TY - JOUR A1 - Schultze, T. A1 - Arnold, J. A1 - Grieshammer, S. T1 - Ab Initio Investigation of Migration Mechanisms in La Apatites JF - ACS Appl. Energy Mater Y1 - 2019 U6 - http://dx.doi.org/10.1021/acsaem.9b00226 VL - 2 SP - 4708 EP - 4717 ER - TY - JOUR A1 - Schütt, J. A1 - Schultze, T. A1 - Grieshammer, S. T1 - Oxygen ion migration and conductivity in LaSrGa3O7 melilites from first principles JF - Chem. Mater Y1 - 2020 U6 - http://dx.doi.org/10.1021/acs.chemmater.9b04599 VL - 32 SP - 4442 EP - 4450 ER - TY - JOUR A1 - Schultze, T. A1 - Schuett, J. A1 - Knappe, M. A1 - Neitzel-Grieshammer, S. T1 - Theoretical Modeling of Oxide Ion Conductivity in Doped LaSrGa3O7 Melilites Y1 - 2022 U6 - http://dx.doi.org/10.1021/acs.jpcc.2c05768 ER -