FWO Postdoc Senior Sven Rogge

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FWO.3E0.2021.007

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V. Van Speybroeck

Project publications (A1)

A. Lamaire, J. Wieme, S. Vandenhaute, R. Goeminne, S.M.J. Rogge, V. Van Speybroeck

Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites

Nature Communications 15, 9997 (2024)

http://dx.doi.org/10.1038/s41467-024-54358-z

J. De Vos, S. Ravichandran, S. Borgmans, L. Vanduyfhuys, P. Van der Voort, S.M.J. Rogge, V. Van Speybroeck

High-Throughput Screening of Covalent Organic Frameworks for Carbon Capture Using Machine Learning

Chemistry of Materials 36, 9, 4315-4330 (2024)

http://dx.doi.org/10.1021/acs.chemmater.3c03230

S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, V. Van Speybroeck

OGRe: Optimal grid refinement protocol for accurate free energy surfaces and its application to proton hopping in zeolites and 2D COF stacking

Journal of Chemical Theory and Computation 19, 24, 9032-9048 (2024)

https://doi.org/10.1021/acs.jctc.3c01028

J. Teunissen, T. Braeckevelt, I. Skvortsova, J. Guo, B. Pradhan, E. Debroye, M. Roeffaers, J. Hofkens, S. Van Aert, S. Bals, S.M.J. Rogge, V. Van Speybroeck

Additivity of atomic strain fields as a tool to strain-engineering phase-stabilized CsPbI3 perovskites

The Journal of Physical Chemistry C 127, 48, 23400-23411 (2023)

http://dx.doi.org/10.1021/acs.jpcc.3c05770

K. Heinz, S.M.J. Rogge, A. Kalytta-Mewes, D. Volkmer, H. Bunzen

MOFs for long-term gas storage: Exploiting kinetic trapping in ZIF-8 for on-demand and stimuli-controlled gas release

Inorganic Chemistry Frontiers 10, 16, 4763-4772 (2023)

http://dx.doi.org/10.1039/D3QI01007D

K. Titov, M.R. Ryder, A. Lamaire, Z. Zeng, A.K. Chaudhari, J. Taylor, E.M. Mahdi, S.M.J. Rogge, S. Mukhopadhyay, S. Rudić, V. Van Speybroeck, F. Fernandez-Alonso, J.-C. Tan

Quantum tunneling rotor as a sensitive atomistic probe of guests in a metal-organic framework

Physical Review Materials 7, 073402 (2023)

http://dx.doi.org/10.1103/PhysRevMaterials.7.073402

S.M.J. Rogge, S. Borgmans, V. Van Speybroeck

Absorbing stress via molecular crumple zones: Strain engineering flexibility into the rigid UiO-66 material

Matter 6, 5, 1435-1462 (2023)

http://dx.doi.org/10.1016/j.matt.2023.02.009

J. De Vos, S. Borgmans, P. Van der Voort, S.M.J. Rogge, V. Van Speybroeck

ReDD-COFFEE: A ready-to-use database of covalent organic framework structures and accurate force fields to enable high-throughput screenings

J. Mater. Chem. A 11, 14, 7468-7487 (2023)

http://dx.doi.org/10.1039/D3TA00470H

A.E.J. Hoffman, J. Marreiros, S.M.J. Rogge, R. Ameloot, V. Van Speybroeck

Microscopic Linker Distribution in Mixed-Linker Zeolitic Imidazolate Frameworks via Computational Raman Spectroscopy: Implications for Gas Separation

ACS Applied Nano Materials 6, 7, 5645–5652 (2023)

http://dx.doi.org/10.1021/acsanm.3c00106

J. Vandewalle, J. De Vos, S.M.J. Rogge

MicMec: Developing the Micromechanical Model to Investigate the Mechanics of Correlated Node Defects in UiO-66

J. Phys. Chem. C 127, 12, 6060-6070 (2023)

http://dx.doi.org/10.1021/acs.jpcc.3c00451

S. Borgmans, S.M.J. Rogge, J. De Vos, P. Van der Voort, V. Van Speybroeck

Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks

Communications Chemistry 6, 1, 5 (2023)

http://dx.doi.org/10.1038/s42004-022-00808-y

J.A. Steele, T. Braeckevelt, V. Prakasam, G. Degutis, H. Yuan, H. Jin, E. Solano, P. Puech, S. Basak, M.I. Pintor-Monroy, H. Van Gorp, G. Fleury, R.X. Yang, Z. Lin, H. Huang, E. Debroye, D. Chernyshov, B. Chen, M. Wei, Y. Hou, R. Gehlhaar, J. Genoe, S. De Feyter, S.M.J. Rogge, A. Walsh, E.H. Sargent, P. Yang, J. Hofkens, V. Van Speybroeck, M.B.J. Roeffaers

An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films

Nature Communications 13, 7513 (2022)

https://doi.org/10.1038/s41467-022-35255-9

T. Braeckevelt, R. Goeminne, S. Vandenhaute, S. Borgmans, T. Verstraelen, J.A. Steele, M. Roeffaers, J. Hofkens, S.M.J. Rogge, V. Van Speybroeck

Accurately Determining the Phase Transition Temperature of CsPbI3 via Random-Phase Approximation Calculations and Phase-Transferable Machine Learning Potentials

Chemistry of Materials 34, 19, 8561–8576 (2022)

https://doi.org/10.1021/acs.chemmater.2c01508

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FWO Postdoc Senior Sven Rogge

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FWO Postdoc Senior Sven Rogge

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