Publications in peer-reviewed journals

2019

17. Understanding phonon properties in isoreticular metal-organic frameworks from first principles.
Kamencek, T.; Bedoya-Martínez, N.; Zojer, E. Phys. Rev. Mater. 2019, 3, 116003. DOI: 10.1103/PhysRevMaterials.3.116003

16. Enzyme Encapsulation in a Porous Hydrogen-Bonded Organic Framework.
Liang, W.; Carraro, F.; Solomon, M. B.; Bell, S. G.; Amenitsch, H.; Sumby, C. J.; White, N. G.; Falcaro, P.; Doonan, C. J. J. Am. Chem. Soc. 2019, 141, 14298-14305. DOI: 10.1021/jacs.9b06589

15. Understanding the Correlation between Electronic Coupling and Energetic Stability of Molecular Crystal Polymorphs: The Instructive Case of Quinacridone.
Winkler, C.; Jeindl, A.; Mayer, F.; Hofmann, O. T.; Tonner, R.; Zojer, E. Chem. Mater. 2019, 31, 7054-7069. DOI: 10.1021/acs.chemmater.9b01807

14. Vapour-phase deposition of oriented copper dicarboxylate metal-organic framework thin films.
Stassin, T.; Rodríguez-Hermida, S.; Schrode, B.;  Cruz, A. J.; Carraro, F.; Kravchenko, D.; Creemers, V. Stassen, I.; Hauffman, T.; De Vos, D.; Falcaro, P.; Resel, R.; Ameloot, R. Chem. Commun. 2019, 55, 10056-10059. DOI: 10.1039/C9CC05161A

13. Encapsulation, Visualization and Expression of Genes with Biomimetically Mineralized Zeolitic Imidazolate Framework-8 (ZIF-8).
Poddar, A.; Conesa, J. J.; Liang, K.; Dhakal, S.; Reineck, P.; Bryant, G.; Pereiro, E.; Ricco, R.; Amenitsch, H.; Doonan, C.; Mulet, X.; Doherty, C. M.; Falcaro, P.; Shukla, R. Small 2019, 15, 1902268. DOI: 10.1002/smll.201902268

12. Degradation of ZIF-8 in Phosphate Buffered Saline Media.
Velásquez-Hernández, M. de J.; Ricco, R.; Carraro, F.; Limpoco, T.; Linares-Moreau, M. de las M.; Leitner, E.; Wiltsche, H.; Rattenberger, J.; Schröttner, H.; Frühwirt, P.; Stadler, E. M.; Gescheidt, G.; Amenitsch, H.; Doonan, C. J.; Falcaro, P. Cryst. Eng. Comm. 2019, 21, 4538-4544. DOI:10.1039/C9CE00757A

11. MOFBOTS: Metal–Organic-Framework-Based Biomedical Microrobots.
Wang, X.; Chen, X.-Z.; Alcântara, C. C. J.; Sevim, S.; Hoop, M.; Terzopoulou, A.; de Marco, C.; Hu, C.; de Mello, A. J.; Falcaro, P.; Furukawa, S.; Nelson, B. J.; Puigmartí-Luis, J.; Pané, S. Adv. Mater. 2019, 1901592. DOI: 10.1002/adma.201901592

10. Oriented growth of multiple layered thin films of metal‐organic frameworks (MOF‐on‐MOF).
Ikigaki, K.; Okada, L.; Tokudome, Y.; Toyao, T.; Falcaro, P.; Doonan, C. J.; Takahashi, M. Angew. Chem. Int. Ed. 2019, 58, 6886-6890. DOI: 10.1002/ange.201901707

9. Carbohydrates@MOFs.
Astria, E.; Thonhofer, M.; Riccò, R.; Liang, W.; Chemelli, A.; Tarzia, A.; Alt, K.; Hagemeyer, C.; Rattenberger, J.; Schroettner, H.; Wrodnigg, T.; Amenitsch, H.; Huang, D. M.; Doonan, C. J.; Falcaro, P. Mater. Horiz. 2019, 6, 969-977. DOI: 10.1039/C8MH01611A 

8. Strength versus toughness of emulsion templated poly(dicyclopentadiene) foams.
Kovačič, S.; Žagar, E.; Slugovc, C. Polymer 2019, 169, 58-65. DOI: 10.1016/j.polymer.2019.02.045

7. Analyzing the electronic coupling in molecular crystals - the instructive case of alpha-quinacridone.
Winkler, C.; Mayer, F.; Zojer, E. Adv. Theory Simul. 2019, 2, 1800204 . DOI: 10.1002/adts.201800204

