Electronic structure of pendant-group polymers: Molecular-ion states and dielectric properties of poly(2-vinyl pyridine)

Duke, C. B.; Salaneck, W. R.; Fabish, T. J.; Ritsko, John J.; Thomas, H. R.; Paton, A.

doi:10.1103/physrevb.18.5717

Cited by 157 publications

(28 citation statements)

References 82 publications

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“…In accordance with [6] one mechanism for the switching of the polymer from the dielectric state to the high conductive state can be the following. Polarization of the polymer matrix by randomly distributed localized charges causes both a shift and a broadening of the orbital energies, so that some HOMO-levels may lie above the Fermi level of the contact metal and some LUMO -levels below it.…”

Section: Introductionmentioning

confidence: 86%

“…Polarization of the polymer matrix by randomly distributed localized charges causes both a shift and a broadening of the orbital energies, so that some HOMO-levels may lie above the Fermi level of the contact metal and some LUMO -levels below it. This means that the contact between a metal and a polymer causes electrons from the metal to transfer to the LUMO, or electrons may transfer from the HOMO into the metal for separated polymer macromolecules which are closely located near the surface of metallic electrodes [6]. As a result, energy states with energies close to the Fermi energy of most metals form between HOMO and LUMO orbital of macromolecules.…”

Section: Introductionmentioning

confidence: 99%

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Resonant Tunneling in a Polymer with Charge Injection Doping

Ionov

Rentzsch

2012

J. Phys.: Conf. Ser.

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Abstract. It is shown that a supercurrent in disordered polymers placed between superconductor electrodes may be explained by resonant tunneling of Coopers pairs along polymer channels formed due to electrification effect. Polymer film thickness where supercurrent one may to observe depends on superconducting coherence length in superconductor. The more coherence length in superconductor electrode the more is a polymer film thickness where superconductor exists. Shapiro steps induced by microwave (f = 9.3 GHz) radiation correspond to a single Josephson junction.

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Section: Introductionmentioning

confidence: 86%

Section: Introductionmentioning

confidence: 99%

Resonant Tunneling in a Polymer with Charge Injection Doping

Ionov

Rentzsch

2012

J. Phys.: Conf. Ser.

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“…Not surprisingly, PPX has not been rendered conducting by charge-transfer doping, although this can be accomplished via chemical vapor codeposition procedures [21]. The electrical properties of PPX resemble those of polystyrene and other insulators, where states localized on the aromatic rings dominate the electronic properties [16,22]. A discussion of the role of molecular chain length on the DOVS of oligomers of p-xylylene has been given by Duke et al [21].…”

Section: Effects Of Linkage Groupsmentioning

confidence: 99%

The electronic structure of polymers: Relation to molecular architecture

Ford

2009

Int. J. Quantum Chem.

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A spectroscopic CNDO molecular-orbital model of the electronic structure of polymer macromolecules is developed and applied to interpret UV photoemission and absorption spectra of polyacetylene, poly(p-phenylene), polypyrrole, poly(p-phenylene vinylene). and ply@-xylylene). The degree of localization of injected charges and excitons in these materials may be inferred from such measurements. The influence of disorder on the interpretation of these measurements is indicated.

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“…In a few cases, one has also studied the response of the spectral function as a whole upon condensation [117,121]. There are several candidate processes to describe such shifts.…”

Section: Supermolecular Dielectric Polarization and Reaction Fieldmentioning

confidence: 99%

“…The theoretical investigations for solvent shifts can be divided into five categories, two of which are macroscopic: the thermochemical (Born-Haber) analysis and the dielectric model [117]. The three microscopic models refer to the supermolecular approach [119,122], statistical models [118,121], and polarization models El231 with the extension to the cavity reaction field model [120].…”

Section: Supermolecular Dielectric Polarization and Reaction Fieldmentioning

confidence: 99%

Interaction between theory and experiment in molecular core electron spectroscopies

Ågren

1991

Int J of Quantum Chemistry

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The interaction between theory and experiment in the field of molecular core electron spectroscopies is reviewed. Those aspects that distinguish the theoretical descriptions of core and valence electron spectra are analyzed in particular. Differences in the theoretical approaches to atomic and molecular spectra in terms of scattering and many-body theories are commented on.The molecular core electron spectroscopies are analyzed from a common point of view with respect to molecular orbital theory, many-body theory, and the role of localization and local selection rules. A brief analysis is presented for the particularities that enter the calculations of core hole spectra. Solutions are described to computational problems posed by the quasi-bound, highly excited nature of core hole states and by the large electronic relaxation following their creation. Two areas where the interaction between theory and experiment is particularly fruitful are briefly reviewed, namely, the theory of vibronic excitations in core electron spectra and the theory of the core photoelectron chemical shift.

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Electronic structure of pendant-group polymers: Molecular-ion states and dielectric properties of poly(2-vinyl pyridine)

Cited by 157 publications

References 82 publications

Resonant Tunneling in a Polymer with Charge Injection Doping

Resonant Tunneling in a Polymer with Charge Injection Doping

The electronic structure of polymers: Relation to molecular architecture

Interaction between theory and experiment in molecular core electron spectroscopies

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