TY - JOUR
KW - Transformation
KW - Scattering
KW - Emission spectroscopy
KW - Polymer electrolytes
KW - Polyethylene oxide
KW - Ray photoelectron-spectroscopy
KW - Vibrational spectroscopy
KW - Molecular dynamics
KW - Nanocomposites
KW - Polyethers
AU - B Brena
AU - Guorong V Zhuang
AU - A Augustsson
AU - Gao Liu
AU - J Nordgren
AU - Jinghua Guo
AU - Philip N Ross
AU - Y Luo
AB - <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>
BT - Journal of Physical Chemistry B
C3 - <p>liu group</p>
DA - 04/2005
DO - 10.1021/jp045685u
LA - eng
M1 - 16
N2 - <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>
PY - 2005
SP - 7907
EP - 7914
T2 - Journal of Physical Chemistry B
TI - Conformation dependence of electronic structures of poly(ethylene oxide)
VL - 109
ER -