Nanoscale reactivity of Zn x Mg 20−x investigated by structural and electronic indicators
Source abstract
Abstract
Abstract First-principles calculations are reported for a small Zn Mg nanoalloy, to get insight into fundamental physico-chemical properties that can be at the roots of the improved efficiency of Zn Mg coatings against corrosion. We identify and rationalize composition-dependent features which modulate the noticeable charge transfer from Zn to Mg atoms. Local reactivity indicators demonstrate that Mg sites are, on average, the most reactive ones. Global reactivity indicators show that oxidation of the doped surface is a faster and more exothermic process as compared to a pure zinc surface.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: ZnO doping and properties · nanoparticles nucleation surface interactions · Electrocatalysts for Energy Conversion
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