Poidevin, C.; Stoychev, G. L.; Riplinger, C.; Auer, A. A. High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding Constants. Journal of Chemical Theory and Computation2022, 18, 2408–2417.
Bhattacharyya, K.; Poidevin, C.; Auer, A. A. Structure and Reactivity of IrOx Nanoparticles for the Oxygen Evolution Reaction in Electrocatalysis: An Electronic Structure Theory Study. The Journal of Physical Chemistry C2021, 125, 4379–4390.
Poidevin, C.; Auer, A. A. Investigating the Stability of Graphitic Carbon Materials in Electrocatalysis Using Electronic Structure Methods. Carbon2021, 171, 618–633.
Dai, Y.; Poidevin, C.; Ochoa-Hernández, C.; Auer, A. A.; Tüysüz, H. A Supported Bismuth Halide Perovskite Photocatalyst for Selective Aliphatic and Aromatic C–H Bond Activation. Angewandte Chemie, International Edition2020, 59, 5788–5796.
Poidevin, C.; Paciok, P.; Heegen, M.; Auer, A. A. High Resolution Transmission Electron Microscopy and Electronic Structure Theory Investigation of Platinum Nanoparticles on Carbon Black. The Journal of Chemical Physics2019, 150, 041705.
The new type of OER electrocatalyst has been discovered by PD Dr. Harun Tüysüz (Max-Planck-Institut für Kohlenforschung), Prof. Dr. Claudia Felser (Max-Planck-Institut für Chemische Physik fester Stoffe) and co-workers.