Computational modelling and experimental characterisation of Metal-Organic Frameworks and organic semiconductors
Contact information
My research interests include
- Structure-to-property relations for phonon-related properties
- Phonon engineering: design materials with desired (vibrational) properties
- Understanding heat transport in metal-organic frameworks and organic semiconductors
- Computational modelling of MOFs
- Determination of crystal structures combining simulations and Raman scattering techniques
which I study (mostly) with the these techniques:
- Density Functional Theory
- Raman Spectroscopy
Recent Publications
Most recent paper on arXiv:
-
Most recent publications in a journal:
Understanding the origin of the particularly small and anisotropic thermal expansion of MOF-74
Discovering structure–property relationships for the phonon band structures of hydrocarbon-based organic semiconductor crystals: the instructive case of acenes
Understanding the Anisotropic Elastic Properties of Metal–Organic Frameworks at the Nanoscale: The Instructive Example of MOF-74
Semi‐Automatic Deposition of Oriented Cu(OH) 2 Nanobelts for the Heteroepitaxial Growth of Metal–Organic Framework Films
Identifying the Bottleneck for Heat Transport in Metal–Organic Frameworks
Understanding the origin of serrated stacking motifs in planar two-dimensional covalent organic frameworks
Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene
Understanding Phonon Properties in Isoreticular Metal-Organic Frameworks from First Principles
Recent talks and posters
EUROMAT 2021 (oral)
EUROMOF 2021 (Best Poster Award)
Pacific Rim Meeting on Electrochemical and Solid State Science 2021 (oral, invited)
March Meeting of the American Physical Society 2021 (oral)
EUROMOF 2019 (Poster)
Summer School Porous Materials @ Work (Best Poster Award)
Meeting of the German Physical Society, April 2019, Regensburg
-->
last updated: 19 January 2022
| 
Institute of Solid State Physics
