A5081645035- Metal-Organic Frameworks: Synthesis and Applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Covalent Organic Framework Applications
- Clay minerals and soil interactions
- Magnetism in coordination complexes
- Soil and Unsaturated Flow
- Crystallography and molecular interactions
- Chemical Synthesis and Characterization
- Nanoplatforms for cancer theranostics
- Layered Double Hydroxides Synthesis and Applications
- Zeolite Catalysis and Synthesis
- Lanthanide and Transition Metal Complexes
- Carbon Dioxide Capture Technologies
- Advanced Photocatalysis Techniques
- Phase Change Materials Research
- Iron oxide chemistry and applications
- Adsorption and Cooling Systems
- Adsorption and biosorption for pollutant removal
- Luminescence and Fluorescent Materials
- MXene and MAX Phase Materials
- Advanced Battery Materials and Technologies
- Electron Spin Resonance Studies
- Nanocluster Synthesis and Applications
- Fuel Cells and Related Materials
École Nationale Supérieure de Chimie de Montpellier
2015-2025
Université de Montpellier
2016-2025
Centre National de la Recherche Scientifique
2016-2025
Institut de Chimie
2013-2024
Institut Charles Gerhardt Montpellier
2015-2024
Centre National pour la Recherche Scientifique et Technique (CNRST)
2023
Centre Occitanie-Montpellier
2019-2020
Interface (United States)
2019
Institut Européen des Membranes
2015
Direction des énergies
2009-2010
The synthesis on the gram scale and characterization of a series flexible functionalized iron terephthalate MIL-53(Fe) type solids are reported. Chemical groups various polarities, hydrophilicities, acidities (-Cl, -Br, -CF(3), -CH(3), -NH(2), -OH, -CO(2)H) were introduced through aromatic linker, to systematically modify pore surface. X-ray powder diffraction (XRPD), molecular simulations, thermogravimetric analyses, in situ IR (57)Fe Mössbauer spectrometries indicate some similarities with...
A series of organically modified iron(III) terephthalate MIL-88B and 4,4′-biphenyl dicarboxylate MIL-88D flexible solids have been synthesized characterized through a combination X-ray diffraction, IR spectroscopy, thermal analysis (MIL stands for Material from Institut Lavoisier). The swelling amplitude the highly MOFs tuned by introducing functional groups onto phenyl rings shows clear dependence on steric hindrance number per aromatic ring. For instance, while introduction four methyl...
Use the Force: A force field for MIL-53(Cr) framework was derived and validated by molecular dynamics simulations. This approach allows "breathing" of in presence CO2 to be captured gives insight into structural switching mechanism from a narrow- large-pore form (see picture). can used directly studies many guest molecules and, with minimum adjustment, other MOF systems.
Active and inexpensive catalysts for oxygen reduction are crucially needed the widespread development of polymer electrolyte fuel cells metal-air batteries. While iron-nitrogen-carbon materials pyrolytically prepared from ZIF-8, a specific zeolitic imidazolate framework (ZIF) with sodalite topology, have shown enhanced activities toward in acidic electrolyte, rational design sacrificial metal-organic frameworks this application has hitherto remained elusive. Here, we report first time that...
Atmungsaktiv: Mithilfe von Moleküldynamiksimulationen wurde ein Kraftfeld für das MIL-53(Cr)-Gerüst erstellt und validiert. Dieser Ansatz gibt einen Einblick in die "Atmung" des Gerüsts Gegenwart CO2 den Mechanismus der Umschaltung einer engporigen zu weitporigen Struktur (siehe Bild). Dieses lässt sich direkt bei Untersuchungen Vielzahl an Gastmolekülen (mit nur geringen Anpassungen) anderer MOF-Systeme anwenden.
A variety of spectroscopic techniques combined with in situ pressure-controlled X-ray diffraction and molecular simulations have been utilized to characterize the five-step phase transition observed upon N2 adsorption within high-surface area metal−organic framework Co(BDP) (BDP2− = 1,4-benzenedipyrozolate). The computationally assisted structure determinations reveal structural changes involving orientation benzene rings relative pyrazolate rings, dihedral angles for bound at metal centers,...
Channel tunnel: Diffusion of methane in the metal–organic frameworks MIL-53(Cr) and MIL-47(V) was elucidated by quasi-elastic neutron scattering molecular dynamics simulation, 1D diffusion CH4 along channels found both materials. The self-diffusivity at low loading is very large, more than one order magnitude higher zeolites. picture shows molecules a channel. Supporting information for this article available on WWW under http://www.wiley-vch.de/contents/jc_2002/2008/z801748_s.pdf or from...
Quasi-elastic neutron scattering (QENS) measurements combined with molecular dynamics (MD) simulations were conducted to deeply understand the concentration dependence of self- and transport diffusivities CH(4) CO(2), respectively, in humidity-resistant metal-organic framework UiO-66(Zr). The QENS show that self-diffusivity profile for exhibits a maximum, while diffusivity CO(2) increases continuously at loadings explored this study. Our MD can reproduce fairly well both magnitude each...
Although metal–organic frameworks (MOFs) have widely demonstrated their convenient performances as drug-delivery systems, there is still work to do fully understand the drug incorporation/delivery processes from these materials. In this work, a combined experimental and computational investigation of main structural physicochemical parameters driving adsorption/desorption kinetics was carried out. Two model drugs (aspirin ibuprofen) three water-stable, biocompatible MOFs (MIL-100(Fe),...
