| 1. |
- Dannetun, Per, et al.
(författare)
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High-resolution electron energy loss spectroscopy of thin crystalline highly oriented films of poly(tetrafluoroethylene)
- 1996
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Ingår i: Thin Solid Films. - : Elsevier. - 0040-6090 .- 1879-2731. ; 286:1-2, s. 321-329
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Tidskriftsartikel (refereegranskat)abstract
- High-resolution electron energy loss spectroscopy (HREELS) spectra of highly oriented films of poly(tetrafluoroethylene) (PTFE) are reported. With one exception, all peaks in the spectra correspond to IR active vibrations. They are well resolved, and with a remarkably high intensity, more than two orders of magnitude greater than we have observed on any other polymer in HREELS. The angular distributions of the elastic peak, and of the vibrational peaks are very narrow, which indicates both a well ordered system and a dipolar scattering behaviour. No evidence of amorphous regions in these films is found. A Raman active mode can be observed in off-specular geometry, using an incident electron beam coplanar with the PTFE fibers direction. This corresponds to resonance excitation of a transient negative ion state, with a maximum cross-section at an incident electron kinetic energy of about 4 eV.
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| 2. |
- Fauquet, C., et al.
(författare)
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Electronic structure of trimethylamine alane in the solid state
- 1995
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Ingår i: Chemical Physics Letters. - : Elsevier. - 0009-2614 .- 1873-4448. ; 235:5-6, s. 528-534
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Tidskriftsartikel (refereegranskat)abstract
- The chemical and electronic structure of ultrathin molecular films of trimethylamine alane (TMAA), condensed in UHV at − 100°C, have been studied in the solid state, using both X-ray and ultraviolet photoelectron spectroscopy. The results are analyzed with the help of quantum chemical calculations at the ab initio Hartree-Fock 6-31G∗ level. Based upon the good agreement between theory and experimental, it is determined that clean, oxygen-free, condensed molecular solid films consist of the 2:1 adduct of TMAA, which was previously uncertain. In addition, based upon the electronic structure results, it is clear that the mechanism of the photodecomposition of TMAA can be explained in terms of the wavefunction of electrons photoexcited into the first unoccupied molecular orbital.
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| 3. |
- Lazzaroni, R., et al.
(författare)
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Chemical and electronic aspects of metal/conjugated polymer interfaces : Implications for electronic devices
- 1995
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Ingår i: Synthetic metals. - : Elsevier. - 0379-6779 .- 1879-3290. ; 71:1-3, s. 2159-2162
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Tidskriftsartikel (refereegranskat)abstract
- The chemical nature and the electronic structure of metal/conjugated polymer interfaces are investigated in the context of polymer-based light-emitting diodes. We consider the interaction of low-workfunction metals (Al, Ca) with the surface of conjugated polymers or model oligomer molecules with a combined experimental and theoretical approach. The early stages of the interface formation are followed with X-ray and ultraviolet photoelectron spectroscopies and the experimental data are compared to the results of quantum chemical calculations. The reactions of Al and Ca with the organic surface are found to be fundamentally different: while the former forms new covalent bonds onto the polymer backbone, the latter tends to dope the conjugated system. Both types of reaction are expected to modify drastically the electronic properties of the polymer semiconductor.
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| 4. |
- Lögdlund, Michael, et al.
(författare)
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Theoretical and experimental studies of the interaction between sodium and oligothiophenes
- 1996
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 53:24, s. 16327-16333
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Tidskriftsartikel (refereegranskat)abstract
- Quantum-chemical calculations and ultraviolet photoelectron spectroscopy (UPS) measurements have been performed in order to study the interaction between sodium and oligothiophenes, with a focus on the origin of experimentally observed relaxation energy effects in alkali-metal-doped conjugated molecules. Upon doping of a -sexithienylene (α-6T) with sodium atoms, (1) a broad feature appears in the valence band, in an energy region corresponding to the band gap in pristine α-6T, and (2) certain structural features in the valence band shift towards lower binding energies in the doped material. In particular, upon doping, a structural peak related to electronic levels mainly localized to the sulfur and b-carbon atoms destabilizes to an energy corresponding to that of the valence-band edge in pristine α-6T. The results of ab initio Hartree-Fock and local-spin-density calculations on α-trithienylene and bithiophene are consistent with the experimental data, and allow for an assignment of these destabilization effects in terms of initial-state relaxations. We stress that similar destabi-lization effects, reported for other alkali-metal-doped conjugated systems, had previously been proposed to be associated with final-state electronic screening, i.e., a dynamic artifact within the UPS measurements; this is in contradiction to the results of our ab initio theoretical studies. Our present results show that all structural features in the UPS data are contained in the results of sufficiently complete quantum chemical calculations.
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