Isik-Uppenkamp, S.; Laaboudi, A.; Rohwerder, M.: Delamination of Polymer/Metal Interfaces: On the Correlation of Kinetics and Interfacial Structure. 212th ECS Meeting, Washington, D.C., USA (2007)
Laaboudi, A.; Isik-Uppenkamp, S.; Rohwerder, M.: Modelling cathodic delamination: Oxygen reduction and interface degradation at a molecularly well defined coating/metal interface. ECASIA 2007, 12th European Conference on Applications of Surface and Interface Analysis, Brussels-Flagey, Belgium (2007)
Laaboudi, A.; Rohwerder, M.: Oxygen Reduction on Thiol SAM Modified Au(111). 209th Meeting of The Electrochemical Society, Denver, Colorado, USA (2006)
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.
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…