Effects of dopant positions in a CdSe QD

Quantum Dots (QDs) are isolated clusters of atoms with diameters ranging from the order of \textasciitilde 1nm-10nm and can be thought of as ``artificial atoms.''~ In addition to properties of QDs being size-dependent, doping provides another means of controlling the properties of the material, in particular the donor state, just as with bulk semiconductors.~ Using a CdSe QD model with In doping, we examine through ab initio methods the properties with the In dopant at different locations.~ Also, we investigate the effects of a dangling bond on the donor state in the CdSe QD.