Three-dimensional structure of nanocomposites from atomic pair distribution function analysis: study of polyaniline and (polyaniline)(0.5)V(2)O(5) x 1.0 H(2)O

Valeri Petkov; Vencislav Parvanov; Pantelis Trikalitis; Christos Malliakas; Tom Vogt; Mercouri G Kanatzidis

doi:10.1021/ja051315n

Three-dimensional structure of nanocomposites from atomic pair distribution function analysis: study of polyaniline and (polyaniline)(0.5)V(2)O(5) x 1.0 H(2)O

J Am Chem Soc. 2005 Jun 22;127(24):8805-12. doi: 10.1021/ja051315n.

Authors

Valeri Petkov¹, Vencislav Parvanov, Pantelis Trikalitis, Christos Malliakas, Tom Vogt, Mercouri G Kanatzidis

Affiliation

¹ Department of Physics, Central Michigan University, Mt. Pleasant, Michigan 48859, USA. petkov@phy.cmich.edu

PMID: 15954787
DOI: 10.1021/ja051315n

Abstract

The three-dimensional structures of emeraldine base polyaniline (PANI) and (polyaniline)(0.5)V(2)O(5) x 1.0 H(2)O have been determined by total X-ray scattering experiments. Atomic pair distribution functions (PDF) were measured to obtain experimental observables against which structural models were tested and refined. The PDF approach is necessary because of the limited structural coherence in these nanostructured materials. Polyaniline possesses a well-defined local atomic arrangement that can be described in terms of an 84-atom orthorhombic unit cell. The nanocomposite (PANI)(0.5)V(2)O(5) x 1.0 H(2)O too is locally well ordered and may be described in terms of a small number of structure-sensible parameters. The PDF approach allows the construction of structure models of PANI and (PANI)(0.5)V(2)O(5) x 1.0 H(2)O on the basis of which important materials' properties can be explained predicted and possibly improved.