13 citations · 14 across the 3 of their papers we have counts for
4 papers · 1 filter
The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries -- across the entire functional range of charge
Simon Anniés, Christoph Scheurer, Chiara Panosetti
Lithium-graphite intercalation compounds (Li-GICs) are the most common anode material for modern Li-ion batteries. However, the dielectric response of this material in the electros…
Interface between graphene and liquid Cu from molecular dynamics simulations
Juan Santiago Cingolani, Martin Deimel, Simone Köcher +3
Controllable synthesis of defect-free graphene is crucial for applications since the properties of graphene are highly sensitive to any deviations from the crystalline lattice. We…
IrO2 Surface Complexions Identified Through Machine Learning and Surface Investigations
Jakob Timmermann, Florian Kraushofer, Nikolaus Resch +11
A Gaussian Approximation Potential (GAP) was trained using density-functional theory data to enable a global geometry optimization of low-index rutile IrO2 facets through simulated…
Mobile Small Polarons Explain Conductivity in Lithium Titanium Oxide Battery Electrodes
Matthias Kick, Cristina Grosu, Markus Schuderer +2
Lithium titanium oxide LiTiO (LTO) is an intriguing anode material promising particularly long lived batteries, due to its remarkable phase stability during (dis)cha…