6. Enhanced Activity of Enzymes Encapsulated in Hydrophilic Metal-Organic Frameworks.
Liang, W.; Xu, H.; Carraro, F.; Maddigan, N. K.;  Li, Q.;  Bell, S. G.; Huang, D. M.; Tarzia, A.; Solomon, M. B.; Amenitsch, H.; Vaccari, L.; Sumby, C. J.; Falcaro, P.; Doonan, C. J. J. Am. Chem. Soc. 2019, 141, 2348-2355. DOI: 10.1021/jacs.8b10302

2018

5. High-Throughput Screening of Metal–Organic Frameworks for Macroscale Heteroepitaxial Alignment.
Tarzia, A.; Takahashi, M.; Falcaro, P.; Thornton, A. W.; Doonan, C. J.; Huang, D. M. ACS Appl. Mater. Interfaces 2018, 10, 40938-40950. DOI: 10.1021/acsami.8b14756

4. Conversion of Copper Carbonate into a Metal–Organic Framework.
Riccò, R.; Linder-Patton, O.; Sumida, K.; Styles, M. J.; Liang, K.; Amenitsch, H.; Doonan, C. J.; Falcaro, P. Chem. Mater. 2018, 30, 5630-5638. DOI: 10.1021/acs.chemmater.8b01891

3. Biocompatibility characteristics of the metal organic framework ZIF-8 for therapeutical applications.
Hoop, M.; Walde, C. F.; Riccò, R.; Mushtaq, F.; Terzopoulou, A.; Chen, X. Z.; deMello, A. J.; Doonan, C. J.; Falcaro, P.; Nelson, B. J.; Puigmartí-Luis, J.; Panéa, S. Appl. Mater. Today 2018, 11, 13-21. DOI: 10.1016/j.apmt.2017.12.014

2. Protein surface functionalisation as a general strategy for facilitating biomimetic mineralisation of ZIF-8.
Maddigan, N. K.; Tarzia; A.; Huang, D. M.; Sumby, C. J.; Bell, S. G.; Falcaro, P.; Doonan, C. J. Chem. Sci. 2018, 9, 4217-4223. DOI: 10.1039/C8SC00825F

1. Metal–Organic Frameworks for Cell and Virus Biology: A Perspective.
Riccò, R.; Liang, W.; Li, S.; Gassensmith, J. J.; Caruso, F.; Doonan, C.; Falcaro, P. ACS Nano 2018, 12, 13-23. DOI: 10.1021/acsnano.7b08056

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Lectures

2019

21. Carbohydrates@MOFs .
Astria, E.; Thonhofer, M.; Ricco, R.; Liang, W.; Doonan, C.; Falcaro, P.  Young Investigator Symposium of the 3rd International Conference on Metal Organic Frameworks and Porous Polymers (EuroMOF2019), Paris, France, Oct. 26, 2019.

20. Conversion of copper substrates into Metal-Organic Frameworks.
Ricco, R. 3rd International Conference on Metal Organic Frameworks and Porous Polymers (EuroMOF2019), Paris, France, Oct. 27-30, 2019.

19. Porous Bio-composites Prepared via Encapsulation of Biomacromolecules in MOFs.
Falcaro, P. Invited lecture at the Tsinghua University, Beijing, China, Sept. 24, 2019.

18. Metal xanthates: a route to porous metal sulfide thin layers.
Vakalopoulou, E.; Trimmel, G. 18th Austrian Chemistry Days, Linz, Austria, Sept. 24-27, 2019. OP-69

17. The Förster energy transfer in metal organic frameworks.
Kelterer, A.-M.; Windischbacher, A.; Zojer, E. Central Symposium on Theoretical Chemistry (CESTC), Burg Schlaining, Austria, Sept. 9-12, 2019.

16. Mapping of large volumes of reciprocal space by rotating grazing-incidence X-ray diffraction.
Schrode, B.; Pachmajer, S.; Röthel, C.; Hofer, S.; Domke, J.; Fritz, T.; Resel, R.; Werzer, O. Fall Meeting of the European Materials Research Society (EMRS), Symposium U: X-ray based techniques for sustainable energy related materials, Warzaw, Poland, Sept. 16-19, 2019.

