Job title:
Multi-scale study of the diffusion of guest molecules in porous materials such as Metal-Organic-Frameworks (Diff-MOF)
Company:
Job description
Offer DescriptionCall for expression of interest descriptionThe is a highly prestigious renowned EU-funded scheme. It offers talented scientists a unique chance to set up 2-year research and training projects with the support of a supervising team. Besides providing an attractive grant, it represents a major opportunity to boost the career of promising researchers.Research laboratories in Brittany are thus looking for excellent postdoctoral researchers with an international profile to write a persuasive proposal to apply for a Marie S. Curie Postdoctoral Fellowship grant in 2024 (deadline of the EU call set on 11 September 2024). The topic and research team presented below have been identified in this regard.Main Research FieldChemistry (CHE)Research sub-field(s)Solid-state Chemistry, Inorganic chemistryKeywordsMetal-Organic Frameworks (MOFs), Porous material, Guest molecule, Diffusion, multi-scale, X-ray powder diffraction, Pulsed-field gradient solid state NMR (PFG NMR)Research project descriptionMetal-Organic-Frameworks (MOFs) are coordination compounds with organic ligands containing potential voids. These materials have been extensively studied over the last twenty years due to the variety and modularity of their crystalline architectures, their porosity and therefore their applications for the storage of molecules, purification, separation, catalysis and even the controlled release of active ingredients (5000 articles/year)1. Their very high porosity, which exceeds that of zeolites, makes them materials of interest for the storage of greenhouse gases (CO2, CH4) or H2 and more specifically the separation of molecules (for example CO2/CH4 and CO2/N2 in industrial post-combustion, CO2/CH4 and CO2/H2 for the production of biogas and H2, xylene isomers, etc.). While MOFs have been the subject of many publications, with a particular focus on adsorption, the diffusion of guest molecules within porous architectures is less studied. This information seems however essential to understand the dynamics of the storage process but also the selectivity processes.The postdoctoral project will consist in monitoring the movement of target guest molecules, which should depend on their size, quantity and interactions with MOF-type host architectures. The influence of several parameters on the diffusion of guest molecules through a porous solid, such as the rigid/flexible aspect or the functionalization of the MOF architecture, will be studied. Former experiments carried out at the Institute of Chemical Sciences in Rennes – France (ISCR) have demonstrated the relevance of the proposed approach. So far, we have concentrated our efforts on the diffusion of methanol in the flexible NH2-MIL-53(Al) MOF, which has a channel structure2,3,4. We wish to extend it, on one hand, to other host MOFs [rigid UiO-66(Zr), MOFs with giant pores like MIL-100&101(Al)] and, on another hand, to mixtures of alcohols or xylene isomers to investigate the separation process. The proposed material multi-scale analysis combines mainly powder X-ray diffraction (PXRD) and pulsed field gradient solid state NMR (1H PFG NMR). Molecular dynamics calculations will be carried out in collaboration with Prof. A. Ghoufi (Univ. Paris Est-Créteil, UPEC). This project is part of a partnership started a few years ago.In this context, Postdoctoral fellow will work on: the synthesis of MOFs by solvothermal or mechanochemical (green chemistry) routes; measurements of the PFG NMR spectra in order to extract the diffusion coefficients of guest molecules; in situ investigation of the structural transitions carried out by PXRD including Rietveld refinements and microstructure of the materials by X-ray diffraction line profiles analysis. These different experiments will be coupled with molecular simulation calculations and will make it possible to rank the parameters governing the diffusion of guest molecules confined in a porous host structure by taking into account in a complementary way the phenomena occurring at the crystallite scale (100-1000 nm) and at the grain scale (µm). This project should lead to develop a hybrid tool capable of simultaneously taking into account the flexibility of MOFs and the adsorption process. This work could thus make it possible to predict the behaviour of materials under stress.1Chem. Soc. Rev. 2014, Special issue, vol. 162 Couck, S., Denayer, J.F.M., Baron, G.V., Rémi, T., Gascon, J., Kapteijn, F., J. Am. Chem. Soc., 2009, 131, 6326-63273 Boule, R., Roiland C., Le Pollès L ., Audebrand N., Ghoufi, A., Nanomaterials, 2018, 8, 351, 1-104 Boule, R., Roiland C., Bataille T., Le Pollès L ., Audebrand N., Ghoufi, A., J. Phys. Chem. Lett., 2019, 10, 1698-1708Supervisor(s)The Postdoctoral Fellow will be supervised by Prof. Nathalie Audebrand, Dr. Claire Roiland and Dr. Thierry Bataille, all members of ISCR.Prof. Nathalie Audebrand (
100 articles, 2 patents), which has been involved for many years in the synthesis and structural characterization of MOFs5 and in microstructural characterization of nanocrystalline materials6, has served as Vice-President of the French Crystallography Association (2013-2016) and as member of program committees of synchrotron beam-lines at SOLEIL and CRG-ESRF (2008-2018).Dr. T. Bataille (CNRS Researcher,
