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Source abstract
Abstract
Cover Photograph : Representative arrangements of 2‐ (L) and 3‐rings (R), in the near‐surface (top 12 Å) region for a 60SiO2.20Al2O3.20CaO (60:20:20) glass, from molecular dynamics simulations. There is little obvious sign of clustering of the rings, that is the distribution is largely homogeneous. Most 2‐rings are Al‐Al; no Si‐Si edge‐shared tetrahedra are seen, though there are a few Si‐Al 2‐rings. The simulations reveal higher concentrations of both 2‐ and 3‐rings in the surface, compared to the bulk, structure, for all compositions studied. In 60:20:20 composition, however, a maximum in 2‐ring and a minimum in 3‐ring surface relative enrichment were found. These extrema coincide with an observed maximum in electronegative contact charging behavior at this composition, as a function of silica content [ https://doi.org/10.1111/ijag.15794 ]. image
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Glass properties and applications · Silicon Nanostructures and Photoluminescence · Semiconductor materials and interfaces
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