Publications

Recent A1 Articles Published online

Super-Oxidizing Covalent Triazine Framework Electrocatalyst for Two-Electron Water Oxidation to H2O2 , R. Khan, J. Chakraborty, K. S. Rawat, R. Morent, N. De Geyter, V. Van Speybroeck, P. Van der Voort , Angewandte Chemie int. Ed. , Published online , 2023
The significance of fluctuating charges for molecular polarizability and dispersion coefficients , Y. Cheng, T. Verstraelen , The Journal of Chemical Physics , Published online , 2023
On the Prediction of Spectroscopic Fingerprints of Co2+ Complexes Relevant for the ZIF Nucleation Process , L. De Bruecker, M. Filez, V. Van Speybroeck , Inorganic Chemistry , Published online , 2023

Most recent A1 Publications

2023

Elucidating the Impact of Chemical Variability on the Nano-Structure of Fe-Rich Slags , C. Siakati, J. Vekeman, F. Tielens, D. Seveno, Y. Pontikes , Journal of Non-Crystalline Solids , 618, 122541 , 2023 , IF: 3.5 , Q1
The Electrophilic Aromatic Bromination of Benzenes: Mechanistic and Regioselective Insights from Density Functional Theory , X. Deraet, E. Desmedt, R. Van Lommel, V. Van Speybroeck, F. De Proft , Physical Chemistry Chemical Physics (PCCP) , 25, 28581 - 28594 , 2023
MOFs for long-term gas storage: Exploiting kinetic trapping in ZIF-8 for on-demand and stimuli-controlled gas release , K. Heinz, S.M.J. Rogge, A. Kalytta-Mewes, D. Volkmer, H. Bunzen , Inorganic Chemistry Frontiers , 10, 16, 4763-4772 , 2023 , IF: 7.0 , 3/46 [Q1]

See all A1 publications

Most recent talks

Honorary lectureship
New Frontiers in Modeling Nanoporous Materials for Catalysis, Diffusion and Adsorption , V. Van Speybroeck , The Dr. Karl Wamsler Innovation Award Symposium 2023 – Advancing Catalysis Science , Garching bei München (Germany) , Thu, 09/11/2023
Talk
Strain engineering to understand and amplify anomalous behaviour in framework materials for energy applications , S.M.J. Rogge , CChESMate-2p , Ghent, Belgium , Wed, 08/11/2023
Invited talk
Challenges in modelling realistic metal-organic frameworks at operating conditions , V. Van Speybroeck , Nobel Symposium NS193: Metal-organic frameworks – Fundamental science enabling transformative materials , Karlskoga, Sweden , Tue, 19/09/2023 to Fri, 22/09/2023

More talks

Most recent conference posters

Molecular simulation of alkane and alkene diffusion in nanoporous membranes to allow for an energy-efficient separation. , B. Schmidt, L. Vanduyfhuys, V. Van Speybroeck , Fears 2022 , Gent + Belgium , Fri, 28/10/2022
A Reactive Force Field for Alumina Systems , L. Dumortier, B. Creton, T. De Bruin, T. Verstraelen , , Blankenberge (Belgium) , Wed, 12/10/2022 to Fri, 14/10/2022
Atomistic insight in the flexibility and heat transport properties of MIL-53(Al) for water-adsorption applications , A. Lamaire, J. Wieme, A. Hoffman, V. Van Speybroeck , MOF2022 , Dresden, Germany , Mon, 05/09/2022 to Tue, 06/09/2022

More posters