to a Complex Hydride Solid Electrolyte
In Situ TEM Study of the Genesis of Supported Nickel Catalysts
In Situ Transmission Electron Microscopy to Study the Location and Distribution Effect of Pt on the Reduction of Co3O4–SiO2
Influence of carbon support surface modification on the performance of nickel catalysts in carbon dioxide hydrogenation
Influence of particle size in Pd-catalysed selective hydrogenation of 1,3-butadiene
Magnetic excitations beyond the single- and double-magnons
Mixed hydride-electronic conductivity in Rb2CaH4 and Cs2CaH4
Modulation-doping a correlated electron insulator
Oxide-derived Silver Nanowires for CO2 Electrocatalytic Reduction to CO
Oxygen and iron in interstellar dust: An X-ray investigation
Revealing Site Occupancy in a Complex Oxide: Terbium Iron Garnet
Role of La 5p in Bulk and Quantum-Confined Solids Probed by the La 5p54f13D1 Excitonic Final State of Resonant Inelastic X‑ray Scattering
Silver Catalysts Supported on High Surface Area α-Alumina: Effect of Carbohydrate Template Size and Heat Treatment on Phase Purity
Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes
Steering the Metal Precursor Location in Pd/Zeotype Catalysts and Its Implications for Catalysis
Surface-Modified Carbon Materials for CO2 Electroreduction
Synthesis and Characterization of Supported Mixed MoW Carbide Catalysts
The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni
Thermal Polymorphism in CsCB11H12
Thermochemical Treatment of Nigerian Raw Clays for Oil and Gas Drilling Operations
Ultrafast X-ray imaging of the light-induced phase transition in VO2
Until 2022
2p x-ray absorption spectroscopy of 3d transition metal systems
AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials
Analyzing the Local Electronic Structure of Co3O4Using 2p3d Resonant Inelastic X-ray Scattering
Anisotropy of 4f states in 3d-4f single-molecule magnets
Artificial Intelligence-Aided Mapping of the Structure–Composition–Conductivity Relationships of Glass–Ceramic Lithium Thiophosphate Electrolytes
Bifunctional Co-based Catalysts for Fischer-Tropsch Synthesis: Descriptors Affecting the Product Distribution
Charge-discharge-induced local strain distributions in a lithium amide-borohydride-iodide [LiBH4-LiNH2-LiI] solid electrolyte
Competition between reverse water gas shift reaction and methanol synthesis from CO2: influence of copper particle size
Comprehensive investigation of crystallographic, spin-electronic and magnetic structure of (Co0.2Cr0.2Fe0.2Mn0.2Ni0.2)3O4: Unraveling the suppression of configuration entropy in high entropy oxides
Conductor–Insulator Interfaces in Solid Electrolytes: A Design Strategy to Enhance Li-Ion Dynamics in Nanoconfined LiBH4/Al2O3
Cu-Co/ZnAl2O4 Catalysts for CO Conversion to Higher Alcohols Synthesized from Co-Precipitated Hydrotalcite Precursors
Data-driven approach to parameterize SCAN + U for an accurate description of 3d metal oxide themochemistry
Decoding reactive structures in dilute alloy catalysts
Dilute Alloys Based on Au, Ag, or Cu for Efficient Catalysis: From Synthesis to Active Sites
Direct and real-time observation of hole transport dynamics in anatase TiO2 using X-ray free-electron laser
Effects of LiBF4 Addition on the Lithium-Ion Conductivity of LiBH4
Electronic excitations of α- Fe2 O3 heteroepitaxial films measured by resonant inelastic x-ray scattering at the Fe L edge
Electronic structure of Tb0.5Sr0.5MnO3
Enhanced Room-Temperature Ionic Conductivity of NaCB11H12 via High-Energy Mechanical Milling
Evaporation-Induced Self-Assembly of Metal Oxide Inverse Opals: From Synthesis to Applications
Highly Ordered Inverse Opal Structures Synthesized from Shape-Controlled Nanocrystal Building Blocks
Hydrogen Dissociation Controls 1-Hexyne Selective Hydrogenation on Dilute Pd-in-Au Catalysts
Hydrogen storage in complex hydrides: past activities and new trends
Influence of atmosphere, interparticle distance and support on the stability of silver on α-alumina for ethylene epoxidation
