125 citations · 133 across the 4 of their papers we have counts for
3 papers · 1 filter
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…
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…
Overcoming Distrust in Solid State Simulations: Adding Error Bars to Computational Data
Francesca Peccati, Rubén Laplaza, Julia Contreras-García
Simulation techniques are providing with each passing day a deeper insight into the structure and properties of materials. Two main obstacles appear for the cooperation of simulati…