Simon Smolders

ORCID: 0000-0002-3622-2022
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About
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Research Areas
  • Metal-Organic Frameworks: Synthesis and Applications
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Polyoxometalates: Synthesis and Applications
  • Layered Double Hydroxides Synthesis and Applications
  • Covalent Organic Framework Applications
  • Nanocluster Synthesis and Applications
  • Magnetism in coordination complexes
  • Phosphorus and nutrient management
  • Advanced Nanomaterials in Catalysis
  • Catalytic Processes in Materials Science
  • Carbon dioxide utilization in catalysis
  • Membrane Separation and Gas Transport
  • Catalytic C–H Functionalization Methods
  • Lanthanide and Transition Metal Complexes
  • Inorganic Fluorides and Related Compounds
  • Machine Learning in Materials Science
  • Catalytic Cross-Coupling Reactions
  • Chemical Synthesis and Reactions
  • Chemical Synthesis and Characterization
  • Catalysis for Biomass Conversion
  • X-ray Spectroscopy and Fluorescence Analysis
  • Asymmetric Hydrogenation and Catalysis
  • Nanomaterials for catalytic reactions
  • Advancements in Battery Materials

KU Leuven
2015-2023

Janssen (Belgium)
2023

Zdravstveni centar
2021

Institute of Catalysis and Petrochemistry
2017

A series of nine Ce(<sc>iv</sc>)-based metal organic frameworks with the UiO-66 structure containing linker molecules different sizes and functionalities were obtained under mild synthesis conditions short reaction times.

10.1039/c5cc02606g article EN cc-by Chemical Communications 2015-01-01

Over the past decade, zirconium-terephthalate UiO-66 has evolved into one of most intensely studied metal–organic frameworks (MOFs) to date. Among fascinating and pervasive features this material are defects, their influence on a multitude its properties. However, simultaneous occurrence two defect types, missing linkers nodes, limits extent which certain properties can be accurately matched framework's structure. In contribution, we present strategy unequivocally create linker defects in...

10.1021/acs.chemmater.7b04128 article EN Chemistry of Materials 2017-11-29

While titanium-based metal-organic frameworks (MOFs) have been widely studied for their (photo)catalytic potential, only a few TiIV MOFs reported owing to the high reactivity of employed titanium precursors. The synthesis COK-47 is now presented, first Ti carboxylate MOF based on sheets O6 octahedra, which can be synthesized with range different linkers. as an inherently defective nanoparticulate material, rendering it highly efficient catalyst oxidation thiophenes. Its structure was...

10.1002/anie.201904347 article EN Angewandte Chemie International Edition 2019-05-06

The introduction of Ce4+ as a structural cation has been shown to be promising route redox active metal-organic frameworks (MOFs). However, the mechanism by which these MOFs act catalysts remains unclear. Herein, we present detailed study site in [Ce6 O4 (OH)4 ]-based such Ce-UiO-66, involved aerobic oxidation benzyl alcohol, chosen model reaction. X-ray absorption spectroscopy (XAS) data confirm reduction up one ion per Ce6 cluster with corresponding outwards radial shift due larger radius...

10.1002/cphc.201700967 article EN ChemPhysChem 2017-10-13

Heterogeneous palladium single-site MOF catalysts for the oxidative coupling of arenes <italic>via</italic> C–H/C–H: superior TONs due to active site isolation.

10.1039/c8sc05510f article EN cc-by-nc Chemical Science 2019-01-01

A new precursor method using glycinate/nitrate capped Ce<sub>6</sub> clusters enables the synthesis of Ce(<sc>iv</sc>) MOFs with reactive linkers.

10.1039/c7cc08200b article EN Chemical Communications 2017-12-08

Modulator-mediated functionalization (MoFu) is introduced as a new and versatile platform tool to improve the separation performance of metal-organic framework (MOF)-based membranes, exemplified here by creation mixed-matrix membranes (MMMs) with enhanced CO2 efficiency. The unique structure MOF-808 allows incorporation CO2-philic modulators in MOF during one-pot synthesis procedure water, thus creating straightforward way functionalize both corresponding MMM. As proof concept, series...

10.1021/acsami.9b19774 article EN ACS Applied Materials & Interfaces 2019-11-05

Peptide bond hydrolysis catalyzed by NU-1000 MOF revealed key structural features that influence the catalytic performance of Zr<sub>6</sub>based MOFs.

10.1039/d0sc02136a article EN cc-by Chemical Science 2020-01-01

The catalytic activity of metal–organic frameworks (MOFs) toward peptides and proteins provides an attractive route for the development nanozymes applications in biotechnology proteomics, particularly field protein identification using mass spectrometry. Here, we report that carefully tuning Ce/Zr metal ratio is a promising strategy to overcome structural limitations originate from high connectivity Zr6 node also increase peptidase MOF while preserving material's nano-topology stability. A...

10.1021/acsanm.1c00546 article EN ACS Applied Nano Materials 2021-04-26

Stoichiometric proton-coupled electron transfer (PCET) reactions of the metal–organic framework (MOF) MIL-125, Ti8O8(OH)4(bdc)6 (bdc = terephthalate), are described. In presence UV light and 2-propanol, MIL-125 was photoreduced to a maximum 2(e–/H+) per Ti8 node. This stoichiometry shown by subsequent titration material with 2,4,6-tri-tert-butylphenoxyl radical. reaction occurred PCET give corresponding phenol original, oxidized MOF. The high level charging, independence charging amount...

