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Insight into the inclusion of heteroatom impurities in Silicon structures
Rita Maji, Eleonora Luppi, Elena Degoli +1
The bonding properties of tilt boundary in poly-silicon and the effect of interstitial impurities are investigated by first-principles. In order to obtain thorough information on t…
Effect of Strain on Interactions of Σ3{111} Silicon Grain Boundary with Oxygen Impurities from First Principles
Rita Maji, Julia Contreras-García, Eleonora Luppi +1
The interaction of grain boundaries (GBs) with inherent defects and/or impurity elements in multi-crystalline silicon play a decisive role in their electrical behavior. Strain, dep…
The role of Si vacancies in the segregation of O, C, and N at silicon grain boundaries: An ab initio study
Rita Maji, Julia Contreras-García, Nathalie Capron +2
Grain boundaries (GBs) are defects originating in multi-crystalline silicon during crystal growth for device Si solar cell fabrication. The presence of GBs changes the coordination…