6533b7d6fe1ef96bd1265df4

RESEARCH PRODUCT

Interdependence of Oxygenation and Hydration in Mixed-Conducting (Ba,Sr)FeO3-δPerovskites Studied by Density Functional Theory

Maximilian F. HoedlEugene A. KotominEugene A. KotominRotraut MerkleDenis GryaznovJoachim Maier

subject

Materials science02 engineering and technologyElectronic structure010402 general chemistry021001 nanoscience & nanotechnology7. Clean energy01 natural sciencesCathode0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialslaw.inventionGeneral EnergyChemical engineering13. Climate actionlawvisual_artvisual_art.visual_art_medium:NATURAL SCIENCES:Physics [Research Subject Categories]Fuel cellsDensity functional theoryCeramicPhysical and Theoretical Chemistry0210 nano-technology

description

Financial support by the German–Israeli Foundation for Scientific Research and Development (grant I-1342-302.5/2016) and the Latvian Council of Science (grant lzp-2018/1-0147 (D.G., E.A.K.)) is gratefully acknowledged. The authors further thank Guntars Zvejnieks for help with CRYSTAL code calculations.

10.1021/acs.jpcc.0c01924https://dspace.lu.lv/dspace/handle/7/52496