Regensburg 2025 – scientific programme

Parts | Days | Selection | Search | Updates | Downloads | Help

MM: Fachverband Metall- und Materialphysik

MM 14: Materials for the Storage and Conversion of Energy (joint session MM/KFM)

MM 14.3: Talk

Tuesday, March 18, 2025, 14:30–14:45, H22

MnTiO₃ as a Carbon-Free Cathode for Rechargeable Li-oxygen Batteries — Doaa Ahmed^1,2, Wernfried Mayr-Schmölzer¹, Mustafa Çelik^3,4, Abdulkadir Kizilaslan^3,4, and •Gregor Vonbun-Feldbauer^1,2 — 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