2 papers
cond-mat.mtrl-sci2021
Atomistic calculations of charged point defects at grain boundaries in SrTiO
Cong Tao, Daniel Mutter, Daniel F. Urban +1
Oxygen vacancies have been identified to play an important role in accelerating grain growth in polycrystalline perovskite-oxide ceramics. In order to advance the fundamental under…
cond-mat.mtrl-sci2020
Atomistic analysis of Li migration in (LATP) solid electrolytes
Daniel Pfalzgraf, Daniel Mutter, Daniel F. Urban
We examine the ionic migration of Li in LATP [] solid electrolytes from an atomistic viewpoint by means of de…