89 citations · 135 across the 12 of their papers we have counts for
3 papers · 1 filter
Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte LiPSCl using machine-learning interatomic potentials
Yongliang Ou, Yuji Ikeda, Lena Scholz +3
LiPSCl is a promising candidate for the solid electrolyte in all-solid-state Li-ion batteries. In applications, this material is in a polycrystalline state with grain bound…
Mechanism of anatase-to-columbite TiO2 phase transformation via sheared phases: first-principles calculations and high-pressure torsion experiments
Jacqueline Hidalgo-Jimenez, Taner Akbay, Yuji Ikeda +2
High-pressure torsion (HPT) can facilitate phase transformations in titanium dioxide (TiO2) and stabilize its high-pressure columbite phase, as an active photocatalyst, by shear st…
Machine learning to explore high-entropy alloys with desired enthalpy for room-temperature hydrogen storage: Prediction of density functional theory and experimental data
Shivam Dangwal, Yuji Ikeda, Blazej Grabowski +1
Safe and high-density storage of hydrogen, for a clean-fuel economy, can be realized by hydride-forming materials, but these materials should be able to store hydrogen at room temp…