Unraveling Phase Transformations and Reactivity in Functional Nanostructured Materials Using Computational Vibrational Spectroscopy
Thu, 31/08/2023
iGent tower, Technologiepark, Zwijnaarde
A. Hoffman
Atomistic insight in the flexibility and heat transport properties of MIL-53(Al) for water-adsorption applications
ISBN/ISSN:
Poster
Conference / event / venue
MOF2022
Dresden, Germany
Monday, 5 September, 2022 to Tuesday, 6 September, 2022
One crystal, two phases: Designing phase coexistence in metal-organic frameworks for nanosensing and -actuating
No more randomness: computational NMR to spatially resolve the aluminum distribution in zeolites
Increasing the accuracy of quantum-mechanical simulations for strongly correlated functional materials by designing effective Hamiltonians
Defect engineering in UiO-66 following a combined experimental/theoretical approach
Computation and partitioning of nanoconfined water spectra
