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Structural and electronic properties of Mo6S8 clusters deposited on a Au(111) surface investigated with density functional theory
(Amer Physical Soc, College Pk, 2007)
The stability and the change of the structural and electronic properties of the molybdenum sulfide cluster Mo6S8 upon adsorption on the Au(111) surface are investigated by density functional band-structure calculations ...
Electronic properties and optical spectra of MoS2 and WS2 nanotubes
(Amer Physical Soc, College Pk, 2007)
Symmetry based calculations of the polarized optical absorption in single-wall MoS2 and WS2 nanotubes are presented. Optical conductivity tensor for the individual tubes, using line group symmetry and density-functional ...