Conformation dependence of electronic structures of poly(ethylene oxide)
2005 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 109, no 16, 7907-7914 p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
2005. Vol. 109, no 16, 7907-7914 p.
ray photoelectron-spectroscopy, polymer electrolytes, polyethylene oxide, vibrational spectroscopy, emission-spectroscopy, molecular-dynamics, nanocomposites, transformation, polyethers, scattering
IdentifiersURN: urn:nbn:se:kth:diva-14692DOI: 10.1021/jp045685uISI: 000228603700046ScopusID: 2-s2.0-18544371046OAI: oai:DiVA.org:kth-14692DiVA: diva2:332733
QC 201005252010-08-052010-08-052010-09-29Bibliographically approved