@article{27619,
  keywords = {Transformation, Scattering, Emission spectroscopy, Polymer electrolytes, Polyethylene oxide, Ray photoelectron-spectroscopy, Vibrational spectroscopy, Molecular dynamics, Nanocomposites, Polyethers},
  author = {B Brena and Guorong V Zhuang and A Augustsson and Gao Liu and J Nordgren and Jinghua Guo and Philip N Ross and Y Luo},
  title = {Conformation dependence of electronic structures of poly(ethylene oxide)},
  abstract = {<p>The electronic structure of pure poly(ethylene oxide) (PEO) for four different polymeric chain conformations has been studied by Hartree-Fock (HF) and density functional theory (DFT) through the analysis of their valence band photoelectron spectroscopy (VB-PES), X-ray emission spectroscopy (XES), and resonant inelastic X-ray scattering (RIXS). It is shown that the valence band of PEO presents specific conformation dependence, which can be used as a fingerprint of the polymeric structures. The calculated spectra have been compared with experimental results for PEO powder.</p>},
  year = {2005},
  journal = {Journal of Physical Chemistry B},
  volume = {109},
  number = {16},
  pages = {7907-7914},
  month = {04/2005},
  doi = {10.1021/jp045685u},
  language = {eng},
}