https://www.selleckchem.com/pr....oducts/gsk2879552-2h
Tools for rationalizing electrochemical reactivity consisting of potential dependant projected density of states, Fukui function and metallicity index are defined. The methodology and tools are applied to examples relevant to the energy domain in order the compare reactivity in the outer Helmholtz plane and at the surface. Then, the combination of HBM and reactivity create a toolbox usable to predict and investigate the different redox, degradation and ageing processes occurring at an electrochemical interface such as the one fo
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