10.1021/jacs.8b09120 article EN Journal of the American Chemical Society 2018-11-03

Abstract While titanium‐based metal–organic frameworks (MOFs) have been widely studied for their (photo)catalytic potential, only a few Ti IV MOFs reported owing to the high reactivity of employed titanium precursors. The synthesis COK‐47 is now presented, first carboxylate MOF based on sheets O 6 octahedra, which can be synthesized with range different linkers. as an inherently defective nanoparticulate material, rendering it highly efficient catalyst oxidation thiophenes. Its structure was...

10.1002/ange.201904347 article EN Angewandte Chemie 2019-05-06

Correlation of mixed-matrix membrane CO<sub>2</sub>/N<sub>2</sub> separation performance with the corresponding metal-organic framework (MOF) structural parameters shows that MOF CO<sub>2</sub> adsorption enthalpy is best predictor performance.

10.1039/d0ta10207e article EN Journal of Materials Chemistry A 2021-01-01

Abstract Metal–organic frameworks (MOFs) are emerging materials for luminescent and photochemical applications. Armed with femto to millisecond spectroscopies, fluorescence microscopy, the photobehaviors of two Ce‐based MOFs unravelled: Ce‐NU‐1000 Ce‐CAU‐24‐TBAPy. It is observed that both show ligand‐to‐cluster charge transfer reactions in ≈100 ≈70 fs Ce‐CAU‐24‐TBAPy, respectively. The formed separated states, resulting electron hole generation, recombine different times each MOF, being...

10.1002/advs.201901020 article EN cc-by Advanced Science 2019-07-31

Abstract The less polar phase of liquid–liquid extraction systems has been studied extensively for improving metal separations; however, the role more overlooked far too long. Herein, we investigate metals from a variety solvents and demonstrate that, influence on is so significant that many can be largely tuned, separations significantly enhanced by selecting suitable solvents. Furthermore, mechanism how affect proposed based comprehensive characterizations. method using in paves new...

10.1002/chem.201901800 article EN cc-by-nc Chemistry - A European Journal 2019-05-29

NO has been catalytically converted by Ce-UiO-66 and bimetallic Ce/Zr-CAU-24.

10.1039/c9cy02029b article EN Catalysis Science & Technology 2019-12-17

The functionality of the UiO-66(Zr) linkers affects number defects on Zr6 clusters, leading to differences in MOFs' Brønsted acidity, which promotes dehydration fructose into HMF.

10.1039/d0cy00638f article EN Catalysis Science & Technology 2020-01-01

Six different chiral and achiral alkane dicarboxylic C<sub>4</sub>-acids resulted in the formation of Ce(<sc>iv</sc>)-MOFs crystallizing three framework topologies.

10.1039/c9dt01542f article EN Dalton Transactions 2019-01-01

Molybdenum (Mo) is an essential plant micronutrient. Despite low Mo requirements, deficiencies are not uncommon and soluble fertilizers often applied. However, may result in poor use efficiency due to strong sorption (acid weathered soils) or leaching (lighter-textured soils). Here, ZnAl layered double hydroxides (LDHs), loaded with molybdate (MoO4), were examined for their potential as slow-release compounds. Chloride-exchanged LDHs varying Zn/Al ratios (2, 3, 4) exchanged MoO4. Zn2Al LDH...

10.1021/acs.jafc.1c06056 article EN Journal of Agricultural and Food Chemistry 2021-11-23

A novel approach for the analysis of extended X-ray absorption fine structure (EXAFS) spectra is developed exploiting an inverse machine learning-based algorithm. Through this approach, it possible to explore and account for, in a precise way, nonlinear geometry dependence photoelectron backscattering phases amplitudes single multiple scattering paths. In addition, determined parameters are directly related 3D atomic structure, without need use complex parametrization as classical fitting...

10.1021/acs.jpca.1c03746 article EN The Journal of Physical Chemistry A 2021-08-05

The occurrence of metal ion exchange in Zn3[Co(CN)6]2 and Cu3[Co(CN)6]2 Prussian blue analogues (Zn-Co Cu-Co PBAs) was demonstrated for the first time. While Cu(ii) easily occurs Zn-Co PBA, atoms PBA by Zn(ii) proved to be more difficult. At low medium loadings, catalytic activity exchanged PBAs A3 coupling reaction benzaldehyde, piperidine phenylacetylene higher than that bimetallic multi similar composition prepared co-precipitation. This result showcases benefits process as a preparation...

10.1039/c9dt00388f article EN cc-by-nc Dalton Transactions 2019-01-01

Pharmaceutical R&D is increasingly employing data-driven approaches with specialized process analytical technology (PAT) tools to develop processes efficiently and reliably. However, some unit operations are still developed based on human observations, which lack quantification objectivity require personnel attending the experiment. In this article, we demonstrate ease of using cameras provide data in nearly every operation. While applications basic advanced image analysis algorithms have...

10.1021/acs.oprd.3c00097 article EN Organic Process Research & Development 2023-07-05
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