90 articles) has a long experience in crystallography and solid state reactivity. He is mainly involved in structural characterization from PXRD including in-situ or operando conditions, in particular to study phase transitions7,8.Dr, Claire Roiland (CNRS Research Engineer,
50 articles) has a strong expertise in material characterization by solid-state NMR (EXSY) and PFG NMR 3,4,9.5 F. Moreau et al., CrytEngComm, 2020, 22, 293-3036 (a) N. Audebrand et al., Chem. Mater., 2000, 12, 1791-1799. (b) R. Gautier et al., Dalton Trans., 2013, 42, 8124-8131. (c) D. Louër, N. Audebrand, Advances in X-ray Analysis, 1999, 41, 556-565.7 T. Loiseau et al., Chem. Eur. J., 2004, 10, 1373-1382.8 T. Bataille, et al., Polyhedron, 2019, 164, 123-131.9 R. Boulé et al. Solid State Nuclear Magnetic Resonance, 2019, 104, 101623.Department/ResearchThe ambition of ISCR is to conduct top-level research in its core business: the design, the synthesis and the characterization of molecules and functional materials. The research fields cover a wide range of applications: health & well-being, sustainable chemistry and processes, environment, energy, optics and photonics, electronics and molecular materials. ( )The team Solid State Chemistry and Materials (CSM) activities covers a continuum from fundamental to applied research. It deals with the research of new materials (in particular: metal atom clusters, rare-earth based hybrid materials, oxo-anions and oxides) and their integration in devices. This team develops a strong expertise and know-how in inorganic and organic syntheses, engineering & crystal chemistry of thin films and multiscale characterizations. Beyond new fundamental knowledge, this research aims to tackle actual societal challenges in the fields of energy storage and conversion, optics, microelectronics, environment and biotechnologies.( )The equipments needed to carry out the project are all available within ISCR: reactors for solvothermal and microwave syntheses, ball mills for mechanochemical synthesis within the CSM team, X-ray powder diffractometers for data collection under ambient conditions and under controlled temperatures and atmospheres within the CSM team, NMR spectrometers equiped with PFG amplifier and probe, etc. ( ).LocationRennes, on the Beaulieu Campus at INSA Rennes and ENSCRSuggestion for interdisciplinary / intersectoral secondments and placementsNo secondment nor placement is proposed.RequirementsResearch Field Chemistry Education Level PhD or equivalentSkills/QualificationsSkills required cover chemical synthesis (inorganic synthesis in solid state), structural characterization of materials (powder X-ray diffraction or solid state NMR). The knowledge of molecular modelling would be a benefit but is not a prerequisite. A keen interest in experimental work is essential.A good level of written and spoken English is mandatory.The candidate should be 1st author of at least have 1 publication per year since the PhD.Languages ENGLISH Level GoodAdditional InformationEligibility criteriaAcademic qualification: By 11 September 2024, applicants must bein possession of a doctoral degree, defined as a successfully defended doctoral thesis, even if the doctoral degree has yet to be awarded.Research experience: Applicants must have a maximum of 8 years full-time equivalent experience in research, measured from the date applicants were in possession of a doctoral degree. Years of experience outside research and career breaks (e.g. due to parental leave), will not be taken into account.Nationality & Mobility rules:Applicants can be of any nationality but must not have resided more than 12 months in France in the 36 months immediately prior to the MSCA-PF call deadline on 11 September 2024.Selection processWe encourage all motivated and eligible postdoctoral researchers to send their expressions of interest through the EU Survey application form ( ), before 5th of May 2024. Your application shall include:
- a CV specifying: (i) the exact dates for each position and its location (country) and (ii) a list of publications;
- a cover letter including a research outline (up to 2 pages) identifying the research synergies with the project supervisor(s) and proposed research topics described above.
Estimated timetableDeadline for sending an expression of interest5th May 2024Selection of the most promising application(s)May – June 2024Writing the MSCA-PF proposal with the support of the above-mentioned supervisor(s)June – September 2024MSCA-PF 2024 call deadline11th September 2024Publication of the MSCA-PF evaluation resultsFebruary 2025Start of the MSCA-PF project (if funded)May 2025 (at the earliest)Website for additional job detailsWork Location(s)Number of offers available 1 Company/Institute Institut des Sciences Chimiques de Rennes – UMR CNRS 6226 Country France City Rennes Postal Code 35042 Street 263 avenue Général Leclerc GeofieldWhere to apply WebsiteContact CityRennes WebsiteStreet263 avenue Général Leclerc Postal Code35042 E-Mail[email protected]STATUS: EXPIRED
Expected salary
Location
Rennes, Ille-et-Vilaine
Job date
Sun, 31 Mar 2024 00:29:11 GMT
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