133 citations · 378 across the 15 of their papers we have counts for
17 papers
Origins of Pressure-Enhanced Thermal Transport in Organic Semiconductors
Lukas Legenstein, Sandro Wieser, Michele Simoncelli +1
While pressure is known to dramatically alter the electronic properties of organic semiconductors, its impact on their thermal conductivity remains poorly understood. We combine ma…
Cepstral Analysis to accelerate Green-Kubo thermal conductivity calculations of Metal-Organic Frameworks
Florian P. Lindner, Egbert Zojer, Sandro Wieser
Metal-organic frameworks (MOFs) are promising porous materials for applications such as gas storage and separation, where heat transport can critically affect device performance. H…
Influence of pore-confined water on the thermal expansion of a zinc-based metal-organic framework
Nina Strasser, Benedikt Schrode, Ana Torvisco +7
Understanding the reversible intercalation of guest molecules into metal-organic frameworks is crucial for advancing their design for practical applications. In this work, we explo…
Analyzing Heat Transport in Crystalline Polymers in Real and Reciprocal Space
Lukas Reicht, Lukas Legenstein, Sandro Wieser +1
Heat transport can be modelled with a variety of approaches in real space (using molecular dynamics) or in reciprocal space (using the Boltzmann transport equation). Employing two…
Heat transport in crystalline organic semiconductors: coexistence of phonon propagation and tunneling
Lukas Legenstein, Lukas Reicht, Sandro Wieser +2
Understanding heat transport in organic semiconductors is of fundamental and practical relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo)acene…
Combining Brillouin spectroscopy and machine learned interatomic potentials to probe mechanical properties of metal organic frameworks
Florian P. Lindner, Nina Strasser, Martin Schultze +6
The mechanical properties of metal-organic frameworks (MOFs) are of high fundamental and also practical relevance. A particularly intriguing technique for determining anisotropic e…