Theoretical study of oxygen contaminated silicon quantum dots: A case study for Si29H29?xO29?y
We investigate theoretically, possible modes of oxygen contamination in hydrogen terminated silicon quantum dots. Bridge bonded oxygenated nanocrystals have better binding energies than double bonds. Bridge bonded oxygenated nanocrystals have larger electronic gaps than double bonds.
oxygen contamination quantum dots nanocrystals density functional theory