15. Vapour deposition of ZIF-8 thin films with preferred orientation.
Kraeuter, M.; Perrotta, A.; Pilz, J.; Ameloot, R.; Stassin, T.; Cruz, A.; Resel, R.; Coclite, A. M. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

14. Metal xanthates: a route to porous metal sulfide thin layers.
Vakalopoulou, E.; Trimmel, G. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

13. Understanding the bottlenecks of thermal transport in Metal-Organic Frameworks.
Wieser, S.; Kamencek, T.; Zojer, E.; Bedoya-Martínez, N. O. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

12. Oxygen-scavanger materials and mixed conducting polymers obtained by Ring-Opening Metathesis Polymerization.
Slugovc, C.; Vakalopoulou, E.; Leypold, C.; Freunberger, S. A. International Symposium on Olefin Metathesis and Related Chemistry (ISOM 23), Barcelona, Spain, Jun. 30- Jul. 3, 2019. Keynote lecture by CS.

11. Phonon-Related Properties in Metal-Organic Frameworks from First Principles.
Kamencek, T.; Wieser, S.; Zojer, E.; Bedoya-Martínez, N. Spring Meeting of the German Physical Society, Regensburg, Germany, March 31-April 5, 2019.

10. Understanding the bottlenecks of thermal transport in Metal-Organic Frameworks.
Wieser, S.; Kamencek, T.; Zojer, E.; Schmid, R.; Dürholt, J. P.; Bedoya-Martínez, N. Spring Meeting of the German Physical Society, Regensburg, Germany, March 31-April 5, 2019.

9. Electronic couplings in molecular crystals: Tight-Binding fits vs. cluster-based approaches.
Mayer, F.; Winkler, C.; Zojer, E. Spring Meeting of the German Physical Society, Regensburg, Germany, March 31-April 5, 2019.

8. Why are charge-carrier mobilities in organic semiconductors typically low? The instructive case of quinacridone.
Winkler, C.; Mayer, F.; Hofmann, O. T.; Kraberger, G. J. Zojer, E. Spring Meeting of the German Physical Society, Regensburg, Germany, March 31-April 5, 2019.

7. Electrostatically designed metal-organic frameworks based p-i-n junctions.
Nascimbeni, G.; Wöll, C. Zojer, E. Spring Meeting of the German Physical Society, Regensburg, Germany, March 31-April 5, 2019.

2018

6. Engineering Metal-Organic Frameworks.
Falcaro, P. invited lecture within the Pregl Colloquium at the University of Ljubljana, Slovenia, Dec. 20, 2018.

5. Device Fabrication – Positioning and Alignment of MOF Crystals.
Falcaro, P. invited lecture at the Catalan Institute of Nanoscience and Nanotechnology, Barcelona, Spain, Dec. 18, 2018.

4. Device Fabrication – Positioning and Alignment of MOF Crystals.
Falcaro, P. keynote lecture at the Americas International Meeting on Electrochemistry and Solid State Science (AIMES 2018), Cancun, Mexico, Sept. 30 - Oct. 4, 2018.

3. Electrostatically tuning the Elecronic Properties of Organic Franmework Materials.
Zojer, E. 43rd International Conference on Coordination Chemistry (ICCC2018), Sendai, Japan, July 30- August 4, 2018.

2. Emerging Applications of Metal Organic Framework composites: from precisely oriented MOF films to biohybrid MOF composites.
Falcaro, P. keynote lecture at the 43rd International Conference on Coordination Chemistry (ICCC2018), Sendai, Japan, July 30 - Aug. 4, 2018.

1. From Ceramic Seeds to Aligned Metal Organic Framework (MOF) Thin Films.
Falcaro, P. invited lecture at the 12th International Conference on Ceramic Materials and Components for Energy and Environmental Applications, Singapore, July 22-27, 2018.

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Posters

2019

30. Carbohydrates@MOFs.
Astria, E.; Thonhofer, M.; Ricco, R.; Liang, W.; Doonan, C.; Falcaro, P. 3rd International Conference on Metal Organic Frameworks and Porous Polymers (EuroMOF2019), Paris, France, Oct. 26, 2019.

29. Understanding the bottlenecks of thermal transport in metal-organic frameworks.
Wieser, S.; Kamencek, T.; Zojer, E.; Schmid R.; Dürholt, J. P.; Bedoya-Martínez, N. O.  3rd International Conference on Metal Organic Frameworks and Porous Polymers (EuroMOF2019), Paris, France, Oct. 27-30, 2019.

28. Theoretical investigation of energy transfer in a Zn-SURMOF.
Windischbacher, A.; Krammer, M.; Zojer, E.; Haldar, R.; Wöll, C.; Kelterer, A.-M. 3rd International Conference on Metal Organic Frameworks and Porous Polymers (EuroMOF2019), Paris, France, Oct. 27-30, 2019.

