13 citations · 13 across the 4 of their papers we have counts for
3 papers · 1 filter
Theory of defect-mediated ionic transport in Li, Na and K beta and beta prime prime aluminas
Suchit Negi, Alexandra Carvalho, A. H. Castro Neto
Alkali metal / aluminas are among the fastest ionic conductors, yet little is understood about the role of defects in the ion transport mechanism. Here, we use…
Direct calculation of the ionic mobility in superionic conductors
Alexandra Carvalho, Suchit Negi, Antonio Helio Castro Neto
We describe an approach based on non-equilibrium molecular dynamics (NEMD) simulations to calculate the ionic mobility of solid ion conductors such as solid electrolytes from first…
Edge-Driven Phase Transitions in 2D Ice
Suchit Negi, Alexandra Carvalho, Maxim Trushin +1
2D water, confined by atomically flat layered materials, may transit into various crystalline phases even at room temperature. However, to gain full control over the crystalline st…