93 citations · 363 across the 16 of their papers we have counts for
4 papers · 1 filter
A criticial view on e occupancy as a descriptor for oxygen evolution catalytic activity in LiMnO nanoparticles
Florian Schönewald, Marco Eckhoff, Max Baumung +4
We investigate the effect of the surface electronic structure and composition of LiMnO nanoparticles on the electrocatalytic oxygen evolution reaction (OER). Scanning trans…
Predicting Oxidation and Spin States by High-Dimensional Neural Networks: Applications to Lithium Manganese Oxide Spinels
Marco Eckhoff, Knut Nikolas Lausch, Peter E. Blöchl +1
Lithium ion batteries often contain transition metal oxides like LiMnO (). Depending on the Li content different ratios of Mn to Mn$^\text{…
Closing the gap between theory and experiment for lithium manganese oxide spinels using a high-dimensional neural network potential
Marco Eckhoff, Florian Schönewald, Marcel Risch +3
Many positive electrode materials in lithium ion batteries include transition metals which are difficult to describe by electronic structure methods like density functional theory…
A Hybrid Density Functional Theory Benchmark Study on Lithium Manganese Oxides
Marco Eckhoff, Peter E. Blöchl, Jörg Behler
The lithium manganese oxide spinel LiMnO, with , is an important example for cathode materials in lithium ion batteries. However, an accurate description…