65 citations · 72 across the 8 of their papers we have counts for
5 papers · 1 filter
Dual quantum locking: Dynamic coupling of hydrogen and water sublattices in hydrogen filled ice
Loan Renaud, Tomasz Poreba, Simone Di Cataldo +7
Hydrogen hydrates (HH) are a unique class of materials composed of hydrogen molecules confined within crystalline water frameworks. Among their multiple phases, the filled ice stru…
Hydrogen bond symmetrization in high-pressure ice clathrates
Lorenzo Monacelli, Maria Rescigno, Alasdair Nicholls +3
Hydrogen bond symmetrization is a fundamental pressure-induced transformation in which the distinction between donor and acceptor sites vanishes, resulting in a symmetric hydrogen-…
Vacancy-Controlled Superconductivity in Rock-Salt Carbides: Towards Predictive Modelling of Real-World Superconductors
Simone Di Cataldo, William Cursio, Lilia Boeri
We critically reexamine the superconducting properties of rock-salt transition-metal carbides (TMCs), often regarded as textbook conventional superconductors, combining first-princ…
Superconducting phase diagram of finite-layer nickelates NdNiO
Andreas Hausoel, Simone Di Cataldo, Motoharu Kitatani +2
Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting vs. the number of lay…
Energy filtering-induced ultrahigh thermoelectric power factors in NiGe
Fabian Garmroudi, Simone Di Cataldo, Michael Parzer +15
Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Novel pathways to optimize elect…