Molecular dynamics-based refinement of nanodiamond size measurements obtained with dynamic light scattering

Koniakhin, Sergei V.; Eliseev, Igor E.; Terterov, Ivan; Shvidchenko, A. V.; Eidelman, E. D.; Dubina, Michael

doi:10.1007/s10404-014-1512-x

Cited by 14 publications

(11 citation statements)

References 24 publications

(37 reference statements)

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“…There are plenty of other ways to determine the diameter of nanoparticles. For instance, the size of detonation nanodiamonds was determined by small angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) [11], dynamic light scattering (DLS) [12] and was acquired by computer simulations [13]. We compare sizes determined by other methods with those determined by Raman scattering data analyzed with present formula.…”

Section: Mainmentioning

confidence: 99%

“…[19]. Comparison of the theoretical curves, calculated with formulae (11,12) and the experimental data for the considered materials are presented in Fig. 2.…”

Section: Mainmentioning

confidence: 99%

“…Therefore, it is impossible to make a comparison with experimental data for a wide range of sizes of nanodiamonds. However, it is interesting to compare the calculations by formula (12) with the calculations based on the PCM. The calculation was performed with B = 91.25 cm −1 .…”

Section: Mainmentioning

confidence: 99%

“…In conclusion, we have proposed the new insight into vibrational properties of nanoparticles and principally new explanation of the experimentally observed redshift of the Raman peak position in nanoparticles was given. The derived formula (12) straightly relates the shift of the Raman peak position and size of the nanoparticle. In contrast with the yield of the commonly used PCM the derived expression does not contain any uncertain parameters.…”

Section: Mainmentioning

confidence: 99%

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New explanation of Raman peak redshift in nanoparticles

Meilakhs

Koniakhin

2017

Superlattices and Microstructures

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In this letter, we propose a new model that explains the Raman peak downshift observed in nanoparticles with respect to bulk materials. The proposed model takes into account discreteness of the vibrational spectra of nanoparticles. For crystals with a cubic lattice (Diamond, Silicon, Germanium) we give a relation between the displacement of Raman peak position and the size of nanoparticles. The proposed model does not include any uncertain parameters, unlike the conventionally used phonon confinement model (PCM), and can be employed for unambiguous nanoparticles size estimation. MainIn nanoparticles the crystalline Raman peak position is downshifted and asymmetrically broadened with respect to bulk materials. Previously the * kon@mail.ioffe.ru 1 arXiv:1602.00114v1 [cond-mat.mes-hall]

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Section: Mainmentioning

confidence: 99%

“…[19]. Comparison of the theoretical curves, calculated with formulae (11,12) and the experimental data for the considered materials are presented in Fig. 2.…”

Section: Mainmentioning

confidence: 99%

Section: Mainmentioning

confidence: 99%

Section: Mainmentioning

confidence: 99%

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New explanation of Raman peak redshift in nanoparticles

Meilakhs

Koniakhin

2017

Superlattices and Microstructures

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“…It is also well known that the particle size distributions in the detonation nanodiamond hydrosols and the hydrosols of the other nanodiamond types are typically strongly broadened. This picture stems from the fact that there are both individual primary crystallites of about 4-5 nm size [4][5][6][7][8][9][10][11][12][13] and their agglomerates of the size of 100 nm in the nanodiamond hydrosols 14,15 . The presence of agglomerates significantly complicates the application of nanodiamonds and their characterization, especially with optical methods.…”

Section: Introductionmentioning

confidence: 99%

Ultracentrifugation for ultrafine nanodiamond fractionation

Koniakhin

Besedina

Kirilenko

et al. 2018

Superlattices and Microstructures

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In this paper we propose a method for ultrafine fractionation of nanodiamonds using the differential centrifugation in the fields up to 215000g. The developed protocols yield 4-6 nm fraction giving main contribution to the light scattering intensity. The desired 4-6 nm fraction can be obtained from various types of initial nanodiamonds: three types of detonation nanodiamonds differing in purifying methods, laser synthesis nanodiamonds and nanodiamonds made by milling. The characterization of the obtained hydrosols was conducted with Dynamic Light Scattering, Zeta potential measurements, powder XRD and TEM. According to powder XRD and TEM data ultracentrifugation also leads to a further fractionation of the primary diamond nanocrystallites in the hydrosols from 4 to 2 nm.

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Bench tests for microscopic theory of Raman scattering in powders of disordered nonpolar crystals: Nanodiamonds and beyond

Yashenkin

Utesov

Koniakhin³

2021

J Raman Spectroscopy

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Recent Raman data on nanocrystallite arrays are revised within the microscopic theory for Raman peaks positions and broadening (linewidth). The theory combines the elasticity theory-like approach for optical phonons used in order to evaluate the Raman peaks structure and the Green's function method applied for the phonon lines broadening. These theories are supported by the atomistic calculations within the dynamical matrix method for optical phonons and by the bond polarization model used to calculate the Raman intensities. The experimental data on four various nanopowders are analyzed with the use of this theory. The large width of the Raman peak in nanoparticles as compared with the corresponding peak in bulk materials and the width inverse dependence on the particle size previously observed by other researchers are explained within the framework of the theory. It is shown that the theory is capable to extract confidently from the Raman data four important microscopic characteristics of the nanopowder including the mean particle size, the variance of the particle size distribution function, the strength of intrinsic disorder in the particle, and the effective faceting number that parameterizes the particle shape.

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Molecular dynamics-based refinement of nanodiamond size measurements obtained with dynamic light scattering

Cited by 14 publications

References 24 publications

New explanation of Raman peak redshift in nanoparticles

New explanation of Raman peak redshift in nanoparticles

Ultracentrifugation for ultrafine nanodiamond fractionation

Bench tests for microscopic theory of Raman scattering in powders of disordered nonpolar crystals: Nanodiamonds and beyond

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