2 papers
cond-mat.mtrl-sci2020
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…
cond-mat.mtrl-sci2020
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…