Dr. Matthias Vandichel

Biography

Matthias Vandichel is a Lecturer in chemical engineering at the University of Limerick. He is a chemical engineering graduate from Ghent University (2003-2008). After his M.Sc. studies, he obtained a PhD-fellowship from Ghent University to investigate catalytic reactions within zeolites and metal organic frameworks (2008-2012). After his PhD, he expanded his research activities to the active site modulation of catalysts as postdoctoral fellow of the Research Foundation Flanders (2013-2016). During this period, he visited two catalysis centres; IRCELyon (France) and the competence centre for catalysis in Chalmers (Sweden). He continued as a researcher at Chalmers (2016-2018), focusing on ab initio thermodynamics, kinetic modelling and the prediction of core level shifts. In September 2018, he joined Aalto University (Finland) to work primarily on the computational electrochemistry topics, such as the description of heterogeneous oxygen evolution catalysts. During his PhD and postdoctoral periods, he has gathered expertise within molecular modeling techniques and catalysis by being embedded within various interdisciplinary research environments. Since October 2019, he works at the University of Limerick as Lecturer within the Department of Chemical Sciences and as Principle Investigator within the Bernal Institute.

Research interests: Computational catalysis, Electronic structure calculations, High-performance computing, Molecular Modeling
Teaching: Module leader of Chemical engineering thermodynamics (CG4005), Process Control and Modeling (CH4404), Module co-lecturer for Chemical Engineering Design Methods (CG5031).

Additional Links:More information on the Materials & Catalysis Modeling group and links to other modeling activities within the Bernal Institute can be found on MACATAMO-group.com. Matthias' research can be followed via Google Scholar, ORCID, Scopus, ResearcherID, ResearchGate and Twitter.

Qualifications:
M.Sc., Chemical Engineering, Ghent University, Belgium, 2008
Ph.D., Ghent University, Belgium, 2012

Research Interests

Research interests: Computational catalysis, Electronic structure calculations, High-performance computing, Molecular Modeling
Matthias' current research interests include computational catalysis (including electro and photo catalysis) and applications of kinetic modeling and Monte Carlo methods to study reaction networks and adsorption phenomena on heterogeneous material interfaces as well as the application of these techniques to describe adsorption and separation of molecules within crystalline porous materials.

Peer Reviewed Journals

2021

Synthesis of Colloidal WSe2 Nanocrystals: Polymorphism Control by Precursor-Ligand Chemistry

Pengshang Zhou, Pieter Schiettecatte, Matthias Vandichel, Anastasia Rousaki, Peter Vandenabeele, Zeger Hens, Shalini Singh (2021) Synthesis of Colloidal WSe2 Nanocrystals: Polymorphism Control by Precursor-Ligand Chemistry. Crystal Growth & Design

Biography

Research Interests

Publications

Peer Reviewed Journals

Synthesis of Colloidal WSe2 Nanocrystals: Polymorphism Control by Precursor-Ligand Chemistry

Understanding Solid-gas Reaction Mechanisms by Operando Soft X-ray Absorption Spectroscopy at Ambient Pressure

Oxygen Evolution on Metal-oxy-hydroxides: Beneficial Role of Mixing Fe, Co, Ni Explained via Bifunctional Edge/acceptor Route

Water Oxidation at Neutral pH using a Highly Active Copper-Based Electrocatalyst

Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism

Reversible Switching between Nonporous and Porous Phases of a New SIFSIX Coordination Network Induced by a Flexible Linker Ligand.

Microwave-heated γ-Alumina Applied to the Reduction of Aldehydes to Alcohols

Engineering of a highly stable metal-organic Co-film for efficient electrocatalytic water oxidation in acidic media

Oxygen Evolution on Metal-oxy-hydroxides: Beneficial Role of Mixing Fe, Co, Ni Explained via Bifunctional Edge/acceptor Route

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

Initial Fe3O4(100) Formation on Fe(100)

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

A dimer path for CO dissociation on PtSn

Favourable band edge alignment and increased visible light absorption in Î²-MoO3/Î±-MoO3 oxide heterojunction for enhanced photoelectrochemical performance

CO Oxidation at SnO2/Pt3Sn(111) Interfaces

Catalysis at the Rim: A Mechanism for Low Temperature CO Oxidation over Pt3Sn

A Robust Molecular Catalyst Generated In Situ for Photoand Electrochemical Water Oxidation

Inserting CO2 into Terminal Alkynes via Bis-(NHC)-Metal Complexes

Biocompatible Zr-based nanoscale MOFs coated with modified poly (epsilon-caprolactone) as anticancer drug carriers

Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks

Origin of highly active metal-organic framework catalysts: defects? Defects!

