Structural and electronic properties of lead sulfide quantum dots from screened hybrid density functional calculations including spin–orbit coupling effects
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DOI: 10.1007/s00214-017-2085-z
Abstract: We present in this work density functional theory calculations of the structural and electronic properties of (PbS)n nanoparticles with n = 4–32. Particular care has been taken on the correct description of their electronic structure by using… read more here.
Keywords: density functional; structural electronic; orbit coupling; electronic properties ... See more keywords