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cond-mat.mtrl-sci2004★ 1 cited
Optical properties of silicon nanoparticles in the presence of water: A first principles theoretical analysis
David Prendergast, Jeffrey C. Grossman, Andrew J. Williamson +2
We investigate the impact of water, a polar solvent, on the optical absorption of prototypical silicon clusters with oxygen passivation. We approach this complex problem by assessi…
cond-mat.mtrl-sci2004★ 1 cited
The Structure and Stokes Shift of Hydrogenated Silicon Nanoclusters
Lucas Wagner, Aaron Puzder, Andrew Williamson +5
We evaluate the optical gap and Stokes shift of several candidate 1 nm silicon nanocrystal structures using density functional and quantum Monte Carlo (QMC) methods. We find that t…