Mattias EdénProfessor

Solid-State NMR and Modeling in Materials Science:

(1) New solid-state NMR methodolgy: Engineering of advanced NMR techniques encompassing both spins-1/2 and half-integer quadrupolar spins--most methods utilize various aspects of dipolar interactions (homo- as well as heteronuclear) to establish site proximities/connectivities and to estimate inter-nuclear distances and molecular geometries; development of efficient numerical protocols for simulating NMR experiments.

(2) Structural studies of crystalline and amorphous materials (encompassing glasses, cements, porous materials, ceramics, minerals) by combining three powerful techniques: solid-state NMR spectroscopy, molecular dynamics (MD) simulations, and density functional theory (DFT) calculations. Our recent work is focussed on establishing structure-composition-property relationships of disordered materials:

* developing new rare-earth-based aluminosilicate glasses, and establishing composition-property trends by utilizing solid-state NMR experiments and computer modeling 

* using structure-based approaches to rationalize bioactivity-composition relationships of bioactive glasses (phosphosilicates; borophosphosilicates)

* quantification and structural characterization of bone-mineral-mimicking calcium phosphates that form from bioactive glasses exposed to simulated body fluids (SBF)

* studies of bone mineral and calcium phosphates involved in biomineralization

* structural studies of bioactive Ca-phosphate cements involving organic additives

• Want to know more? Check out this video

Presentation at the Areces Worshop on Mesoporous Materials, Madrid, Spain (April 2018)

 

Scientific Output

>128 regular scientific publications in international peer-reviewed journals and >60 conference contributions; >5000 citations; H-index 39; i10-index 95  (Bibliometric data from WebOfScience)

 

Recent Publications

Direct Experimental Evidence for Abundant BO₄-BO₄ Motifs in Borosilicate Glasses From Double-Quantum ¹¹B NMR Spectroscopy, Y. Yu, B. Stevensson, and M. Edén, J. Phys. Chem. Lett., 9, 6372-6376 (2018)

Structure-Composition Trends in Multicomponent Borosilicate-Based Glasses Deduced from Molecular Dynamics Simulations with Improved B—O and P—O Force Fields, B. Stevensson, Y. Yu, and M. Edén, Phys. Chem. Chem. Phys., 20, 8192-8209 (2018)

Medium-Range Structural Organization of Phosphorus-Bearing Borosilicate Glasses Revealed by Advanced Solid-State NMR Experiments and MD Simulations: Consequences of B/Si Substitutions, Y. Yu, B. Stevensson, and M. Edén, J. Phys. Chem B, 121, 9737-9752 (2017)

Scandium and Yttrium Environments in Aluminosilicate Glasses Unveiled by 45Sc and 89Y NMR Spectroscopy, MD Simulations, and DFT Calculations: What Structural Factors Dictate the Chemical Shifts?, A. Jaworski, T. Charpentier, B. Stevensson, and M. Edén, J. Phys. Chem C, 121, 18815-18829 (2017)

Surface Reactions of Mesoporous Bioactive Glasses Monitored by Solid-State NMR: Concentration Effects in Simulated Body Fluid, C. Turdean-Ionescu, B. Stevensson, I. Izquierdo-Barba, A. García, D. Arcos, M. Vallet-Regí, and M. Edén, J. Phys. Chem. C, 120, 4961-4974 (2016)

Check out our recent reviews

* NMR and glass structure:

https://www.sciencedirect.com/science/article/pii/S0066410320300272

http://pubs.rsc.org/en/content/articlelanding/2012/pc/c2pc90006h

* Dipolar recoupling of quadrupolar nuclei:

https://link.springer.com/referenceworkentry/10.1007%2F978-3-319-28388-3_104

https://www.sciencedirect.com/science/article/pii/S0926204009000617

* Symmetry-based pulse sequences in NMR

https://doi.org/10.1002/9780470034590.emrstm1326

* Bioactive Glasses

https://novapublishers.com/shop/bioactive-glasses-properties-composition-and-recent-applications/

* Amorphous Calcium Phosphate & Bone Mineralization

https://www.sciencedirect.com/science/article/pii/S2589152921001101

* MD Simulations of Glass Structure

https://www.elsevier.com/books/encyclopedia-of-materials/pomeroy/978-0-12-818542-1

Special Issue on Solid-State NMR in Materials Chemistry

https://www.mdpi.com/journal/molecules/special_issues/SSNMR