Analysis of short and long range atomic order in nanocrystalline diamonds with application of powder diffractometry

Pałosz, B.; Grzanka, Ewa; Stelmakh, S.; Pielaszek, Roman; Bismayer, U.; Neuefiend, J.; Weber, Hans Peter; Proffen, Thomas; Vondreele, R.; Pałosz, W.; Curreri, Peter A.

doi:10.1524/zkri.217.10.497.20795

Cited by 79 publications

(43 citation statements)

References 35 publications

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“…[6,7,33,34] On the other hand, as small nanoparticles show a nonuniform structure, additional extensions to the modelling of nanoparticle structure may be needed to accommodate core/shell structure model. [35,36] This was noted recently on in a study by Palosz et al [36] where they reported the limitations and the perspectives of diffraction studies of the atomic structure of nanoparticles.…”

Section: Introductionmentioning

confidence: 87%

Total scattering atomic pair distribution function: new methodology for nanostructure determination

Masadeh

2016

Journal of Experimental Nanoscience

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The conventional X-ray diffraction (XRD) methods probe for the presence of long-range order towards a solution of the average crystal structure. Experimentally, structural information about longrange, periodic atomic ordering is reflected in the Bragg scattering while local atomic structural deviations from the average structure mainly affect the diffuse scattering intensities. In order to obtain structural information about both average and local atomic structures, a technique that takes in account both Bragg and diffuse scattering needs to be employed, such as the total scattering atomic pair distribution function (PDF) technique. This article introduces a PDF-based methodology that can be applied to extract precise structural information about nanoparticles such as the size of the crystalline core region, the degree of crystallinity, the atomic structure of the core region, local bonding, and the degree of the internal disorder, as a function of the nanoparticle diameter. This article sheds light on a new PDF-based methodology that can yield precise quantitative structural information about small nanocrystals from XRD data, and also describes the essential aspects of this proposed methodology as well as its great potential. This method is generally applicable to the characterisation of the nanoscale solid, many of which may exhibit complex disordered structure.

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Section: Introductionmentioning

confidence: 87%

Total scattering atomic pair distribution function: new methodology for nanostructure determination

Masadeh

2016

Journal of Experimental Nanoscience

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“…Both plots can be used for examination of the core-shell structure of a nanocrystal. While alp-Q dependencies were already used for evaluation of core-shell models of nanocrystals [9][10][11][12][13], we are not aware of any earlier attempt to use PDF analysis for examination of the core-shell structure of nanocrystals; although plots of relative changes Dr i =r i have been measured experimentally for diamond and SiC [18], they were not used for evaluation of core-shell models.…”

Section: Distribution Of Individual Inter-atomic Distances At Pdf Plotmentioning

confidence: 99%

“…The solution might be in the analysis of the experimental alp-Q relation through seeking a model which gives theoretical alp-Q dependence similar to the experimental one. We used this approach for evaluation of the core-shell structure of nanocrystalline diamond and SiC [10][11][12][13]; the methodology of doing such an alp-Q analysis has been published previously [9] and is not discussed here.…”

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confidence: 99%

Nanocrystals: Breaking limitations of data analysis

Pałosz¹,

Grzanka

Gierlotka

et al. 2010

Zeitschrift für Kristallographie

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Abstract. A series of "virtual powder diffraction experiments" was made on models of small single crystals and nanocrystals with the core-shell structure. The results of those experiments were elaborated with application of standard methods of data analysis routinely used for reciprocal and real space analyses of polycrystalline materials. It is shown that the assumption of a uniform crystal structure of nano-materials is not justified and, therefore, application of routine procedures of collection and elaboration of diffraction data may lead to misinterpretation of the experiments and to incorrect conclusions about their structure. Tentative ways of using powder diffraction data to learn about the structure of nanocrystals with different atomic architecture of the core and of the surface of the grains are discussed. A need for elaboration of a model of the atomic structure of an individual nanograin with a non-uniform structure is discussed. An alternative approach to diffraction studies of nanocrystals by presenting the "footprints" of materials under study in the form of plots showing distribution of the experimental apparent lattice parameters as a function of diffraction vector Q, or bond length distribution as a function of r-distances derived from PDF function is suggested.

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“…However, it was observed for 5 nm grain size diamond powders that the broadening of peak profiles is resulted rather by the small crystallite size and the stacking faults and not by dislocations, see Fig. 17 [112]. Assuming a shell-core model of the diamond nanoparticles, the defect structure of the internal region and the shell strains were obtained from the line broadening and the diffraction vector dependence of the apparent lattice parameter, respectively [112][113][114].…”

Section: Carbon and Diamondmentioning

confidence: 99%

Nanocrystalline materials studied by powder diffraction line profile analysis

Ungár¹,

Gubicza²

2007

Zeitschrift Für Kristallographie - Crystalline Materials

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Abstract. X-ray powder diffraction is a powerful tool for characterising the microstructure of crystalline materials in terms of size and strain. It is widely applied for nanocrystalline materials, especially since other methods, in particular electron microscopy is, on the one hand tedious and time consuming, on the other hand, due to the often metastable states of nanomaterials it might change their microstructures. It is attempted to overview the applications of microstructure characterization by powder diffraction on nanocrystalline metals, alloys, ceramics and carbon base materials. Whenever opportunity is given, the data provided by the X-ray method are compared and discussed together with results of electron microscopy. Since the topic is vast we do not try to cover the entire field.

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Analysis of short and long range atomic order in nanocrystalline diamonds with application of powder diffractometry

Cited by 79 publications

References 35 publications

Total scattering atomic pair distribution function: new methodology for nanostructure determination

Total scattering atomic pair distribution function: new methodology for nanostructure determination

Nanocrystals: Breaking limitations of data analysis

Nanocrystalline materials studied by powder diffraction line profile analysis

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