Regensburg 2025 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 14: Materials for the Storage and Conversion of Energy (joint session MM/KFM)
MM 14.3: Vortrag
Dienstag, 18. März 2025, 14:30–14:45, H22
MnTiO3 as a Carbon-Free Cathode for Rechargeable Li-oxygen Batteries — Doaa Ahmed1,2, Wernfried Mayr-Schmölzer1, Mustafa Çelik3,4, Abdulkadir Kizilaslan3,4, and •Gregor Vonbun-Feldbauer1,2 — 1Institute of Advanced Ceramics, TU Hamburg, Germany — 2Institute of Soft Matter Modeling, TU Hamburg, Germany — 3Research, Development and Application Center (SARGEM), Sakarya University, Turkey — 4Department of Metallurgical and Materials Engineering, Engineering Faculty, Sakarya University, Turkey
Lithium-oxygen batteries (LOB) are promising energy storage systems due to their high theoretical energy density. However, their main challenges are the sluggish kinetics of oxygen reduction and evolution reactions (ORR/OER) and high charge overpotentials. To overcome these challenges, the development of a suitable catalyst is crucial. Here, MnTiO3 was investigated as a carbon-free cathode catalyst using density functional theory (DFT) calculations and experimental approaches. DFT calculations revealed the coexistence of Mn and Ti energy levels near the Fermi level of MnTiO3, which facilitates ORR/OER. This feature endows MnTiO3 with a bifunctional role in promoting battery performance. Our DFT-based investigation further elucidates the surface stability and catalytic properties of MnTiO3. In addition, experiments confirm that the electrochemical reactions on MnTiO3 follow a two-electron pathway. LOBs with MnTiO3 exhibit a total overpotential of 1.18 V and 1.55 V from DFT and electrochemical measurements, respectively, and current densities up to 1 A/g.
Keywords: Lithium; Batteries; Metal-oxygen battery; Density Functional Theory; Oxide