Alexander Hoffman

Publications

A1 publications

Published

2023

[A1 Publication] A Critical Assessment on Calculating Vibrational Spectra in Nanostructured Materials

Authors

Hoffman A. E. J.; Temmerman W.; Campbell E.; Damin A. A.; Lezcano-Gonzalez I.; Beale A. M.; Bordiga S.; Hofkens J.; Van Speybroeck V.

Journal of Chemical Theory and Computation 2023. 20(2): 513 - 531. IF: 5.7 52/178 [Q2]

http://dx.doi.org/10.1021/acs.jctc.3c00942

[A1 Publication] The role of phonons in switchable MOFs: a model material perspective

Authors

Hoffman A. E. J.; Senkovska I.; Van Speybroeck V.; Kaskel S.

Journal of Materials Chemistry A 2023. 11(28): 15286 - 15300. IF: 10.8 46/439 [Q1]

http://dx.doi.org/10.1039/d3ta02214e

[A1 Publication] Understanding the phase transition mechanism in the lead-halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy

Authors

Hoffman A. E. J.; Saha R. A.; Borgmans S.; Puech P.; Braeckevelt T.; Steele J. A.; Hofkens J.; Van Speybroeck V.

APL Materials 2023. 11(4): 041124. IF: 5.3 122/439 [Q2]

http://dx.doi.org/10.1063/5.0144344

[A1 Publication] Microscopic Linker Distribution in Mixed-Linker Zeolitic Imidazolate Frameworks via Computational Raman Spectroscopy: Implications for Gas Separation

Authors

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

ACS Applied Nano Materials 2023. 6(7): 5645 - 5652. IF: 5.3 122/439 [Q2]

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

2022

[A1 Publication] How water and ion mobility affect the NMR fingerprints of the hydrated JBW zeolite: a combined computational-experimental investigation

Authors

Vanlommel S.; Hoffman A. E. J.; Smet S.; Radhakrishnan S.; Asselman K.; Chandran C. V.; Breynaert E.; Kirschhock C.; Martens J. A.; Van Speybroeck V.

Chemistry-A European Journal 2022. 28(68): e202202621. IF: 4.3 66/178 [Q2]

https://doi.org/10.1002/chem.202202621

[A1 Publication] Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phase transitions

Authors

Hoffman A. E. J.; Senkovska I.; Wieme J.; Krylov A.; Kaskel S.; Van Speybroeck V.

Journal of Materials Chemistry A 2022. 10(33): 17254-17266. IF: 11.9 11/119 [Q1]

http://dx.doi.org/10.1039/d2ta01678h

2021

[A1 Publication] Towards modeling spatiotemporal processes in metal–organic frameworks

Authors

Van Speybroeck V.; Vandenhaute S.; Hoffman A. E. J.; Rogge S. M. J.

Trends in Chemistry 2021. 3(8): 605 - 619. IF: 22.448 9/179 [Q1]

http://dx.doi.org/10.1016/j.trechm.2021.04.003

[A1 Publication] Identification of vanadium dopant sites in the metal–organic framework DUT-5(Al)

Authors

Maes K.; Martin L. I. D. J.; Khelifi S.; Hoffman A. E. J.; Leus K.; Van Der Voort P.; Goovaerts E.; Smet P. F.; Van Speybroeck V.; Callens F.; Vrielinck H.

Physical Chemistry Chemical Physics 2021. 23(12): 7088 - 7100. IF: 3.945 9/36 [Q1]

http://dx.doi.org/10.1039/D1CP00695A

[A1 Publication] 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

Authors

Lamaire A.; Wieme J.; Hoffman A. E. J.; Van Speybroeck V.

Faraday Discussions 2021. 225: 301 - 323. IF: 4.394 72/765 [Q2]

http://dx.doi.org/10.1039/D0FD00025F

2020

[A1 Publication] Theoretical and Spectroscopic Evidence of the Dynamic Nature of Copper Active Sites in Cu-CHA Catalysts under Selective Catalytic Reduction (NH3–SCR–NOx) Conditions

Authors

Millan R.; Cnudde P.; Hoffman A. E. J.; Lopes C. W.; Concepcion P.; Van Speybroeck V.; Boronat M.

Journal of Physical Chemistry Letters 2020. 11(23): 10060 - 10066. IF: 6.475 3/37 [Q1]

http://dx.doi.org/10.1021/acs.jpclett.0c03020

[A1 Publication] Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts

Authors

Lezcano-Gonzalez I.; Campbell E.; Hoffman A. E. J.; Bocus M.; Sazanovich I. V.; Towrie M.; Agote-Aran M.; Gibson E. K.; Greenaway A.; De Wispelaere K.; Van Speybroeck V.; Beale A. M.

