Understanding atomic interaction between cuprous oxide film and aggressive chloride solution
Source abstract
Abstract
Considering the structural complexity of actual copper (Cu) passive films consisting of Cu 2O, the multiple roles of aggressive chloride anion (Cl –) on Cu 2O are revealed through first-principles calculations. Despite different Cl – adsorption susceptibilities of various Cu 2O surfaces, similar surface O vacancy formation mechanisms promoted by Cl – adsorption are elucidated, accompanying with further Cu vacancy propagation. Increasing surface Cu vacancy concentration and unchanged Cu vacancy diffusion coefficient induced by Cl – adsorption lead to increasing diffusion flux. These results reveal the atomic interaction between Cu 2O film and Cl ion, which is helpful to understand the depassivation mechanism of Cu.
Source: expertdata · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Copper-based nanomaterials and applications · ZnO doping and properties · Semiconductor materials and devices
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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