Ultraviolet spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) were used to study the valence electronic structures of pristine and sodium doped poly (p-pyridine) (PPY). The UPS spectra were analyzed by studying the density-of-valence-states (DOVS) derived from quantum chemical calculations. The electronic band structure of the PPY chains was also theoretically investigated using the valence effective Hamiltonian (VEH) method. The theoretical approach was found to be more accurate in describing the electronic structure of PPY.
|Original language||English (US)|
|Number of pages||10|
|Journal||Journal of Chemical Physics|
|State||Published - Mar 1 2001|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry