Alexander Hoffman

Quick links

Go to A1 Publications / Other Publications / Invited talks / Conference talks / Posters / Funding

A1 Publications

Published

2023

A Critical Assessment on Calculating Vibrational Spectra in Nanostructured Materials , A.E.J. Hoffman, W. Temmerman, E. Campbell, A. A. Damin, I. Lezcano-Gonzalez, A.M. Beale, S. Bordiga, J. Hofkens, V. Van Speybroeck , Journal of Chemical Theory and Computation , Volume: 20, Issue: 2, Pages: 513-531 , 2023
The role of phonons in switchable MOFs: a model material perspective , A.E.J. Hoffman, I. Senkovska, L. Abylgazina, V. Bon, V. Grzimek, A.M. Dominic, M. Russina, M.A. Kraft, I. Weidinger, W.G. Zeier, V. Van Speybroeck, S. Kaskel , Journal of Materials Chemistry A , 11, 28, 15286-15300 , 2023 , IF: 11.9 , 32/342 [Q1]
Understanding the phase transition mechanism in the lead halide perovskite CsPbBr₃ via theoretical and experimental GIWAXS and Raman spectroscopy , A.E.J. Hoffman, R.A. Saha, S. Borgmans, P. Puech, T. Braeckevelt, M.B.J. Roeffaers, J.A. Steele, J. Hofkens, V. Van Speybroeck , APL Materials , Volume 11, Issue 4, article number 041124 , 2023 , IF: 6.635 , 33/161 [Q1]
Microscopic Linker Distribution in Mixed-Linker Zeolitic Imidazolate Frameworks via Computational Raman Spectroscopy: Implications for Gas Separation , A.E.J. Hoffman, J. Marreiros, S.M.J. Rogge, R. Ameloot, V. Van Speybroeck , ACS Applied Nano Materials , 6, 7, 5645–5652 , 2023 , IF: 5.9 , 97/342 [Q2]

2022

How water and ion mobility affect the NMR fingerprints of the hydrated JBW zeolite: a combined computational-experimental investigation , S. Vanlommel, A.E.J. Hoffman, S. Smet, S. Radhakrishnan, K. Asselman, C. V. Chandran, E. Breynaert, C. Kirschhock, J.A. Martens, V. Van Speybroeck , Chemistry - A European Journal , 28, 68, e202202621 , 2022 , IF: 5.020 , 64/179 [Q2]
Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phase transitions , A.E.J. Hoffman, I. Senkovska, J. Wieme, A. Krylov, S. Kaskel, V. Van Speybroeck , Journal of Materials Chemistry A , 10 (33), 17254-17266 , 2022 , IF: 14.511 , 26/345 [Q1]

2021

Towards modeling spatiotemporal processes in metal–organic frameworks , V. Van Speybroeck, S. Vandenhaute, A.E.J. Hoffman, S.M.J. Rogge , Trends in Chemistry , 3 (8): 605-619 , 2021 , IF: 22.448 , 9/179 [Q1]
Identification of vanadium dopant sites in the metal–organic framework DUT-5(Al) , K. Maes, L.I.D.J. Martin, S. Khelifi, A.E.J. Hoffman, K. Leus, P. Van der Voort, E. Goovaerts, P.F. Smet, V. Van Speybroeck, F. Callens, H. Vrielinck , Physical Chemistry Chemical Physics (PCCP) , 23, 7088-7100 , 2021 , IF: 3.945 , 9/36 [Q1]
Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal-organic framework MIL-53(Al) for water-adsorption applications using molecular simulations , A. Lamaire, J. Wieme, A.E.J. Hoffman, V. Van Speybroeck , Faraday Discussions , 225, 301-323 , 2021 , IF: 4.394 , 71/163 [Q2]

2020

Theoretical and Spectroscopic Evidence of the Dynamic Nature of Copper Active Sites in Cu-CHA Catalysts under Selective Catalytic Reduction (NH3–SCR–NOx) Conditions , R. Millan, P. Cnudde, A.E.J. Hoffman, C.W. Lopes, P. Concepcion, V. Van Speybroeck, M. Boronat , Journal of Physical Chemistry Letters , 11, 23, 10060-10066 , 2020 , IF: 6.71
Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts , I. Lezcano-Gonzalez, E. Campbell, A.E.J. Hoffman, M. Bocus, I.V. Sazanovich, M. Towrie, M. Agote-Aran, E.K. Gibson, A. Greenaway, K. De Wispelaere, V. Van Speybroeck, A.M. Beale , Nature Materials , 19, 1081–1087 , 2020 , IF: 38.663 , 1/159 [Q1]
Engineering a highly defective stable UiO-66 with tunable Lewis-Brønsted acidity - The role of the hemilabile linker , X. Feng, J. Hajek, H. S. Jena, G. Wang, S. K. P. Veerapandian, R. Morent, N. De Geyter, K. Leyssens, A.E.J. Hoffman, V. Meynen, C. Marquez, D. De Vos, V. Van Speybroeck, K. Leus, P. Van der Voort , JACS (Journal of the American Chemical Society) , 142 (6), 3174-3183 , 2020 , IF: 14.695 , 12/172 [Q1]

