Three-Dimensional Structure of Nanocomposites from Atomic Pair Distribution Function Analysis:  Study of Polyaniline and (Polyaniline)_0.5V₂O₅·1.0H₂O

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.

Formation mechanism of a nanotubular polyanilines prepared by an emulsion polymerization without organic solvent

“…4(b) and (d) were taken and compared with common non-nanotubular polyaniline in (a) which illustrated a particle-assembled morphologies of common polyaniline prepared on a non-emulsified condition [32][33][34][35][36][37][38]. The outer anilinium ions were favorable to coil up into a helical conformation to become a nanotube.…”

Density Functional Theoretical Studies on Polyaniline/HNb3O8 Layered Nanocomposites

“…The interlayered H + ions change the layer structure and modify the electron transfer between the interlayered species and the negative slabs. For example, the optimization data show that the bond lengths of Nb1-O2 and Nb3-O1 are 1 Similarly, the bond orders also reveal the interaction between the interlayered species and the negatively charged slabs. For example, the experimental bond orders of K1-O3 and K1-O6 in KNb 3 O 8 are both negative values of -0.17 and -0.06, which corresponds to the fact that K + cations do not strongly interact with the negative slabs and can be easily exchanged by other cations such as protons.…”

“…[1][2][3][4][5] Among them, nanocomposites based on polyaniline (PANI) are of particular interest. These materials are currently being investigated for applications in solar cells, biosensors, color displays, etc.…”

“…More recently, Petkov et al studied the three-dimensional structure of a PANI/V 2 O 5 nanocomposite by the technique of atomic pair distribution function. [1] Their work opens the route to better explaining, predicting, and possibly improving the properties of these materials by using both theoretical and experimental tools, and their results directly yield three-dimensional structural information for materials of limited structural coherence, including nanostructured materials and organic/inorganic hybrids.…”

One‐Dimensional V2O5@Polyaniline Core/Shell Nanobelts Synthesized by an In situ Polymerization Method

“…However, the previous studies have always focused on the PAN–vanadium oxide hybrid layered composites with PAN residing between the layers. Various methods, such as in‐situ oxidative polymerization/intercalation of aniline in V 2 O 5 ,17–20 and the layer‐by‐layer method,13, 21, 22 have been devoted to the synthesis of PAN–vanadium oxide hybrid materials. However, the PAN–vanadium oxide composites formed in this way are poorly crystalline, and the vanadium oxides are usually reduced by aniline 13, 23, 24, 25.…”