Prior to envisage any implication of metal–organic framework (MOF) materials in industrial applications such as gas storage/separation, it is primary importance examine beyond their stability under humidity, the interactions between water and MOF surfaces. Regarding type MIL-53(Cr), situation becomes more complex due breathing its structure upon adsorption that induces a structural transition narrow pore (NP) large (LP) forms. The resulting shrinkage/reopening leads crucial modifications...
Nanometric biocompatible Metal-Organic Frameworks (nanoMOFs) are promising candidates for drug delivery. Up to now, most studies have targeted the intravenous route, related pain and severe complications; whereas nanoMOFs oral administration, a commonly used non-invasive simpler remains however unexplored. We propose here biofriendly preparation of suitable nanocarrier based on benchmarked mesoporous iron(III) trimesate nanoparticles coated with bioadhesive polysaccharide chitosan (CS). This...
In the context of depollution and textile wastewater treatment, sorption-based processes are good candidates to achieve efficient removal such toxics substances as dyes. present study, exchange–adsorption from aqueous solutions three azoic dyes, Methyl Orange (MO), II (OII), G (OG), onto Mg–Al–LDH–NO3 layered double hydroxides (LDH, molar Mg:Al ratio 2) was investigated through monitoring all retained removed species in combination with direct calorimetry X-ray diffraction measurements....
The adsorption of CO2 by a series functionalized flexible MIL-53(Fe) solids has been evaluated through combination in situ X-ray power diffraction, calorimetry, IR spectroscopy and computer modelling. It appears that (i) strongly polar groups maintain the nonporous structure its closed form due to strong intra-framework interactions (ii) less functional allow only modulation CO2–framework interactions, some cases with disappearance initial μ2-OH⋯X hydrogen bonds, but do not interact directly...
It's all in the mix! Metal–organic frameworks (MOFs) were constructed from iron(III) trimers and mixtures of di- tricarboxylate linkers. The dicarboxylate linker determined size shape pores one series materials with an interwoven structure also enabled introduction different functionalities. Another mesoporous MOF based on hybrid supertetrahedra had extended β-cristobalite (see picture).
A series of nanometric isoreticular and/or functionalized analogues the mesoporous environmentally-friendly iron(III) polycarboxylates MIL-100/101 have been successfully synthesized. Their exceptional pore size, up to 68 Å, together with their relatively good stability in solvents, makes them promising candidates for heterogeneous catalysis or inclusion large molecules, among others.
The diffusion mechanism of CO2 in the highly flexible metal–organic framework MIL-53(Cr) (see picture), which undergoes a structural transition between large- and narrow-pore forms, was explored by combination quasi-elastic neutron scattering measurements molecular dynamics simulations. Normal one-dimensional large-pore form single-file were evidenced. Detailed facts importance to specialist readers are published as "Supporting Information". Such documents peer-reviewed, but not copy-edited...
Quasi-elastic neutron scattering measurements are combined with molecular dynamics simulations to determine the self-diffusivity, corrected diffusivity, and transport diffusivity of CO2 in metal−organic framework MIL-47(V) (MIL = Materials Institut Lavoisier) over a wide range loading. The force field used for describing host/guest interactions is first validated on thermodynamics MIL-47(V)/CO2 system, prior being transferred investigations dynamics. A decreasing profile then deduced Ds Do...
Quasielastic neutron scattering measurements are combined with molecular dynamics simulations to extract the self-diffusion coefficient of hydrogen in metal organic frameworks MIL-47(V) and MIL-53(Cr). We find that diffusivity at low loading is about 2 orders magnitude higher than zeolites. Such a high mobility has never been experimentally observed before any nanoporous materials, although it was predicted carbon nanotubes. Either 1D or 3D diffusion mechanisms elucidated depending on...
The three-dimensional (3D) microporous titanium aminoterephthalate MIL-125-NH2 (MIL: Material of Institut Lavoisier) was successfully isolated as monodispersed nanoparticles, which are compatible with intravenous administration, by using a simple, safe and low-cost synthetic approach (100 °C/32 h under atmospheric pressure) so that for the first time it could be considered encapsulation release drugs. nerve agent antidote 2-[(hydroxyimino)methyl]-1-methyl-pyridinium chloride (2-PAM or...
The synthesis, structures, magnetic and luminescence (including thermometry) properties of a series three-blade propeller homoleptic lanthanide complexes are reported.
Luminescent thermometry allows the remote detection of temperature and holds great potential in future technological applications which conventional systems could not operate. Complementary approaches to measuring aiming enhance thermal sensitivity would however represent a decisive step forward. For first time, we demonstrate proof-of-concept that luminescence be associated with complementary readout related different property. Namely, propose take advantage dependence both magnetic...
Quasi-elastic neutron scattering measurements are combined with molecular dynamics simulations to determine the self-diffusivity (Ds) profile of hydrogen in metal organic framework materials MIL-47(V) and MIL-53(Cr) (MIL, Materials Institut Lavoisier) as a function loading. Experimentally, sudden increase Ds for H2 at low loading (≤1 H2/unit cell) was observed values least two orders magnitude higher than zeolites. This unusual behavior has been denoted "super-mobility". Here, different...