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Browsing by Author "Fantauzzi, Donato"

Browsing by Author "Fantauzzi, Donato"

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    Microscopic Properties of Na and Li—A First Principle Study of Metal Battery Anode Materials 
    Gaissmaier, Daniel; Borg, Matthias; Fantauzzi, Donato; Jacob, Timo (Wiley, 2020-01-21)
    Using density functional theory, we studied the bulk and surface properties of Li and Na electrodes on an atomistic level. To get a better understanding of the initial stages of surface growth phenomena (and thus dendrite formation), various self-diffusion ...
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    Simulations of the Oxidation and Degradation of Platinum Electrocatalysts 
    Kirchhoff, Björn; Braunwarth, Laura; Jung, Christoph; Jónsson, Hannes; Fantauzzi, Donato; Jacob, Timo (Wiley, 2019-12-26)
    Improved understanding of the fundamental processes leading to degradation of platinum nanoparticle electrocatalysts is essential to the continued advancement of their catalytic activity and stability. To this end, the oxidation of platinum nanoparticles ...