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Mechanochemical strategies towards complex porous catalysts
Mechanochemical strategies towards complex porous catalysts
This project aims to synthesize innovative non-conventional inorganic and porous catalytic materials, focusing on supramolecular-organic frameworks (HOFs), enzymatic biocomposites, and multivariant metal-organic frameworks (MOFs). It plans to employ green synthetic methods, such as mechanochemical and vapor-solid reactions, to develop new reactors that combine mechanical forces with other energy sources. The ultimate goal is to evaluate their catalytic performance in environmental applications such as biomass remediation and CO2 reduction while elucidating reaction kinetics using advanced in situ techniques.
Key Publications
Key Publications
Targeted synthesis of new functional materials by computationally assisted mechanochemical templation
Targeted synthesis of new functional materials by computationally assisted mechanochemical templation
Project uses computational chemistry to predict the structures and properties of templated porous materials, namely zeolitic imidazolate frameworks built from zinc and imidazole, with the aim of targeting functional, stabilized forms directly. Target materials are synthesized via mechanochemistry, enabling efficient, safe, and sustainable preparation.
Key Publications
Key Publications
3. Y. Xu, J. Dorrell, K. Lisac, I. Brekalo, J. P. Darby, A. J. Morris, M. Arhangelskis, Hierarchical Crystal Structure Prediction of Zeolitic Imidazolate Frameworks Using DFT and Machine-Learned Interatomic Potentials. Chem. Sci. 2026; https://doi.org/10.1039/D6SC04307K
2. I. Brekalo, K. Lisac, J. R. Ramirez, P. Pongrac, A. Puškarić, S. Valić, Y. Xu, M. Ferguson, J. M. Marrett, M. Arhangelskis, T. Friščić, K. T. Holman, Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives, J. Am. Chem. Soc. (2025) 147, 27413–27430 https://doi.org/10.1021/jacs.5c04043
1. G. Zgrablić, A. Senkić, N. Vidović, K. Užarević, D. Čapeta, I. Brekalo, M. Rakić, Building a cost-effective mechanochemical Raman system: improved spectral and time resolution for in situ reaction and rheology monitoring, Phys. Chem. Chem. Phys. (2025) 27, 5909–5920; https://doi.org/10.1039/D4CP04757E
Mechanochemical and solvent-free strategies towards functional porous materials with advanced physico-chemical and catalytic properties
Mechanochemical and solvent-free strategies towards functional porous materials with advanced physico-chemical and catalytic properties
The project's aim is to develop a research network and methodology to explore methods such as mechanochemistry and accelerated aging for synthesizing and modifying metal-organic frameworks (MOFs), their derivatives, and other organic porous materials without the use of excess solvent. Additionally, it seeks to use mechanochemistry and thermal activation to create amorphous and glass phases of these materials and investigate how changes in their internal structure affect their physicochemical properties and potential applications.
Key Publications
Key Publications
10. C. Ye, G. I. Lampronti, L. N. McHugh, C. Castillo-Blas, A. Kono, C. Chen, G. P. Robertson, L. A. V. Nagle-Cocco, W. Xu, S. D. Stranks, V. Martinez, I. Brekalo, B. Karadeniz, K. Užarević, W. Xue, P. Kolodzeiski, C. Das, P. Chater, D. A. Keen, S. E. Dutton, T. D. Bennett, Mechanochemically-induced glass formation from two-dimensional hybrid organic–inorganic perovskites, Chem. Sci. (2024) 15, 7198–7205; https://doi.org/10.1039/D4SC00905C
9. L. Vujević, B. Karadeniz, N. Cindro, A. Krajnc, G. Mali, M. Mazaj, S. M. Avdoshenko, A. A. Popov, D. Žilić, K. Užarević, M. Kveder, Improving the molecular spin qubit performance in zirconium MOF composites by mechanochemical dilution and fullerene encapsulation, Chem. Sci. (2023) 14, 9389–9399; https://doi.org/10.1039/D3SC03089J
8. M. F. Thorne, C. Castillo-Blas, L. N. McHugh, A. M. Bumstead, G. P. Robertson, A. F. Sapnik, C. S. Coates, F. N. Sayed, C. P. Grey, D. A. Keen, M. Etter, I. da Silva, K. Užarević, T. D. Bennett, Formation of new crystalline qtz-[Zn(mIm)2] polymorph from amorphous ZIF-8, Chem. Commun. (2022) 58, 11949–11952; https://doi.org/10.1039/D2CC04241J
7. L. N. McHugh, M. F. Thorne, A. M. Chester, M. Etter, K. Užarević, T. D. Bennett, Mechanochemically synthesised dicyanamide hybrid organic–inorganic perovskites, and their melt- quenched glasses, Chem. Commun. (2022) 58, 3949–3952; https://doi.org/10.1039/d2cc00278g
6. S. Muratović, V. Martinez, B. Karadeniz, D. Pajić, I. Brekalo, M. Arhangelskis, M. Mazaj, G. Mali, M. Etter, T. Friščić, Y. Krupskaya, V. Kataev
D. Žilić, K. Užarević, Low-Dimensional Magnetism in Multivariate Copper/Zinc MOF-74 Materials Formed via Different Mechanochemical Methods Inorg. Chem. (2022) 61, 18181–18192; https://doi.org/10.1021/acs.inorgchem.2c02898
5. T. Stolar, A. Prašnikar, V. Martinez, B. Karadeniz, A. Bjelić, G. Mali, T. Friščić, B. Likozar, K. Užarević, Scalable Mechanochemical Amorphization of Bimetallic Cu−Zn MOF-74 Catalyst for Selective CO2 Reduction Reaction to Methanol, ACS Appl. Mater. Interfaces. (2021) 13, 3070–3077, https://doi.org/10.1021/acsami.0c21265
4. V. Martinez, B. Karadeniz, N. Biliškov, I. Lončarić, S. Muratović, D. Žilić, S. M. Avdoshenko, M. Roslova, A. A. Popov, K. Užarević, Tunable Fulleretic Sodalite MOFs: Highly Efficient and Controllable Entrapment of C60 Fullerene via Mechanochemistry, Chem. Mater (2020) 32, 10628–10640; https://doi.org/10.1021/acs.chemmater.0c03796
3. S. Muratović, B. Karadeniz, T. Stolar, S. Lukin, I. Halasz, M. Herak, G. Mali, Y. Krupskaya, V. Kataev, D. Žilić, K. Užarević, Impact of dehydration and mechanical amorphization on the magnetic properties of Ni(ii)-MOF-74, J. Mater. Chem. C (2020) 8, 7132–7142; https://doi.org/10.1039/D0TC00844C
2. T. Stolar, K. Užarević, Mechanochemistry: an efficient and versatile toolbox for synthesis, transformation, and functionalization of porous metal–organic frameworks, Crystengcomm (2020) 22, 4511–4525; https://doi.org/10.1039/d0ce00091d
1. B. Karadeniz, D. Žilić, I. Huskić, L. S. Germann, A. M. Fidelli, S. Muratović, I. Lončarić, M. Etter, R. E. Dinnebier, D. Barišić, N. Cindro, T. Islamoglu, O. K. Farha, T. Friščić, K. Užarević, Controlling the Polymorphism and Topology Transformation in Porphyrinic Zirconium Metal–Organic Frameworks via Mechanochemistry, J. Am. Chem. Soc. (2019) 141, 19214–19220; https://doi.org/10.1021/jacs.9b10251
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