27. Phonon-Related Properties in Metal-Organic Frameworks from First Principles.
Kamencek, T.; Wieser, S.; Bedoya-Martínez, N.; Zojer, E. 3rd International Conference on Metal Organic Frameworks and Porous Polymers (EuroMOF2019), Paris, France, Oct. 27-30, 2019.

26. Construction of microporous coordination polymers with bifunctional linkers.
Kodolitsch, K.; Torvisco, A.; Slugovc, C. 3rd International Conference on Metal Organic Frameworks and Porous Polymers (EuroMOF2019), Paris, France, Oct. 27-30, 2019.

25. Understanding Phonon Properties in Metal-Organic Frameworks From First Principles.
Kamencek, T.; Wieser, S.; Bedoya-Martínez, N.; Zojer, E. Advanced Materials Day 2019, Graz, Austria, Sept. 26, 2019.

24. Alignment study of epitaxially grown Cu(BDC)-MOFs via X-ray pole figure technique.
Hofer, S.; Schrode, B.; Ricco, R.; Carraro, F.; Falcaro, P.; Takahashi, M.; Ikagaki, K.; Resel, R. Advanced Materials Day 2019, Graz, Austria, Sept. 26, 2019.

23. Vapour Deposition of Metal-Organic Nanoporous Materials.
Kräuter, M. Advanced Materials Day 2019, Graz, Austria, Sept. 26, 2019

22. Adsorption and desorption of L-cysteine on nanoporous gold monitored by in-situ resistometry.
Hengge, E.; Steyskal, E.-A.; Dennig, A.; Nidetzky, B.; Würschum, R. Advanced Materials Day 2019, Graz, Austria, Sept. 26, 2019.

21. Why are charge carrier mobilities in organic semiconductors typically low? Are COFs and MOFs the solution?
Winkler, C.; Jeindl, A.; Mayer, F.; Hofmann, O. T.; Tonner, R.; Zojer, E. Advanced Materials Day 2019, Graz, Austria, Sept. 26, 2019.

20. Carbohydrates@ZIF-8.
Astria, E.; Thonhofer, M.; Ricco, R.; Liang, W.; Chemelli, A.; Tarzia, A.; Alt, K.; Hagemeyer, C. E.; Rattenberger, J.; Schroettner, H.; Wrodnigg, T.; Amenitsch, H.; Huang, D. M.;  Doonan, C. J.; Falcaro, P. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

19. Macroporous poly(norbornadiene) is a fast oxygen scavenger material at room temperature.
Vakalopoulou, E.;  Borisov, S. M.;  Slugovc, C. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

18. Metal-Organic Frameworks acting as enzyme carriers.
Wied, P.;  Bolivar, J. M.; Doonan, C.; Nidetzky, B.; Falcaro, P. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

17. Adsorption and desorption of L-cysteine on nanoporous gold monitored by in-situ resistometry.
Hengge, E.; Steyskal, E.-A.; Dennig, A.; Nidetzky, B.; Würschum, R. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

16. Enzyme encapsulation with hydrophilic mesoporous coordination polymers.
Kodolitsch, K.; Torvisco, A.; Slugovc, C. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

15. Coordination polymers with a ROMP-able moiety.
Fischer, S.; Torvisco, A.; Slugovc, C. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

14. Theoretical investigation of excited state formation and electronic coupling in a Zn-SURMOF.
Windischbacher, A.; Zojer, E.; Haldar, R.; Wöll, C.; Kelterer, A.-M. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

13. Nanostructured hydrogel for humidity sensing layers.
Cesnik, S.; Bergmann, A.; Coclite, A. M. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

12. Porphyrin-based porous materials.
Burger, T.;  Borisov, S. M.; Slugovc, C. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

11. Why are charge carrier mobilities in organic semiconductors typically low? Are COFs and MOFs the solution?
Winkler, C.; Jeindl, A.; Mayer, F.; Hofmann, O. T.; Tonner, R.; Zojer, E. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

10. Porous materials under high hydrostatic pressures.
Dalfen, I.; Burger, T.; Slugovc, C.; Borisov, S. M.; Klimant, I. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

9. Phonon-related properties in Metal-Organic Frameworks.
Kamencek, T.; Wieser, S.; Bedoya-Martínez, N.; Zojer, E. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

8. Alignment study of epitaxially grown Cu(BDC)-MOFs via X-ray pole figure technique.
Schrode, B.; Hofer, S.; Ricco, R.; Carraro, F.; Falcaro, P.; Takahashi, M.; Ikagaki, K.; Resel, R. Porous Materials@Work Summer School, Graz, Austria, Sept. 16-19, 2019.

