Rabe, M.; Kasian, O.; Mayrhofer, K. J. J.; Erbe, A.: Schlussbericht zum Vorhaben: Mechanistische Untersuchungen der elektrochemischen Sauerstoffentwicklung auf Modellelektroden - Stabilität der Elektroden, Natur der Oxide und Intermediate - Teilvorhaben des Clusterprojekts "Mangan". Technische Informationsbibliothek (TIB) Hannover, Hannover, Germany (2019), 32 pp.
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…