Gérald Chaplais

ORCID: 0000-0003-2756-4896
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About
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Research Areas
  • Metal-Organic Frameworks: Synthesis and Applications
  • X-ray Diffraction in Crystallography
  • Zeolite Catalysis and Synthesis
  • Crystallization and Solubility Studies
  • Chemical Synthesis and Characterization
  • Catalytic Processes in Materials Science
  • Magnetism in coordination complexes
  • Crystallography and molecular interactions
  • Covalent Organic Framework Applications
  • Energetic Materials and Combustion
  • MXene and MAX Phase Materials
  • Advanced NMR Techniques and Applications
  • Mesoporous Materials and Catalysis
  • Boron and Carbon Nanomaterials Research
  • Semiconductor materials and devices
  • Membrane Separation and Gas Transport
  • Synthesis and characterization of novel inorganic/organometallic compounds
  • GaN-based semiconductor devices and materials
  • ZnO doping and properties
  • Advanced ceramic materials synthesis
  • Radioactive element chemistry and processing
  • Inorganic Fluorides and Related Compounds
  • Ga2O3 and related materials
  • Catalysis and Oxidation Reactions
  • Polyoxometalates: Synthesis and Applications

Université de Strasbourg
2015-2025

Université de Haute-Alsace
2014-2025

Centre National de la Recherche Scientifique
2013-2024

Institut de Sciences des Matériaux de Mulhouse
2009-2022

Laboratoire de Photochimie et d'Ingénierie Macromoléculaire
2008

École Nationale Supérieure de Chimie de Montpellier
2008

Max-Planck-Institut für Kohlenforschung
2003-2004

TU Dresden
2004

Max Planck Society
2002-2003

Laboratoire de Chimie Moléculaire
2000-2003

Experimental measurements and molecular simulations were conducted for two zeolitic imidazolate frameworks, ZIF-8 ZIF-76. The transferability of the force field was tested by comparing simulation results gas adsorption with experimental data available in literature other ZIF materials (ZIF-69). Owing to good agreement observed between data, can be used identify preferential sites, which are located close organic linkers. Topological mapping potential-energy surfaces makes it possible relate...

10.1002/chem.200902144 article EN Chemistry - A European Journal 2009-12-08

The objective of this work was to study the adsorption and separation most important families hydrocarbon compounds on metal-organic frameworks (MOFs), in comparison with zeolites. For purpose, we have selected four probe molecules, each them representing one these families, i.e., o- p-xylene as aromatics, 1-octene an alkene, n-octane alkane. molecules studied by binary breakthrough experiments. To represent large diversity MOF structures, experiments were carried out (i) two MOFs...

10.1021/ja211864w article EN Journal of the American Chemical Society 2012-03-07

The separation of paraffin isomers is a very important topic in the petrochemical industry. Zeolite 5A industrially used to sieve alkane isomers, but its pore size does not allow monobranched and dibranched alkanes by kinetic mechanism. In this publication, we compare three ZIF materials C6-paraffin isomers: ZIF-8, ZIF-76, new material called IM-22. performance evaluated breakthrough curve binary mixtures n-hexane, 3-methylpentane, 2,2-dimethylbutane. We show that ZIF-8 attractive...

10.1021/ie202995g article EN Industrial & Engineering Chemistry Research 2012-03-05

Current European regulations limit the sulfur content of gasoline to 10 ppmw. Such deep desulfurization levels can be achieved by catalytic hydrodesulfurization processes, but they are accompanied excessive H2 consumption for unwanted side reactions, in particular, hydrogenation olefins. Selective adsorption constitutes an attractive alternative desulfurization. The main challenge is find adsorbents able remove compounds with very high selectivity from a complex mixture paraffins,...

10.1021/ef300762z article EN Energy & Fuels 2012-07-06

The "ZIF-8–water" system displays reproducible shock-absorber behaviour over several cycles with a stored energy of 13.3 J g−1 and an yield close to 85%. combination the main features evidenced for ZIF-8, i.e. quite low intrusion pressure high energy, opens field new applications.

10.1039/c3cp00142c article EN Physical Chemistry Chemical Physics 2013-01-01

The separation of xylene isomers is one the most difficult separations in petrochemistry. Adsorbents have to preferentially adsorb para or meta isomers, but there are only a few zeolites which fulfill criteria selectivity and adsorption capacity. In this study, we evaluate two metal–organic frameworks (MOF) with coordinatively unsaturated metal sites (cus), i.e., CPO-27-Ni HKUST-1, p-xylene, m-xylene, o-xylene gas phase. results compared those zeolite NaY. HKUST-1 both ortho-selective...

10.1021/jp306828x article EN The Journal of Physical Chemistry C 2012-09-25

A chemical approach to high surface area titanium nitride based materials is presented using a ligand-assisted ammonolysis reaction of solid TiCl4 complexes at 973 K. The specific the ranges from 37 230 m2 g−1 depending on precursor and higher as compared with conventional gas phase solvent routes. shape nitrogen physisorption isotherms varies significantly choice indicating effective morphology control particles. are further characterised TEM, CP/MAS NMR, elemental analyses X-ray powder...

10.1039/b209685d article EN Journal of Materials Chemistry 2003-01-01

Run of the MIL: In contrast to MIL-53(Al), IM-19 (MIL-53 (Ga)) is extremely active and selective for alkylation aromatics. The reaction proceeds through protonation aromatic substrate. CO adsorption molecular modeling show that bridging μ2-OH exhibits stronger Brønsted-type acidity than does MIL-53(Al).

