24 citations · 58 across the 4 of their papers we have counts for
4 papers
A first-principles model of copper-boron interactions in Si: implications for the light-induced degradation of solar Si
E. Wright, J. Coutinho, S. Öberg +1
The recent discovery that Cu contamination of Si combined with light exposure has a significant detrimental impact on carrier life-time has drawn much concern within the solar-Si c…
Electronic structure modification of Si-nanocrystals with F4 -TCNQ
A. Carvalho, J. Coutinho, M. Barroso +4
We use first-principles models to demonstrate how an organic oxidizing agent, F4 -TCNQ (7,7,8,8- tetracyano-2,3,5,6-tetrafluoroquinodimethane), modifies the electronic structure of…
Doping of Si nanoparticles: the effect of oxidation
A. Carvalho, S. Oberg, M. Barroso +2
The preferred location of boron and phosphorus in oxidized free-standing Si nanoparticles was investigated using a first-principles density functional approach. The calculated form…
Electronic properties, doping and defects in chlorinated silicon nanocrystals
A. Carvalho, S. Öberg, M. J. Rayson +1
Silicon nanocrystals with diameters between 1 and 3 nm and surfaces passivated by chlorine or a mixture of chlorine and hydrogen were modeled using density functional theory, and t…