This project is embedded in the research of NMRCoRe, the NMR/X-RAY platform for Convergence Research, international research infrastructure and infrastructure hub of the international Center for Molecular Water Science (CMWS; https://www.cmws-hamburg.de/).
NMRCoRe – the NMR/X-ray platform for Convergence Research – revolves around the idea of ‘convergence research‘, integrating knowledge, methods, and expertise from multiple disciplines to catalyze scientific discovery and enable development of solutions to complex, interlinked societal and technological challenges in the fields of ‘Energy’, ‘Water’, ‘Environment’ as well as ‘Health and Food’ research. Its key focus is the description of material structure and properties on a molecular level. The facility was founded to uniquely complement NMR facilities across Europe and has been designed and optimized to create an ultra-stable environment for ultra-high resolution NMR spectroscopy, with a focus on in situ investigation of porous materials and adsorbed molecules.
The PhD mandate is part of the CMWS research program and you will have the opportunity for secondments at the National High Field Magnetic Laboratory in Tallahassee and at the DESY light source in Hamburg.
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Project
Hydrogen storage and transportation is the main technological bottleneck preventing widespread implementation of hydrogen as sustainable energy vector. Hydrogen hydrates exhibit great potential for compact energy storage of hydrogen, even though the extreme pressure and temperature conditions required for their formation in bulk, has impeded practical application. Hydrophobic nanoscale confinement of water altering the structure and H-bonding network of water have been demonstrated to assist formation of hydrogen clathrates at much milder pressures and temperatures, and by tuning surface chemistry and porosity of the confining material, excellent hydrogen storage capacities have been predicted.
Both for the development nano-confined of hydrogen hydrate storage systems and for fundamental studies of nano-confined water, the combination of materials tailored to provide the optimal nano-confinement with in situ static and magic angle spinning (MAS) 1D and 2D NMR spectroscopy and X-Ray scattering, provides the way forward.
The overall goal of the project is to investigate water and water/hydrogen mixtures in hydrophobic nano-confinement using in situ multinuclear 1D and 2D NMR and X-ray/DRS methods to obtain novel scientific insights into the molecular organization of confined water, ice and hydrogen clathrate hydrate. The hydrophobic nano-confinement will be provided by periodic mesoporous organosilica host materials specifically synthesized for this project. The overarching goals are to identify the properties of the nano-confinement (pore size, shape and functionality) providing either enhanced stability of hydrogen clathrates or providing access to the so-called “No man’s land”, and to create a toolbox of NMR methods and infrastructure to routinely provide in situ static and magic angle spinning (MAS) 1H and 2D NMR spectroscopy of confined water.
Profile
■ You hold a Master degree in bio-engineering, chemistry, physics or can demonstrate relevant experience
■ You are familiar with the theory and preferably practical aspect of NMR and dielectric relaxation spectroscopy, with a natural affinity for data analysis and scientific programming
■ You are familiar with advanced electronic and RF circuit analysis
■ You can demonstrate experience in scientific programming (Python, MATLAB, etc.) and data analysis
■ You are a team player
■ You are fluent in English, both orally and written
■ Taking initiative comes natural to you
■ You can demonstrate thorough knowledge of Microsoft Word, Excel and PowerPoint
■ Thorough knowledge of Sharepoint workflows is a plus
■ You have experience working with MATLAB, Origin, IgorPro,..
Offer
- A 4-year, fully funded PhD position in a stimulating multi-national environment
- The option to obtain a dual doctorate, shared between KU Leuven and the University of Hamburg and/or Florida State University
- The opportunity to be part of multiple large-scale international infrastructures including NMRCoRe (KU Leuven, Leuven, BE), PETRA (DESY, Hamburg, DE), NHFML (FSU, Tallahassee, US)
- We offer to train you in advanced NMR spectroscopy in the context renewable energy storage, molecular water science and nano-confined water
NMRCoRe
Center For Molecular Water Science
National High Field Magnetic Laboratory
Interested?
For more information please contact Dr. Eric Breynaert, tel.: +32 16 32 15 98, mail: eric.breynaert@kuleuven.be.
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