Influence of Co:Fe:Ni ratio on cobalt Pentlandite’s electronic structure and surface speciation
Influence of the Support on Propene Oxidation over Gold Catalysts
Insight into the Nature of the ZnOx Promoter during Methanol Synthesis
Ion Conductivity in a Magnesium Borohydride Ammonia Borane Solid-State Electrolyte
Ionic conductivity in complex metal hydride-based nanocomposite materials: The impact of nanostructuring and nanocomposite formation
Ligand-Free Silver Nanoparticles for CO2 Electrocatalytic Reduction to CO
Machine Learning Framework and Materials Database for the Discovery of Earth-Abundant Electrolyser Materials
Machine learning prediction and experimental verification of Pt-modified nitride catalysts for ethanol reforming with reduced precious metal loading
Manganese Oxide as a Promoter for Copper Catalysts in CO2 and CO Hydrogenation
Manganese oxide promoter effects in the copper-catalyzed hydrogenation of ethyl acetate
Maximizing noble metal utilization in solid catalysts by control of nanoparticle location
Metallic and complex hydride-based electrochemical storage of energy
Niobium-based solid acids in combination with a methanol synthesis catalyst for the direct production of dimethyl ether from synthesis gas
Particle Size Effects in the Selective Hydrogenation of Alkadienes over Supported Cu Nanoparticles
Particle Size Effects of Carbon Supported Nickel Nanoparticles for High Pressure CO2 Methanation
Potassium hydride-intercalated graphite as an efficient heterogeneous catalyst for ammonia synthesis
Rational strain engineering of single-atom ruthenium on nanoporous MoS2 for highly efficient hydrogen evolution
Realizing Low-Temperature Charge-Transfer-Type Insulating Ground State in Strained V2O3 Thin Film
Room-Temperature Interconversion Between Ultrathin CdTe Magic-Size Nanowires Induced by Ligand Shell Dynamics
Room-Temperature Solid-State Lithium-Ion Battery Using a LiBH4–MgO Composite Electrolyte
Satellites in the Ti 1s core level spectra of SrTiO3 and TiO2
Self-Activated Catalytic Sites on Nanoporous Dilute Alloy for High-Efficiency Electrochemical Hydrogen Evolution
Silica-Coated Gold Nanorod Supraparticles: A Tunable Platform for Surface Enhanced Raman Spectroscopy
Spectroscopic characterization of electronic structures of ultra-thin single crystal La0.7Sr0.3MnO3
Steering the Selectivity in Gold–Titanium-Catalyzed Propene Oxidation by Controlling the Surface Acidity
Structural Control over Bimetallic Core–Shell Nanorods for Surface-Enhanced Raman Spectroscopy
Structure Dependent Product Selectivity for CO2 Electroreduction on ZnO Derived Catalysts
Supported Cu Nanoparticles as Selective and Stable Catalysts for the Gas Phase Hydrogenation of 1,3-Butadiene in Alkene-Rich Feeds
Supported silver catalysts prepared via melt infiltration: Synthesis, characterization and performance in selective hydrogenation
Synthesis and Formation Mechanism of Colloidal Janus-Type Cu2–xS/CuInS2 Heteronanorods via Seeded Injection
Temperature-Driven Self-Doping in Magnetite
Tensor description of X-ray magnetic dichroism at the Fe L2,3-edges of Fe3O4
The Nature of Interface Interactions Leading to High Ionic Conductivity in LiBH4/SiO2 Nanocomposites
The Significant Role of the Atomic Surface Structure of Support in Strong Metal-Support Interaction
Ultrafast X-ray imaging of the light-induced phase transition in VO2
Understanding the Onset of Surface Degradation in LiNiO2 Cathodes
Understanding the pathways toward improved efficiency in MXene-assisted perovskite solar cells
Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys
Unveiling interactions of non-metallic inclusions within advanced ultra-high-strength steel: A spectro-microscopic determination and first-principles elucidation
Unveiling nano-scaled chemical inhomogeneity impacts on corrosion of Ce-modified 2507 super-duplex stainless steels
Utilization of Silver Silicate for the Formation of Highly Dispersed Silver on Silica Catalysts
Visualizing Element Migration over Bifunctional Metal-Zeolite Catalysts and its Impact on Catalysis
