Prof. Dr. Gregor Mali
Diploma in physics at University of Ljubljana, 1996; PhD degree in solid-state physics at University of Ljubljana 2001; Currently research professor at the National Institute of Chemistry/ Laboratoy for Adsorbents.
Curriculum vitae (pdf)
e-mail: gregor.mali(at)ki.si
I work and give lectures on the development and application of solid-state NMR methods for the investigation of structure and function of porous materials. I use NMR spectroscopy also for the investigation of promising new materials for batteries and for structural analyses of solid pharmaceuticals from the local pharmaceutical companies (bibliography).
Useful links for students
- very briefly about NMR spectroscopy (presentation for CERIC)
- introduction to solid-state NMR (Hercules schoool)
- how to measure and process MAS NMR spectra (Hercules school)
- theoretical background (slides)
- incomplete! lecture notes (pdf)
Research topics
Looking into metal-organic frameworks with solid-state NMR spectroscopy (book chapter)
Formation of porous materials
- micro- and mesoporous silicates, aluminophosphates, metal-organic frameworks (MOFs)
- NMR can follow formation from the initial solution/gel to the final crystalline product
Selected examples: langmuir2008, cm2011, cgd2013
Structure of porous materials
- NMR spectroscopy provides information on inequivalent sites and on connectivities among these sites
- particularly important for motifs that do not exhibit long-range order
Selected examples: jpc2003, jssc2010, jpc2013-1, jpc2015, anie2015, cm2017-2, anie2019, natcomm2019, jacs2020
Molecules embedded within the pores
- includes drug-delivery, gas-storage, and heat-storage systems
- embedded drug, CO2, H2O, template, and solvent molecules
- study of interaction of embedded molecules with the matrices
Selected examples: pccp2011,jpc2012, jpc2013-2, jpc2014, jssc2015, njc2016, aenm2017, cm2019, anie2020, acscatal2020, natchem2020
Combining NMR spectroscopy and first-principles calculations
- Hyperfine contact and pseudo-contact shift in paramagnetic materials
- chemical shift and quadrupolar coupling in diamagnetic materials
- polymorphism
Selected examples: cc2010, cm2011, acta2011, ssnmr2012, jpc2015, cej2016, acc2017, jpcl2019, jpcc2022
Development of NMR methods
- homonuclear correlation methods for quadrupolar nuclei
- heteronuclear correlation spectroscopy including quadrupolar nuclei
- analysis of spin diffusion in heterogeneous materials
Selected examples: pccp2000, cc2004, jcp2004, jcp2008, mmm2010, jmr2017
Batteries
- structure and function of electrode materials and batteries
Selected examples: cm2007, cm2008, cm2011, jmc2011, jmc2014, cpc2014, cm2015,
cej2016, acc2017, cm2017, cm2020