Active site engineering in UiO-66 type metal-organic frameworks by intentional creation of defects: a theoretical rationalization

Au@UiO-66: a base free oxidation catalyst (vol 5, pg 22334, 2015)

Au@UiO-66: a base free oxidation catalyst

Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2 metal organic frameworks

First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study

Vanadium metal-organic frameworks: structures and applications

Base catalytic activity of alkaline earth MOFs: a (micro)spectroscopic study of active site formation by the controlled transformation of structural anions

Catalytic Performance of Vanadium MIL-47 and Linker-Substituted Variants in the Oxidation of Cyclohexene: A Combined Theoretical and Experimental Approach

Metal-dioxidoterephthalate MOFs of the MOF-74 type: Microporous basic catalysts with well-defined active sites

Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis

Synthesis Modulation as a Tool To Increase the Catalytic Activity of Metal-Organic Frameworks: The Unique Case of UiO-66(Zr)

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53

New Functionalized Metal-Organic Frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3): Synthesis, Characterization, and CO2 Adsorption Properties

New V-IV-Based Metal-Organic Framework Having Framework Flexibility and High CO2 Adsorption Capacity

Insight in the activity and diastereoselectivity of various Lewis acid catalysts for the citronellal cyclization

Electronic Effects of Linker Substitution on Lewis Acid Catalysis with Metal-Organic Frameworks

Synthesis, characterization and sorption properties of NH2-MIL-47

Host-guest and guest-guest interactions between xylene isomers confined in the MIL-47(V) pore system

Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5

The coordinatively saturated vanadium MIL-47 as a low leaching heterogeneous catalyst in the oxidation of cyclohexene

Ab Initio Parametrized Force Field for the Flexible Metal-Organic Framework MIL-53(Al)

Mechanistic insight into the cyclohexene epoxidation with VO(acac)(2) and tert-butyl hydroperoxide

Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5

First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions

The remarkable catalytic activity of the saturated metal organic framework V-MIL-47 in the cyclohexene oxidation

Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion

The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study

Books

Book Chapters

Edited Books

Other Journals

Chlorine in NiO promotes electroreduction of CO2 to formate

Modeling Polyzwitterion-Based Drug Delivery Platforms: A Perspective of the Current State-of-the-Art and Beyond

Hydrogen evolution in alkaline medium on intratube and surface decorated PtRu catalyst

Al2O3 nanofibers prepared from aluminum Di(sec-butoxide)acetoacetic ester chelate exhibits high surface area and acidity

Surprisingly Low Reactivity of Layered Manganese Oxide toward Water Oxidation in Fe/Ni-Free Electrolyte under Alkaline Conditions

The First Sulfate-Pillared Hybrid Ultramicroporous Material, SOFOUR-1-Zn, and Its Acetylene Capture Properties

The First Sulfate-Pillared Hybrid Ultramicroporous Material, SOFOUR-1-Zn, and Its Acetylene Capture Properties

Elucidation of StructuretextendashActivity Relations in Proton Electroreduction at Pd Surfaces: Theoretical and Experimental Study

Enhanced Photocatalytic Hydrogen Evolution from Water Splitting on Ta2O5/SrZrO3 Heterostructures Decorated with CuxO/RuO2 Cocatalysts

Synthesis of Colloidal WSe2 Nanocrystals: Polymorphism Control by Precursor-Ligand Chemistry

High Working Capacity Acetylene Storage at Ambient Temperature Enabled by a Switching Adsorbent Layered Material

Synthesis of Colloidal WSe2 Nanocrystals: Polymorphism Control by Precursor-Ligand Chemistry

Understanding the Dynamics of Molecular Water Oxidation Catalysts with Liquid-Phase Transmission Electron Microscopy: The Case of Vitamin B12

Breaking the trade-off between selectivity and adsorption capacity for gas separation

Theory and modelling: general discussion

Understanding SolidtextendashGas Reaction Mechanisms by Operando Soft X-Ray Absorption Spectroscopy at Ambient Pressure

Water Oxidation at Neutral pH using a Highly Active Copper-Based Electrocatalyst

Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism

A square lattice topology coordination network that exhibits highly selective C2H2/CO2 separation performance

Water Oxidation at Neutral pH using a Highly Active Copper-Based Electrocatalyst

Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism

Understanding Solid--Gas Reaction Mechanisms by Operando Soft X-Ray Absorption Spectroscopy at Ambient Pressure

Oxygen Evolution on Metal-oxy-hydroxides: Beneficial Role of Mixing Fe, Co, Ni Explained via Bifunctional Edge/acceptor Route

Engineering of a highly stable metal-organic Co-film for efficient electrocatalytic water oxidation in acidic media