%0 Journal Article
%K Transformation
%K Scattering
%K Emission spectroscopy
%K Polymer electrolytes
%K Polyethylene oxide
%K Ray photoelectron-spectroscopy
%K Vibrational spectroscopy
%K Molecular dynamics
%K Nanocomposites
%K Polyethers
%A B Brena
%A Guorong V Zhuang
%A A Augustsson
%A Gao Liu
%A J Nordgren
%A Jinghua Guo
%A Philip N Ross
%A Y Luo
%B Journal of Physical Chemistry B
%D 2005
%G eng
%P 7907-7914
%R 10.1021/jp045685u
%T Conformation dependence of electronic structures of poly(ethylene oxide)
%V 109
%3 <p>liu group</p>
%8 04/2005
%X <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>