28 citations · 47 across the 5 of their papers we have counts for
5 papers
On the Role of Interlayer Electrons on the Frictional Behavior of Two-Dimensional Electrides
Jingcheng Qi, Giuliana Materzanini, Gian-Marco Rignanese +2
Friction accounts for up to 30% of global energy consumption, underscoring the urgent need for superlubricity in advanced materials. Two-dimensional (2D) electrides are layered mat…
Lithium Intercalation in the Anisotropic van der Waals Magnetic Semiconductor CrSBr
Kseniia Mosina, Aljoscha Söll, Jiri Sturala +9
Alkali metal intercalation is an important strategy for doping van der Waals materials. Lithium, in particular, was shown to achieve exceptional charge carrier densities, reaching…
Systematic assessment of various universal machine-learning interatomic potentials
Haochen Yu, Matteo Giantomassi, Giuliana Materzanini +2
Machine-learning interatomic potentials have revolutionized materials modeling at the atomic scale. Thanks to these, it is now indeed possible to perform simulations of \abinitio q…
Electrolytes for Li-ion all-solid-state batteries: a first-principles comparative study of Li10GeP2O12 and Li10GeP2S12 in the LISICON and LGPS phases
Giuliana Materzanini, Leonid Kahle, Aris Marcolongo +1
In this work we address Li-ion diffusion in thio-LISICON materials and in their oxide counterparts, exploring both the orthorhombic and tetragonal phases of Li10GeP2S12(LGPS) and L…
Li4-xGe1-xPxO4 a potential solid-state electrolyte for all-oxide microbatteries
E. Gilardi, G. Materzanini, L. Kahle +7
Solid-state electrolytes for Li-ion batteries are attracting growing interest as they allow building safer batteries, also using lithium metal anodes. Here we studied a compound in…