Stacking of oligo- and polythiophene cations in solution: Surface tension and dielectric saturation
The stacking of positively charged (or doped) terthiophene oligomers and quaterthiophene polymers in solution is investigated applying a recently developed unified electrostatic and cavitation model for first-principles calculations in a continuum solvent. The thermodynamic and structural patterns o...
Guardado en:
| Autores principales: | Scherlis, D.A., Fattebert, J.-L., Marzari, N. |
|---|---|
| Formato: | Artículo publishedVersion |
| Lenguaje: | Inglés |
| Publicado: |
2006
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| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v124_n19_p_Scherlis |
| Aporte de: |
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