3 citations · 3 across the 4 of their papers we have counts for
5 papers
Extreme anharmonicity determines the superionic transition in the prototypical antifluorite LiO
Lorenzo Bastonero, Chiara Cignarella, Nicola Marzari +1
Superionic conductors are promising electrolyte candidates for all-solid-state batteries, thanks to their liquid-like ionic mobility. In the prototypical lithium-ion oxide superion…
Predicting challenging phase transitions with Bayesian active learning
Lorenzo Bastonero, Gabriel Joalland, Chiara Cignarella +2
Materials underpin modern technologies, from energy harvesting, storage, and conversion to information and communication technologies. Their functionality is often governed by the…
Quasiparticle effects and strong excitonic features in exfoliable 1D semiconducting materials
Simone Grillo, Chiara Cignarella, Friedhelm Bechstedt +5
We report a comprehensive first-principles study of the electronic and optical properties of recently identified exfoliable one-dimensional semiconducting materials, focusing on ch…
Extreme anharmonicity and thermal contraction of 1D wires
Chiara Cignarella, Lorenzo Bastonero, Lorenzo Monacelli +1
Ultrathin nanowires could play a central role in next-generation downscaled electronics. Here, we explore some of the most promising candidates identified from previous high-throug…
Searching for the thinnest metallic wire
Chiara Cignarella, Davide Campi, Nicola Marzari
One-dimensional materials have gained much attention in the last decades: from carbon nanotubes to ultrathin nanowires, to few-atom atomic chains, these can all display unique elec…