There's no place like real-space: elucidating size-dependent atomic structure of nanomaterials using pair distribution function analysis

Abstract

We review the use of pair distribution function analysis for characterization of atomic structure in nanomaterials.

Formation and growth mechanism for niobium oxide nanoparticles: atomistic insight from in situ X-ray total scattering

“…[29][30][31][32][33][34][35] The use of Pair Distribution Function (PDF) analysis of total scattering data means that structural information can be obtained for matter with and without long-range order, making it possible to follow the structural rearrangements that take place in a synthesis all the way from ionic or molecular clusters in solution to the final material. 36,37 Here, we study the solvothermal synthesis of Nb2O5 nanoparticles from NbCl5 in benzyl alcohol, first described by Buha et al 38 This non-aqueous sol-gel route, applying a metal chloride precursor in benzyl alcohol, can be used for synthesis of a range of different oxide materials, also for compounds that are otherwise difficult to prepare, such as niobium oxides. 39,40 The solvothermal synthesis approach is furthermore simple and industrially relevant, as it can easily be scaled up.…”

Guidelines for the characterization of metal halide nanocrystals

“…used to study ligand-ligand interactions on NC surfaces [98]. We envisage that atomic pair distribution function (PDF) X-ray analysis will be more commonly used to solve the structure of new nanostructures or to validate structures emerging via 3D-ED/XRD analyses [99]. PDF analysis can be even exploited to elucidate the internal NC structure, including the presence of stacking faults, and the internal strain of colloidal NCs [99].…”

“…We envisage that atomic pair distribution function (PDF) X-ray analysis will be more commonly used to solve the structure of new nanostructures or to validate structures emerging via 3D-ED/XRD analyses [99]. PDF analysis can be even exploited to elucidate the internal NC structure, including the presence of stacking faults, and the internal strain of colloidal NCs [99]. Moreover, future applications of PDF analysis might include in situ measurements to study: (i) the nucleation and growth of NCs; and (ii) the interaction of NCs with non-ambient conditions of temperature, pressure, gas environment, and electric or magnetic field.…”

Impact of Solution Chemistry on Growth and Structural Features of Mo-Substituted Spinel Iron Oxides

“…29 PDF analysis describes structural correlations across a range of length scales, from short-to long-range, making it particularly useful for probing disordered or amorphous or nanoscale materials. 30 We first consider the short-range features at distances between 1.5 Å and 4.0 Å (Figure 1b). This range includes the M-O distances (M = Mo, Fe) for octahedral and tetrahedral sites at ~2 Å.…”