2019

A Supramolecular View on the Cooperative Role of Brønsted andLewis Acid Sites in Zeolites for Methanol Conversion , S. Bailleul, I. Yarulina, A.E.J. Hoffman, A. Dokania, E. Abou-Hamad, A. Dutta Chowdhury, G. Pieters, J. Hajek, K. De Wispelaere, M. Waroquier, J. Gascon, V. Van Speybroeck , JACS (Journal of the American Chemical Society) , 141 (37), 14823-14842 , 2019 , IF: 14.695 , 12/172 [Q1]
The impact of lattice vibrations on the macroscopic breathing behavior of MIL-53(Al) , A.E.J. Hoffman, J. Wieme, S.M.J. Rogge, L. Vanduyfhuys, V. Van Speybroeck , Zeitschrift für Kristallographie - Crystalline Materials , 234 (7-8), 529-545 , 2019 , IF: 1.408 , 17/26 [Q3]

2018

Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach , A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck , Journal of Physical Chemistry C , 122, 5, 2734-2746 , 2018 , IF: 4.309 , 60/293 [Q1]

Other Publications

B publications

2023

Operando Methods in Catalysis and Material Science , A.E.J. Hoffman, P. Cnudde, L. De Bruecker, S.M.J. Rogge, V. Van Speybroeck , Wiley-VCH , ISBN in press , 2023

Dissertations

(D2) , Combining experimental and computational research to investigate the properties of Metal-Organic Frameworks , A.E.J. Hoffman , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. H. Vrielinck , 2017

Keynote / Plenary / Invited talks

Talks

2022 - 2024

Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phonon properties , A.E.J. Hoffman, J. Wieme, I. Senkovska, A. Krylov, S. Kaskel, V. Van Speybroeck , MOF2022 , Dresden, Germany , Sun, 04/09/2022 to Wed, 07/09/2022

2021

Operando Raman spectroscopy to pinpoint the onset of deactivation in zeolites , A.E.J. Hoffman, I. Lezcano-Gonzalez, E. Campbell, M. Bocus, I.V. Sazanovich, M. Towrie, A.M. Beale, V. Van Speybroeck , The Netherlands' Catalysis and Chemistry Conference , online , Mon, 01/03/2021

2018

Towards a molecular level understanding of chemical and physical phenomena in metal-organic frameworks , J. Wieme, C. Caratelli, R. Demuynck, A. De Vos, J. Hajek, A.E.J. Hoffman, A. Lamaire, K. Lejaeghere, S.M.J. Rogge, S. Vandenbrande, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck , Congrès français des MOFs , Paris, France , Wed, 16/05/2018 to Thu, 17/05/2018

Posters

2021

Characterizing the effect of hydration on nuclear magnetic resonance properties in zeolites , S. Vanlommel, A.E.J. Hoffman, S. Smet, S. Radhakrishnan, V.C. Nair, J.A. Martens, E. Breynaert, V. Van Speybroeck , Water in Zeolites Workshop , Liblice Castle, Czech Republic , Sun, 19/09/2021 to Wed, 22/09/2021
Tuning terahertz vibrations to control flexibility in soft porous crystals , A.E.J. Hoffman, J. Wieme, I. Senkovska, A. Krylov, S.M.J. Rogge, S. Kaskel, V. Van Speybroeck , EuroMOF2021 , Krakow, Poland (online) , Mon, 13/09/2021 to Wed, 15/09/2021
Operando Raman spectroscopy to pinpoint the onset of deactivation in zeolites , A.E.J. Hoffman, I. Lezcano-Gonzalez, E. Campbell, M. Bocus, I.V. Sazanovich, M. Towrie, A.M. Beale, V. Van Speybroeck , FEZA 2021 , online , Mon, 05/07/2021 to Fri, 09/07/2021
Characterizing the effect of hydration on nuclear magnetic resonance properties in zeolites , S. Vanlommel, A.E.J. Hoffman, S. Smet, S. Radhakrishnan, V.C. Nair, J.A. Martens, E. Breynaert, V. Van Speybroeck , FEZA 2021 , Online , Mon, 05/07/2021 to Fri, 09/07/2021
Computational investigation into the nuclear magnetic resonance properties of zeolite ferrierite , S. Vanlommel, A.E.J. Hoffman, V. Van Speybroeck , MolSim 2021 , Online , Mon, 04/01/2021 to Fri, 15/01/2021

2019

Modifying the terahertz vibrations in MIL-53-type materials: The impact of building block substitution on the flexibility , A.E.J. Hoffman, J. Wieme, S.M.J. Rogge, L. Vanduyfhuys, V. Van Speybroeck , FlexMOF Symposium 2019 , Dresden, Germany , Tue, 03/12/2019 to Thu, 05/12/2019
Modifying the terahertz vibrations in MIL-53-type materials: The impact of building block substitution on the flexibility , A.E.J. Hoffman, J. Wieme, S.M.J. Rogge, L. Vanduyfhuys, V. Van Speybroeck , EuroMOF2019 , Paris, France , Sun, 27/10/2019 to Wed, 30/10/2019
Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy , A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck , MOFSIM2019 , Ghent, Belgium , Wed, 10/04/2019 to Fri, 12/04/2019

2018

Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy , A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck , Computational spectroscopy: bridging theory and experiment , Como, Italy , Sun, 09/09/2018 to Fri, 14/09/2018
Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy , A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck , Ab initio modeling in solid state chemistry , Torino, Italy , Sun, 02/09/2018 to Fri, 07/09/2018
Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach , A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, S.M.J. Rogge, J. Wieme, P. Van der Voort, H. Vrielinck, V. Van Speybroeck , MolSim 2018 , Amsterdam, The Netherlands , Thu, 11/01/2018

2017

Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach , A.E.J. Hoffman, L. Vanduyfhuys, I. Nevjestic, J. Wieme, S.M.J. Rogge, H. Depauw, P. Van der Voort, H. Vrielinck, V. Van Speybroeck , EUROMOF 2017 , Delft, The Netherlands , Mon, 30/10/2017

Funding