Abstract
The three-dimensional structures of emeraldine base polyaniline (PANI) and (polyaniline)0.5V2O5·1.0H2O 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)0.5V2O5·1.0H 2O 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)0.5V 2O5·1.0H2O on the basis of which important materials' properties can be explained predicted and possibly improved.
| Original language | English |
|---|---|
| Pages (from-to) | 8805-8812 |
| Number of pages | 8 |
| Journal | Journal of the American Chemical Society |
| Volume | 127 |
| Issue number | 24 |
| DOIs | |
| Publication status | Published - Jun 22 2005 |
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ASJC Scopus subject areas
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Three-dimensional structure of nanocomposites from atomic pair distribution function analysis : Study of polyaniline and (polyaniline)0.5V 2O5·1.0H2O. / Petkov, Valeri; Parvanov, Vencislav; Trikalitis, Pantelis; Malliakas, Christos; Vogt, Tom; Kanatzidis, Mercouri G.
In: Journal of the American Chemical Society, Vol. 127, No. 24, 22.06.2005, p. 8805-8812.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Three-dimensional structure of nanocomposites from atomic pair distribution function analysis
T2 - Study of polyaniline and (polyaniline)0.5V 2O5·1.0H2O
AU - Petkov, Valeri
AU - Parvanov, Vencislav
AU - Trikalitis, Pantelis
AU - Malliakas, Christos
AU - Vogt, Tom
AU - Kanatzidis, Mercouri G
PY - 2005/6/22
Y1 - 2005/6/22
N2 - The three-dimensional structures of emeraldine base polyaniline (PANI) and (polyaniline)0.5V2O5·1.0H2O 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)0.5V2O5·1.0H 2O 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)0.5V 2O5·1.0H2O on the basis of which important materials' properties can be explained predicted and possibly improved.
AB - The three-dimensional structures of emeraldine base polyaniline (PANI) and (polyaniline)0.5V2O5·1.0H2O 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)0.5V2O5·1.0H 2O 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)0.5V 2O5·1.0H2O on the basis of which important materials' properties can be explained predicted and possibly improved.
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UR - http://www.scopus.com/inward/citedby.url?scp=20944451043&partnerID=8YFLogxK
U2 - 10.1021/ja051315n
DO - 10.1021/ja051315n
M3 - Article
VL - 127
SP - 8805
EP - 8812
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
SN - 0002-7863
IS - 24
ER -