Theoretical Study of the Electronic Structure of PbS Nanoclusters

The semiempirical tight-binding method was used to study the electronic structure of spherical PbS nanocrystals

R. S. Kane; R. E. Cohen; R. Silbey

2002

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  • The semiempirical tight-binding method was used to study the electronic structure of spherical PbS nanocrystals
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  • The size dependence of the band gaps was studied for clusters containing as many as 912 atoms
  • Analysis of the eigenfunctions revealed that the HOMO and LUMO states were spread throughout the cluster
  • Densities of states for the PbS nanoclusters converged to the bulk density of states, and the joint densities of states were computed as an approximation to the absorption spectra of the nanoclusters
  • Hydrothermal synthesis and characterization of lead sulfide nanocubes through simple hydrothermal method in the presence of as a new precursor

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