Nature Materials 2020. 19(10): 1081 - . IF: 43.841 1/162 [Q1]

http://dx.doi.org/10.1038/s41563-020-0800-y

[A1 Publication] Engineering a highly defective stable UiO-66 with tunable Lewis-Brønsted acidity - The role of the hemilabile linker

Authors

Feng X.; Hajek J.; Jena H. S.; Wang G.; Veerapandian S. K. P.; Morent R.; De Geyter N.; Leyssens K.; Hoffman A. E. J.; Meynen V.; Marquez C.; De Vos D.; Van Speybroeck V.; Leus K.; Van Der Voort P.

Journal of the American Chemical Society 2020. 142(6): 3174-3183. IF: 15.419 15/178 [Q1]

http://dx.doi.org/10.1021/jacs.9b13070

2019

[A1 Publication] A Supramolecular View on the Cooperative Role of Bronsted and Lewis Acid Sites in Zeolites for Methanol Conversion

Authors

Bailleul S.; Yarulina I.; Hoffman A. E. J.; Dokania A.; Abou-Hamad E.; Dutta Chowdhury A.; Pieters G.; Hajek J.; De Wispelaere K.; Waroquier M.; Gascon J.; Van Speybroeck V.

Journal of the American Chemical Society 2019. 141(37): 14823 - 14842. IF: 14.612 13/177 [Q1]

https://doi.org/10.1021/jacs.9b07484

[A1 Publication] The impact of lattice vibrations on the macroscopic breathing behavior of MIL-53(Al)

Authors

Hoffman A. E. J.; Wieme J.; Rogge S. M. J.; Vanduyfhuys L.; Van Speybroeck V.

Zeitschrift für Kristallographie - Crystalline Materials 2019. 234(7-8): 529 - 545.

http://dx.doi.org/10.1515/zkri-2018-2154

2018

[A1 Publication] Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach

Authors

Hoffman A. E. J.; Vanduyfhuys L.; Nevjestic I.; Wieme J.; Rogge S. M. J.; Depauw H.; Van Der Voort P.; Vrielinck H.; Van Speybroeck V.

Journal of Physical Chemistry C 2018. 122(5): 2734 - 2746.

http://dx.doi.org/10.1021/acs.jpcc.7b11031

Other publications

Books [B1/B2/B3]

Book chapter

Dissertations [MSc and PhD]

PhD thesis

2023

[PhD Thesis] Unraveling Phase Transformations and Reactivity in Functional Nanostructured Materials Using Computational Vibrational Spectroscopy

Authors

Hoffman A. E. J.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

Doctor of Engineering: Physics, 31/08/2023.

Master thesis

2017

[MSc Thesis] Combining experimental and computational research to investigate the properties of Metal-Organic Frameworks

Authors

Hoffman A. E. J.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr.

Vrielinck H.

Master of Science in Engineering Physics, 2017.

Talks

2022

[Talk] Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phonon properties

Authors

Hoffman A. E. J.; Wieme J.; Senkovska I.; Krylov A.; Kaskel S.; Van Speybroeck V.

MOF2022: 8th International Conference on Metal-Organic Frameworks and Open Framework Compounds, Dresden, DE, 04/09/2022 - 07/09/2022

2021

[Talk] Operando Raman spectroscopy to pinpoint the onset of deactivation in zeolites

Authors

Hoffman A. E. J.; Lezcano-Gonzalez I.; Campbell E.; Bocus M.; Sazanovich I. V.; Towrie M.; Beale A. M.; Van Speybroeck V.

NCCC XXII, Noordwijkerhout, NL, 01/03/2021

2018

[Talk] Towards a molecular level understanding of chemical and physical phenomena in metal-organic frameworks

Authors

Wieme J.; Caratelli C.; Demuynck R.; De Vos A.; Hajek J.; Hoffman A. E. J.; Lamaire A.; Lejaeghere K.; Rogge S. M. J.; Vandenbrande S.; Vanduyfhuys L.; Waroquier M.; Van Speybroeck V.

Congrès français des MOFs, Paris, FR, 16/05/2018 - 17/05/2018

Posters

2023

[Poster] Characterizing the effect of hydration on nuclear magnetic resonance properties in zeolites

Authors

Vanlommel S.; Hoffman A. E. J.; Smet S.; Radhakrishnan S.; Asselman K.; Chandran C. V.; Breynaert E.; Kirschhock C.; Martens J. A.; Van Speybroeck V.

SMARTER7, Leuven, BE, 18/09/2023 - 20/09/2023

2021

[Poster] Tuning terahertz vibrations to control flexibility in soft porous crystals

Authors

Hoffman A. E. J.; Wieme J.; Senkovska I.; Krylov A.; Rogge S. M. J.; Kaskel S.; Van Speybroeck V.

EuroMOF2021: 4th European Conference on Metal Organic Frameworks and Porous Polymers, Kraków, PL, 13/09/2021 - 15/09/2021

[Poster] Characterizing the effect of hydration on nuclear magnetic resonance properties in zeolites

Authors

Vanlommel S.; Hoffman A. E. J.; Smet S.; Radhakrishnan S.; Nair V.C.; Martens J. A.; Breynaert E.; Van Speybroeck V.

