30 citations · 30 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2020★ 30 cited
Local distortions and dynamics in hydrated Y-doped BaZrO
Amangeldi Torayev, Luke Sperrin, Maria A. Gomez +3
Y-doped BaZrO is a promising proton conductor for intermediate temperature solid oxide fuel cells. In this work, a combination of static DFT calculations and DFT based molecula…
physics.chem-ph2017
Microscopic dynamics of charge separation at the aqueous electrochemical interface
John A. Kattirtzi, David T. Limmer, Adam P. Willard
We have used molecular simulation and methods of importance sampling to study the thermodynamics and kinetics of ionic charge separation at a liquid water-metal interface. We have…