647 citations · 884 across the 21 of their papers we have counts for
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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…
Bond-Network Entropy Governs Heat Transport in Coordination-Disordered Solids
Kamil Iwanowski, Gábor Csányi, Michele Simoncelli
Understanding how the vibrational and thermal properties of solids are influenced by atomistic structural disorder is of fundamental scientific interest, and paramount to designing…
Imaging heat transport in suspended diamond nanostructures with integrated spin defect thermometers
Valentin Goblot, Kexin Wu, Enrico Di Lucente +8
Among all materials, mono-crystalline diamond has one of the highest measured thermal conductivities, with values above 2000 W/m/K at room temperature. This stems from momentum-con…
Defect-tolerant electron and defect-sensitive phonon transport in quasi-2D conjugated coordination polymers
Hio-Ieng Un, Kamil Iwanowski, Jordi Ferrer Orri +7
Thermoelectric materials, enabling direct waste-heat to electricity conversion, need to be highly electrically conducting while simultaneously thermally insulating. This is fundame…
Thermal Conductivity Predictions with Foundation Atomistic Models
Balázs Póta, Paramvir Ahlawat, Gábor Csányi +1
Advances in machine learning have led to the development of foundation models for atomistic materials chemistry, enabling quantum-accurate descriptions of interatomic forces across…
Lattice distortion leads to glassy thermal transport in crystalline CsBiICl
Zezhu Zeng, Zheyong Fan, Michele Simoncelli +5
The glassy thermal conductivities observed in crystalline inorganic perovskites such as CsBiICl is perplexing and lacking theoretical explanations. Here, we first e…
Temperature-invariant heat conductivity from compensating crystalline and glassy transport: from the Steinbach meteorite to furnace bricks
Michele Simoncelli, Daniele Fournier, Massimiliano Marangolo +6
The thermal conductivities of crystals and glasses vary strongly and with opposite trends upon heating, decreasing in crystals and increasing in glasses. Here, we show--both with f…