Water in Zeolites Workshop, Liblice Castle, CZ, 19/09/2021 - 22/09/2021

[Poster] Operando Raman spectroscopy to pinpoint the onset of deactivation in zeolites

Authors

Hoffman A. E. J.; Lezcano-Gonzalez I.; Campbell E.; Bocus M.; Sazanovich I. V.; Towrie M.; Beale A. M.; Van Speybroeck V.

FEZA 2021 - 8th Conference of the Federation of European Zeolite Associations, St Andrews (online), GB, 05/07/2021 - 09/07/2021

[Poster] Characterizing the effect of hydration on nuclear magnetic resonance properties in zeolites

Authors

Vanlommel S.; Hoffman A. E. J.; Smet S.; Radhakrishnan S.; Nair V.C.; Martens J. A.; Breynaert E.; Van Speybroeck V.

FEZA 2021 - 8th Conference of the Federation of European Zeolite Associations, St Andrews (online), GB, 05/07/2021 - 09/07/2021

[Poster] Computational investigation into the nuclear magnetic resonance properties of zeolite ferrierite

Authors

Vanlommel S.; Hoffman A. E. J.; Van Speybroeck V.

MolSim 2021, 04/01/2021 - 15/01/2021

2019

[Poster] Modifying the terahertz vibrations in MIL-53-type materials: The impact of building block substitution on the flexibility

Authors

Hoffman A. E. J.; Wieme J.; Rogge S. M. J.; Vanduyfhuys L.; Van Speybroeck V.

FlexMOF Symposium 2019, Dresden, DE, 03/12/2019 - 05/12/2019

[Poster] Modifying the terahertz vibrations in MIL-53-type materials: The impact of building block substitution on the flexibility

Authors

Hoffman A. E. J.; Wieme J.; Rogge S. M. J.; Vanduyfhuys L.; Van Speybroeck V.

EuroMOF2019: 3rd European Conference on Metal Organic Frameworks and Porous Polymers, Paris, FR, 27/10/2019 - 30/10/2019

[Poster] Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy

Authors

Hoffman A. E. J.; Vanduyfhuys L.; Nevjestic I.; Wieme J.; Rogge S. M. J.; Depauw H.; Van Der Voort P.; Vrielinck H.; Van Speybroeck V.

MOFSIM2019, Ghent, BE, 10/04/2019 - 12/04/2019

2018

[Poster] Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy

Authors

Hoffman A. E. J.; Vanduyfhuys L.; Nevjestic I.; Wieme J.; Rogge S. M. J.; Depauw H.; Van Der Voort P.; Vrielinck H.; Van Speybroeck V.

Computational spectroscopy: bridging theory and experiment, Como, IT, 09/09/2018 - 14/09/2018

[Poster] Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy

Authors

Hoffman A. E. J.; Vanduyfhuys L.; Nevjestic I.; Wieme J.; Rogge S. M. J.; Depauw H.; Van Der Voort P.; Vrielinck H.; Van Speybroeck V.

MSSC2018 - Ab initio Modeling in Solid State Chemistry, Torino, IT, 02/09/2018 - 07/09/2018

[Poster] Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach

Authors

Hoffman A. E. J.; Vanduyfhuys L.; Nevjestic I.; Rogge S. M. J.; Wieme J.; Van Der Voort P.; Vrielinck H.; Van Speybroeck V.

MolSim 2018, Amsterdam, NL, 08/01/2018 - 19/01/2018

2017

[Poster] Elucidating the Vibrational Fingerprint of the Flexible Metal-Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach

Authors

Hoffman A. E. J.; Vanduyfhuys L.; Nevjestic I.; Wieme J.; Rogge S. M. J.; Depauw H.; Van Der Voort P.; Vrielinck H.; Van Speybroeck V.

EuroMOF2017: 2nd European Conference on Metal Organic Frameworks and Porous Polymers, Delft, NL, 29/10/2017 - 01/11/2017

2022

[Poster] Atomistic insight in the ﬂexibility and heat transport properties of MIL-53(Al) for water-adsorption applications

Authors

Lamaire A.; Wieme J.; Hoffman A. E. J.; Van Speybroeck V.

MOF2022: 8th International Conference on Metal-Organic Frameworks and Open Framework Compounds, Dresden, DE, 04/09/2022 - 07/09/2022

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

Alexander.Hoffman@ugent.be

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Alexander Hoffman

Publications

A1 publications

Published

2023

2022

2021

2020

2019

2018

Other publications

Books [B1/B2/B3]

Book chapter

Dissertations [MSc and PhD]

PhD thesis

2023

Master thesis

2017

Talks

2022

2021

2018

Posters

2023

2021

2019

2018

2017

2022

Contact information

References