RESEARCH GROUPS

Crystallography and X-Ray Diffraction

Structural crystallography, X-ray diffraction and advanced diffraction methods for understanding materials structure, properties and function.

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Crystallography for advanced materials research

The Crystallography and X-Ray Diffraction group explores, understands and develops strongly correlated and structurally complex materials by combining crystallography, X-ray diffraction and advanced diffraction methodologies.

The group works on crystal structure determination, structure-property relationships, electron diffraction data analysis, surface crystallography and synchrotron-based techniques for low-dimensional and nanostructured materials.

Its research also extends to nanocomposite porous materials, functionalized aerogels, Mössbauer spectroscopy instrumentation and materials for catalysis, magnetic imaging, drug delivery and gas purification.

Research challenges

The group connects advanced structural determination with functional materials design, from crystal structures and surfaces to nanostructured porous systems.

Crystal structure determination

Development and application of methods for determining complex crystal structures, including powder diffraction and electron diffraction data.

Structure-property relationships

Understanding how atomic arrangement, defects, surfaces and interactions determine the functional behaviour of materials.

Synchrotron and microdiffraction methods

Development and use of advanced X-ray diffraction approaches, including through-the-substrate microdiffraction integrated at ALBA Synchrotron.

Porous and nanocomposite materials

Preparation and characterization of functionalized aerogels and nanocomposite porous materials for catalysis and advanced applications.

Main research areas

Research activity combines structural crystallography, diffraction method development, synchrotron radiation, surface science and advanced porous materials.

Structural crystallography

Crystal structure determination, Patterson search methods and phase refinement algorithms for complex materials and molecular compounds.

Powder and electron diffraction

Methodological advances for structure determination from powder diffraction and electron diffraction data.

Surface crystallography

Analysis of surface reconstructions and adsorbed molecules using grazing X-ray diffraction methods with synchrotron radiation.

Through-the-substrate microdiffraction

Development of the tts X-ray microdiffraction technique, now integrated at ALBA Synchrotron.

Nanostructured and low-dimensional systems

Chemical, physical and structural analysis of surface phenomena in nanoscience using UHV and synchrotron radiation techniques.

Aerogels and porous materials

Preparation and characterization of functionalized and nanocomposited aerogels for dye lasers, catalysis and advanced materials applications.

Methods, materials and applications

The group develops and applies crystallographic methods to materials where structure is essential for understanding function. Its expertise ranges from direct methods and powder diffraction to surface crystallography, synchrotron radiation, UHV techniques and instrumental development.

These approaches support research in strongly correlated materials, microporous materials, molecular compounds, nanostructured materials, aerogels, nanomagnetism, drug delivery, magnetic imaging, gas purification and catalysis.

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Diffraction method development

Algorithms and experimental strategies for crystal structure solution and refinement.

Synchrotron-based characterization

Grazing incidence and microdiffraction methods for complex surfaces and low-dimensional systems.

Instrumental development

Development of Mössbauer spectroscopy instrumentation, including a patented miniaturised Micro-Mössbauer approach.

Materials applications

Catalysis, CO₂ reduction for H₂ production, gas purification sieves, magnetic imaging, drug delivery and porous materials.

Detailed research overview

Structural crystallography and diffraction methods

The current research fields of the group derive from its deep knowledge of structural crystallography and structure-property relationships. New concepts and procedures have been developed over the years, including Patterson search methods and efficient algorithms for phase refinement by direct methods, extended to powder diffraction.

Electron density, hydrogen bonding and surfaces

The study of the topology of experimental electron densities has contributed to a deeper understanding of the hydrogen bond. Expertise in surface crystallography has enabled the determination of difficult surface reconstructions and the location of adsorbed molecules on substrates by grazing X-ray diffraction methods with synchrotron radiation.

Nanostructured materials, aerogels and applications

The group studies low-dimensional systems and nanostructured materials using UHV and synchrotron radiation techniques. It also works on functionalized and nanocomposited aerogels, microporous materials, molecular compounds, nanomagnetism, drug delivery, magnetic imaging, gas purification sieves and catalysis for CO₂ reduction for H₂ production.

People

Researchers, postdoctoral researchers, technicians and project managers associated with the Crystallography and X-Ray Diffraction group.

Permanent Researchers

Postdoctoral Researchers

Technicians and Project Managers

Connected to the ICMAB research ecosystem

The group contributes to ICMAB research through crystallography, advanced diffraction methods and materials characterization expertise.

Research Groups

Research ecosystem

Explore the full map of ICMAB materials science research teams.

Research Units

Scientific structure

Discover the research units connecting groups, expertise and scientific challenges.

X-ray Diffraction Laboratory

Scientific service

Access the ICMAB scientific service for X-ray diffraction and materials characterization.

Contact and group website

For detailed information about current research activity, projects, publications and opportunities, visit the external group website or contact the group through the corresponding ICMAB channels.

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Research Groups Overview