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The electronic states of “wurtzite” CdS nanoparticles and CdSe/CdS nanosystems with up to 80 pairs of Cd-Se or CdS atoms were calculated.The results for CdS particles were compared with the results obtained earlier for CdSe particles of the same size and with published calculations of other authors. The calculated gap values in the range of... More
The authors fulfilled calculations of the total energy and electronic states of CdnSen nanoparticle:“wurzite”, “sphalerite” and “rock-salt” types of the structure. It was shown that at n ≤ 72 the “rock-salt” type is the most favorable energetically. However the extrapolation of the behavior of the energy per Cd-Se atomic pair shows that for n... More