39 citations · 92 across the 4 of their papers we have counts for
4 papers
Understanding the origin of the particularly small and anisotropic thermal expansion of MOF-74
Tomas Kamencek, Benedikt Schrode, Roland Resel +2
Metal-organic frameworks often display large positive or negative thermal expansion coefficients. MOF-74, a material envisioned for many applications does not display such a behavi…
Identifying the Bottleneck for Heat Transport in Metal-Organic Frameworks
Sandro Wieser, Tomas Kamencek, Johannes P. Dürholt +3
Controlling the transport of thermal energy is key to most applications of metal-organic frameworks. Analyzing the evolution of the effective local temperature, the interfaces betw…
Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene
Tomas Kamencek, Sandro Wieser, Hirotaka Kojima +4
Phonons crucially impact a variety of properties of organic semiconductor materials. For instance, charge- and heat transport depend on low-frequency phonons, while for other prope…
Understanding Phonon Properties in Isoreticular Metal-Organic Frameworks from First Principles
Tomas Kamencek, Natalia Bedoya-Martínez, Egbert Zojer
Metal-organic frameworks (MOFs) are crystalline materials consisting of metal centers and organic linkers forming open and porous structures. They have been extensively studied due…