The techniques include advanced analytical techniques, analytical transmission electron microscopy, electron crystallography, Neutron and X-ray crystallography, Solid state NMR, Raman, luminenscence and fluoresence spectroscopy. We also develop methods for multiscale modelling.

• Advanced analytical techniques for materials, environment and health
• Electron crystallography and analytical TEM
• Neutron and X-ray crystallography
• Solid state NMR and optical spectroscopy
• Multi-scale/Computational modelling

Advanced analytical techniques for materials, environment and health

Analytical chemistry research at MMK comprises development of analytical methods and techniques for qualitative and quantitative determination of organic compounds and biomolecules relevant to human health and the environment, as well as characterization of materials.

The research topics embrace the entire analytical chain, including subjects such as sampling techniques, sample preparation, separation science, mass spectrometry, ionization techniques, as well as detection methods and data processing tools.

Electron crystallography and analytical TEM

We develop new methods for studying composition and atomic arrangements in solids using state-of-the-art transmission electron microscopes. The techniques include continuous rotation electron diffraction (cRED), scanning electron diffraction, high-resolution (scanning) transmission electron microscopy (S)TEM, electron energy loss spectroscopy (EELS).

We push the limitations boundaries of current techniques for structural characterization from micro- to nano-crystals, from crystalline to amorphous materials, from zeolites and metal-organic frameworks to pharmaceutics and proteins. Our strong competences in structural characterization by electron crystallography and analytical TEM provide unique strengths in discovering new materials, and fundamental understanding of the relationship between structure and properties. 

Neutron and X-ray crystallography

X-ray and neutron diffraction are complementary tools for characterizing the atomic and molecular structure of crystalline materials, with neutrons adding the possibility of distinguishing isotopes and studying magnetic structure. Both techniques are widely used in research projects at MMK, and topics include the elucidation of hydrogen atom arrangements in metal hydrides and hydrogen-bond structures in hydroxides and hydrates, as well as the determination of complex magnetic structures of intermetallic compounds and framework materials.

Solid state NMR and optical spectroscopy

Solid-state nuclear magnetic resonance (NMR) spectroscopy is a key tool for the characterisation of the structure and dynamics of a broad range of systems in materials science, chemistry, and biology.  

This technique is element specific, in that it is used to probe specific isotopes of certain elements, either in isolation or in combination, and so provides information on the local, or atomic, environments of these atoms, including details on the local electronic structure, bonding, and spatial proximities. Therefore, solid-state NMR is the method of choice for probing systems that exhibit structural or compositional disorder, defects, and dynamic behaviour, in addition to those with microcrystalline structures.

Research at MMK focusses on the development of new solid-state NMR spectroscopic methods and their application to a broad range of materials including battery materials, solid-state lighting phosphors, catalysts, topological insulators, porous materials, glasses, and cements. Here, the emphasis on the development of new methods means that MMK has access not only to the state-of-the-art techniques, but also to many new methods that are in development and yet to be included in commercial systems. This makes solid-state NMR at MMK particularly well placed to answer the pertinent structural questions posed by each new material.

Multi-scale/Computational modelling

We develop multiscale modeling methods ranging from fully atomistic ab-initio simulations to modeling of mesoscale structures formed by biological macromolecules and nanoparticles.

Particular emphasis is given to the interconnection of different levels of modeling, where for example force field for molecular dynamics simulations is parametrized from ab-initio computations, and then further used to parametrize coarse-grained models for mesoscale simulations. The developed methods and associated software is used for modeling and characterization of various  biomolecular and soft-matter systems.