Localized-density-matrix, segment-molecular-orbitals and poly„p-phenylenevinylene... aggregates
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چکیده
منابع مشابه
Localized-density-matrix method and its application to nanomaterials
The localized-density-matrix (LDM) method has been developed to calculate the excited state properties of very large systems containing thousands of atoms. It is particularly suitable for simulating the dynamic electronic processes in nanoscale materials, and has been applied to poly(p-phenylenevynelene) (PPV) aggregates and carbon nanotubes. Absorption spectra of PPVs and carbon nanotubes have...
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The positions of the molecular orbitals of the conjugated semiconducting polymer, poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV), relative to the Fermi level, shift when lead selenide (PbSe) quantum dots or the fullerene based molecule [(6)]-1-(3-(methoxycarbonyl)propyl)-[(5)]-1-phenyl-[5,6]-C61, known as PCBM, are dispersed in the polymer host. This is evident from the co...
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تاریخ انتشار 1999