Skip to main content


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) 

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: langmuir2008cm2011cgd2013

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: jpc2003jssc2010jpc2013-1jpc2015anie2015, 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,jpc2012jpc2013-2jpc2014jssc2015, njc2016aenm2017, 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:  cc2010cm2011acta2011ssnmr2012jpc2015cej2016acc2017, 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: pccp2000cc2004jcp2004jcp2008mmm2010jmr2017



  • structure and function of electrode materials and batteries

Selected examples: cm2007cm2008cm2011jmc2011jmc2014cpc2014cm2015

Za slepe in slabovidne(CTRL+F2)
barva kontrasta
velikost besedila
označitev vsebine