Browsing by Keywords "Band gap"
Now showing items 1-7 of 7
-
Accurate method for obtaining band gaps in conducting polymers using a DFT/hybrid approach
(American Chemical Society, 1998)DFT calculations on a series of oligomers have been used to estimate band gaps, ionization potentials, electron affinities, and bandwidths for polyacetylene, polythiophene, polypyrrole, polythiazole, and a thiophene - ... -
Does the donor-acceptor concept work for designing synthetic metals? III. theoretical investigation of copolymers between quinoid acceptors and aromatic donors
(2006)Homopolymers of quinoxaline (QX), benzothiadiazole (BT), benzobisthiadiazole (BBT), thienopyrazine (TP), thienothiadiazole (TT), and thienopyrazinothiadiazole (TTP) and copolymers of these acceptors with thiophene (TH) and ... -
Effect of coumarin concentration on the physical properties of CdO nanostructures
(Elsevier, 2014-05)In this work, nanostructured CdO films with different coumarin contents in the growth solution were fabricated on glass substrates by the SILAR method. The effects of coumarin content in the bath on optical, structural and ... -
Investigation of the effect of donor-acceptor substitution on band gap, band width, and conductivity
(Elsevier, 2001)Polymers of two donor-acceptor systems, 3-cyano,3′-hydroxybithiophene 1 and 4-dicyanomethylene-4H-cyclopenta[2,1-b:3,4-b′],3,4-ethylenedioxythiophene (CDM-EDOT) 2, were analyzed with density functional theory. As predicted ... -
Plasmonic band gap cavities
(Bilkent University, 2008)Surface plasmon polaritons (SPP’s) are trapped electromagnetic waves coupled to free electrons in metals that propagate at the metal-dielectric interfaces. Due to their surface confinement and potential in sub-wavelength ... -
Selenium in diketopyrrolopyrrole-based polymers: influence on electronic properties and charge carrier mobilities
(Wiley-VCH Verlag, 2014)Diketopyrrolopyrrole (DPP)-based p-conjugated copolymers with thiophene have exceptionally high electron mobilities. This paper investigates electronic properties and charge carrier mobilities of selenophene containing ... -
Theoretical analysis of poly(difluoroacetylene) PDFA
(Elsevier, 2003)Due to the π-donating ability of fluorine, fluorosubstitution has a remarkable effect on the band structure of polyacetylene (PA). Valence and conduction band edges decrease in energy, leading to narrower valence and wider ...