10.1002/cctc.201000055 article EN ChemCatChem 2010-09-13

We report a structural and thermodynamic investigation of the phase behavior Ga(OH,F)-MIL-53, gallium-based metal–organic framework (MOF) having MIL-53 topology containing 0.7 wt % fluorine bonded to metal. Despite some small differences, especially for hydrated form, overall physical chemistry Ga(OH,F)-MIL-53 is very similar standard free Ga-MIL-53 material. A combination in situ X-ray diffraction, Fourier transform infrared spectroscopy, differential scanning calorimetry, heat capacity...

10.1021/jp312179e article EN The Journal of Physical Chemistry C 2013-03-28

Understanding the adsorption of water in metal–organic frameworks (MOF), and particularly soft porous crystals, is a crucial prerequisite before considering MOFs for industrial applications. We report here joint experimental theoretical study on behavior gallium-based breathing MOF, Ga-MIL-53, upon adsorption. By looking at energetics thermodynamics we demonstrate why it behaves differently from its sibling Al-MIL-53, showing different phase room temperature (a nonporous phase) presence...

10.1021/jp412433a article EN The Journal of Physical Chemistry C 2014-02-21

We have evidenced that both morphological components (<italic>i.e.</italic>, the shape and size) of ZIF-8 crystals impact its energetic performances.

10.1039/c5ra02636a article EN RSC Advances 2015-01-01

Metal–organic materials (MOFs) constitute very attractive for storage, separation, catalysis, and drug delivery because of their crystalline hybrid organic–inorganic structures large porous volume. Here, we report the energetic behavior, in term storage/restoration mechanical energy, ZIF-8 upon high pressure intrusion–extrusion aqueous KCl, LiCl, NaCl solutions variable concentration. Comparison with performances "ZIF-8–water" system is performed. Whatever nature electrolyte (KCl, NaCl), an...

10.1021/jp412354f article EN The Journal of Physical Chemistry C 2014-03-13

The energetic performances of various ZIFs with SOD or RHO topology were evaluated by water intrusion–extrusion experiments under high pressure. effects the metal cation nature, type linker and are discussed.

10.1039/c5dt03486h article EN Dalton Transactions 2016-01-01

Aluminum based Metal-Organic Frameworks (MOFs) have emerged as versatile materials with applications in gas and vapor storage, catalysis, separation. Among these, aluminum fumarate known MOF A520 or MIL-53(Al)_Fu...

10.1039/d5nj00496a article EN New Journal of Chemistry 2025-01-01

The synthesis of ZIF-25 was successfully optimized by using acetic acid as a modulator agent, yielding highly crystalline material. product exhibits significant porosity, thermal stability up to 300 °C, and hydrophobicity, making it ideal for use in lyophobic heterogeneous systems (LHSs). Notably, the crystal structure refined first time Rietveld method fully reported space group Pm3̅m. Energetic performance evaluation intrusion–extrusion experiments shows that "ZIF-25–water" system...

10.1021/acs.jpcc.4c08459 article EN The Journal of Physical Chemistry C 2025-02-25

High pressure intrusion-extrusion of water and aqueous salt solutions in hydrophobic porous solids such as pure silica zeolites (zeosils) is a promising way to absorb store mechanical energy. The...

10.1039/d5cp00540j article EN Physical Chemistry Chemical Physics 2025-01-01

Five metal-organic frameworks (MOFs) based on the same three-dimensional gallium terephthalate network (IM-19) are described, and an incommensurate structure (for as-synthesized form) as well two remarkable guest-free polymorphs (open closed) highlighted.

10.1039/b822163d article EN Physical Chemistry Chemical Physics 2009-01-01

Intrusion–extrusion experiments of water as well electrolyte solutions (KCl 1 and 4 M) under high pressure were performed in metal–organic framework ZIF-71 (RHO-type structure) order to study the performances this system energy absorption storage. The experimental results reveal that "ZIF-71–water" displays a perfect shock-absorber behavior, reproducible over several cycles. With new studied system, stored (25.5 J g–1) is almost doubled compared measured recently for "ZIF-8–water" (13.3...

10.1021/jp505484x article EN The Journal of Physical Chemistry C 2014-08-22

Zeolitic Imidazolate Frameworks (ZIFs) represent a thriving subclass of metal–organic frameworks (MOFs) owing to the large variety their topologies, which some them are common with zeolites, and ability modulate chemistry as well hydrophobicity/hydrophilicity balance, making perfect examples isoreticular concept. One peculiar structural feature ZIFs is potential for transitions by rotation (or swing) linkers under external stimuli (guest adsorption, mechanical constraints, etc.). This...

10.1021/acs.jpcc.8b08706 article EN The Journal of Physical Chemistry C 2018-10-30

High-pressure intrusion–extrusion experiments of water in hydrophobic zeolitic imidazolate framework (ZIF-8) were performed by two techniques: porosimetry and manometry coupled with calorimetry measurement. This study focuses on the variation experimental duration (3–900 h) for both techniques order to impacts this parameter energetic performance a "ZIF-8–water" system stability ZIF-8. Prior performing intrusion measurements, tests have been conducted highlight that mechanical compression at...

10.1021/acs.jpcc.3c04290 article EN The Journal of Physical Chemistry C 2023-08-22

Metal−organic framework-type Al-, Ga-, and Ga(OH,F)-MIL-53 have been characterized by solid-state NMR powder X-ray diffraction (PXRD). 1H 2D double-quantum–single-quantum (DQ–SQ) magic angle spinning (MAS) experiments unambiguously evidence two inequivalent water molecules in Al-MIL-53_np_H2O. A careful reinvestigation of the XRD structure hydrated Al-MIL-53 proves, for first time, doubling unit cell supporting presence molecules. One type molecule is located channel, interacting with...

10.1021/jp505893s article EN The Journal of Physical Chemistry C 2014-09-03
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