66 citations · 109 across the 8 of their papers we have counts for
6 papers · 1 filter
Tracking the Lithiation State of LiSi from Machine-Learned XPS Binding Energies
Michael Alejandro Hernandez Bertran, Davide Tisi, Federico Grasselli +3
X-ray Photoelectron Spectroscopy (XPS) is a powerful technique to probe chemical states and interfacial processes in battery materials, but a quantitative interpretation is often h…
Mechanistic study of mixed lithium halides solid state electrolytes
Davide Tisi, Sergey Pozdnyakov, Michele Ceriotti
Lithium halides with the general formula LiMX, where M indicates metal ions and X halide anions are very actively studied as solid-state electrolytes, because of relati…
Reconstructions and Dynamics of -Lithium Thiophosphate Surfaces
Hanna Türk, Davide Tisi, Michele Ceriotti
Lithium thiophosphate (LPS) is a promising solid electrolyte for next-generation lithium-ion batteries due to its superior energy storage, high ionic conductivity, and low-flammabi…
PET-MAD, a lightweight universal interatomic potential for advanced materials modeling
Arslan Mazitov, Filippo Bigi, Matthias Kellner +6
Machine-learning interatomic potentials (MLIPs) have greatly extended the reach of atomic-scale simulations, offering the accuracy of first-principles calculations at a fraction of…
Thermal conductivity of LiPS solid electrolytes with ab initio accuracy
Davide Tisi, Federico Grasselli, Lorenzo Gigli +1
The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been sc…
Mechanism of charge transport in lithium thiophosphate
Lorenzo Gigli, Davide Tisi, Federico Grasselli +1
Lithium ortho-thiophosphate (LiPS) has emerged as a promising candidate for solid-state-electrolyte batteries, thanks to its highly conductive phases, cheap components, and…