7. Stiffening of poly(dicyclopentadiene) based polyHIPEs by using a norbonene-ester based crosslinker.
Vakalopoulou, E.; Edinger, D.; Slugovc, C. International Symposium on Olefin Metathesis and Related Chemistry (ISOM 23), Barcelona, Spain, Jun. 30 - Jul. 3, 2019. P25

6. Macroporous Polymeric Oxygen Scavenger Material.
Vakalopoulou, E.; Kodolitsch, K.; Borisov, S.; Slugovc, C. International Symposium on Olefin Metathesis and Related Chemistry (ISOM 23), Barcelona, Spain, Jun. 30 - Jul. 3, 2019. P21

2018

5. Stiffening of poly(dicyclopentadiene) based polyHIPEs by using a norbonene-ester based crosslinker.
Vakalopoulou, E.; Slugovc, C. Biennial Meeting of the GDCh-Division of Macromolecular Chemistry - Dimensional Control of Polymer Materials – From Synthesis to Function, Karlsruhe, Germany, Sept. 24-27, 2018.

4. Thermal transport of metal-organic frameworks from first principle calculations.
Kamencek, T.; Seewald, L. M. ; Bedoya-Martínez, N. ; Zojer, E. Jahrestagung der Österreichischen Physikalischen Gesellschaft, Graz, Sept. 10-13, 2018.

3. Green implementation of aza-Michael reactions for the synthesis of bi-functional linkers forming microporous coordination polymers.
Kodolitsch, K.; Gobec, F.; Torvisco, A.; Falcaro, P.; Slugovc, C. Advanced Materials Day 2018, Graz, Sept. 21, 2018.

2. Stiffening of poly(dicyclopentadiene) based polyHIPEs by using a norbonene-ester based crosslinker.
Vakalopoulou, E.; Slugovc, C. Advanced Materials Day 2018, Graz, Sept. 21, 2018.

1. Macroporous Polymeric Oxygen Scavenger Material.
Vakalopoulou, E.; Borisov, S.; Slugovc, C. Advanced Materials Day 2018, Graz, Sept. 21, 2018.

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Diploma Theses

2019

7. Towards Redox-Active Polymers: Synthesis and Characterisation of Monomers and Coordination Compounds with Quinone Moieties.
Fischer, S. M. Institute for Chemistry and Technology of Materials, Graz University of Technology, 2019.

2018

6. Thermal transport and vibrational properties in metal-organic frameworks from first principle calculations.
Kamncek, T. Institute of Solid State Physics, 2018.

5. Ring opening metathesis polymerization derived polyHIPEs with novel features.
Vakalopoulou, E. Institute for Chemistry and Technology of Materials, Graz University of Technology, 2018.

4. Towards clickable Metal Organic Frameworks (MOFs) Synthesis of tetrazine based linkers.
Gobec, F. Institute for Chemistry and Technology of Materials, Graz University of Technology, 2018.

3. Metal-organic frameworks with imidazole-carboxylate containing ligands.
Kodolitsch, K. Institute for Chemistry and Technology of Materials, Graz University of Technology, 2018.

2. Porous Organic Polymers as Matrix Materials for Optical Oxygen Sensors.
Kodolitsch, E. Institute for Chemistry and Technology of Materials, Graz University of Technology, 2018.

1. Epitaxial Order of Metal-Organic Frameworks based on Copper and Terephthalic Acid.
Hofer, S. Institute of Solid State Physics, Graz University of Technology, 2018.

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Granted Projects

2018

Chemical Vapour Deposition (CVD) of new oriented MOF thin films.
Resel, R.: Experiments at beamline XRD1, Synchrotron Elettra, Trieste, proposal no.: 20180092
partner: Rob Amelot, Leuven; Paolo Falcaro TU-Graz; 9 shifts granted in the period Nov. 19-22, 2018.

The metal organic framework Cu(BDC) on Cu(OH)2 substrates: epitaxial order and ligand exchange.
Resel, R.: Experiments at beamline XRD1, Synchrotron Elettra, Trieste, proposal no.: 20180105
9 shifts granted for the period Sept. 17-20, 2018.

Chemical Vapour Deposition (CVD) of new oriented MOF thin films.
Resel, R.: Experiments at beamline ID10, European Synchrotron Research Facility (ESRF), Grenoble, proposal no.: MA4411
partner: Rob Amelot, Leuven; Paolo Falcaro TU-Graz; 18 shifts granted in the period Aug. 22-28, 2018.

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   Articles:  17

   Lectures:  21

   Posters: 30

   Diploma Theses:  7