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| 2. |
- Sanchez-Carrera, R.S., et al.
(författare)
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Vibronic coupling in the ground and excited states of oligoacene cations
- 2006
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Ingår i: Journal of Physical Chemistry B. - : American Chemical Society (ACS). - 1520-6106 .- 1520-5207. ; 110:38, s. 18904-18911
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Tidskriftsartikel (refereegranskat)abstract
- The vibrational coupling in the ground and excited states of positively charged naphthalene, anthracene, tetracene, and pentacene molecules is studied on the basis of a joint experimental and theoretical study of ionization spectra using high-resolution gas-phase photoelectron spectroscopy and first-principles correlated quantum-mechanical calculations. Our theoretical and experimental results reveal that, while the main contribution to relaxation energy in the ground state of oligoacene systems comes from high-energy vibrations, the excited-state relaxation energies show a significant redistribution toward lower-frequency vibrations. A direct correlation is found between the nature of the vibronic interaction and the pattern of the electronic state structure. © 2006 American Chemical Society.
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| 3. |
- Minkov, Ivaylo, et al.
(författare)
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Core-excitations of naphthalene : Vibrational structure versus chemical shifts
- 2004
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 121:12, s. 5733-5739
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Tidskriftsartikel (refereegranskat)abstract
- The initial state chemical shifts and vibrational fine structure of core excitations of naphthalene were analyzed using high-resolution x-ray photoelectron emission (XPS) and near-edge x-ray absorption fine structure (NEXAFS) spectra. The carbon atoms at peripheral sites were found to experience a small chemical shift and exhibit similar charge-vibrational coupling. The C-H stretching modes provide significant contributions to overall shape of spectra in the XPS spectra. The results show that vibrational fine structure dominates by particular C-C stretching modes, and in XPS of C2 and C3 sites also by high-energy C-H stretching modes.
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| 4. |
- Osikowicz, Wojciech, et al.
(författare)
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Electronic structure of a novel alkylidene fluorene polymer in the pristine state
- 2004
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 385:3-4, s. 184-188
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Tidskriftsartikel (refereegranskat)abstract
- The electronic structure of a novel conjugated polymer, polyalkylidene fluorene has been studied using a combined experimental-theoretical approach. The densities of states in the valence band region of the new derivative, poly(9-(1'-decylundecylidene)fluorene), were measured by ultraviolet photoelectron spectroscopy and compared with electronic band-structure calculations performed in the valence effective Hamiltonian framework. The results are compared with those of similar studies on the reference polymer poly(9,9-dioctylfluorene). We report the experimentally determined ionization potential for this new material and discuss the role of substitution in altering the electronic properties of the polymer backbone. © 2003 Elsevier B.V. All rights reserved.
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| 5. |
- Murdey, Richard J., et al.
(författare)
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Charge injection barrier heights across multilayer organic thin films
- 2005
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Ingår i: Japanese Journal of Applied Physics. - 0021-4922 .- 1347-4065. ; 44:6 A, s. 3751-3756
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Tidskriftsartikel (refereegranskat)abstract
- Organic multilayer structures having a tetrathiafulvalene (TTF) or tetracyanoquinodimethane (TCNQ) interlayer were grown by physical vapor deposition on gold, indium tin oxide (ITO) or poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) PEDOT-PSS, substrates chosen to be representative of the anode materials typically used in the manufacture of organic electronic devices. The top layer was either p-quarterphenyl (Qp) or the hole transport material N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine (TPD). The valence electronic structure and vacuum level of the compound interface were monitored as a function of film thickness by ultraviolet photoelectron spectroscopy (UPS). Here we report the dependence of the energy level alignment on the substrate work function and discuss how an organic interlayer having a strong electron accepting or donating characteristic might be used to control the charge injection from a conducting electrode to a semiconducting organic hole transport material. © 2005 The Japan Society of Applied Physics.
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