Weak d ferromagnetism: Zn vacancy condensation in ZnS nanocrystals.

We provide the explanation of the large discrepancy of three orders of magnitude between the experimentally measured and theoretically calculated magnetic moments in ZnS nanocrystals. We assume that the condensation of Zn vacancies into a single droplet takes place. The energy calculations reveal that the droplet phase is more favorable than the uniformly distributed vacancy configuration.

Large enhancement in photocurrent by Mn doping in CdSe/ZTO quantum dot sensitized solar cells.

We find a large enhancement in the efficiency of CdSe quantum dot sensitized solar cells by doping with manganese. In the presence of Mn impurities in relatively small concentrations (2.3%) the photoelectric current increases by up to 190%.

Optical spectra of CdMnSe of nano-ferro- and antiferro-magnets.

We study optical transitions in CdSe quantum dots doped by Mn atoms. At low concentrations the transitions are spin-forbidden. Nevertheless, strong light absorption was experimentally found.

Spectroscopic and electronic structure properties of CdSe nanocrystals: spheres and cubes.

In this work we study the electronic structure of CdmSem quantum dots of various sizes and different shapes such as spheres and cubes using DFT, TDDFT, and CIS methods. This work requires a careful computational analysis where a proper exchange-correlation functional has to be chosen to fit the experimental optical gap. We find some differences in the optical and HOMO-LUMO gap values between spheres and cubes.