Three-dimensional structure of nanocomposites from atomic pair distribution function analysis: Study of polyaniline and (polyaniline)0.5V 2O5·1.0H2O

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)_0.5V ₂O₅·1.0H₂O

Valeri Petkov^*, Vencislav Parvanov, Pantelis Trikalitis, Christos Malliakas, Tom Vogt, Mercouri G. Kanatzidis

^*Corresponding author for this work

Chemistry

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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 (US)
Pages (from-to)	8805-8812
Number of pages	8
Journal	Journal of the American Chemical Society
Volume	127
Issue number	24
DOIs	https://doi.org/10.1021/ja051315n
State	Published - Jun 22 2005

ASJC Scopus subject areas

General Chemistry
Biochemistry
Catalysis
Colloid and Surface Chemistry

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title = "Three-dimensional structure of nanocomposites from atomic pair distribution function analysis: Study of polyaniline and (polyaniline)0.5V 2O5·1.0H2O",

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.",

author = "Valeri Petkov and Vencislav Parvanov and Pantelis Trikalitis and Christos Malliakas and Tom Vogt and Kanatzidis, {Mercouri G.}",

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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 et al.
In: Journal of the American Chemical Society, Vol. 127, No. 24, 22.06.2005, p. 8805-8812.

Research output: Contribution to journal › Article › peer-review

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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

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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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Three-dimensional structure of nanocomposites from atomic pair distribution function analysis: Study of polyaniline and (polyaniline)_0.5V ₂O₅·1.0H₂O

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