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Electronic and optical properties of vacancy and B, N, O and F doped graphene: DFT study

Goudarzi M., Parhizgar S. S., Beheshtian J.

Opto-Electronics Review

2019

Vol. 27, No. 2

130--136

Structural and optical properties of graphene with a vacancy and B, N, O and F doped graphene have been investigated computationally using density functional theory (DFT). We find that B is a p-type while N, O and F doped graphene layers, as well as graphene with a vacancy are n-type semiconductors. Optical properties for both cases of in plane (E⊥c) and out of plane (E‖c) polarization of light are investigated. It is observed that with the increase in the number of electrons entering the supercell, the amount of absorption of the system decreases and the absorption peaks are transferred to higher energies (blue shift).

DBSA doped polypyrrole blended with Poly(4-styrenesulfonic acid) by mechanical mixing

Jayamurugan P, Ponnuswamy V, Ashokan S, Jayaprakash R N, Ashok N, Guna K, Mariappan R

Materials Science Poland

2014

Vol. 32, No. 4

648--651

DBSA doped polypyrrole was prepared by In-situ chemical oxidative polymerization method. The reaction temperature was 0 to 20 ◦C. Different weight percentages of PSS (40 wt.%, 60 wt.% and 80 wt.%) were mechanically blended with a pestle in an agate mortar for 25 minutes by solid state mixing. The investigation of the blend focused on the optical, structural and morphological properties. SEM micrographs indicated that PSS was homogeneously distributed within DBSA doped PPy. FT-IR study confirmed the doped and blended dopants in the composite structure. UV-study revealed the π → π* transition in benzenoid rings of DBSA and presence of PSS. The semi-crystalline nature of the composites improved with increasing the weight percentage of PSS.