Application of X-ray powder diffraction to nano-materials - Determination of the atomic structure of nanocrystals with relaxed and strained surfaces

B. Palosz; E. Grzanka; S. Gierlotka; S. Stel'makh; R. Pielaszek; W. Lojkowski; U. Bismayer; J. Neuefeind; H. P. Weber; W. Palosz

doi:10.1080/0141159031000076129

Application of X-ray powder diffraction to nano-materials - Determination of the atomic structure of nanocrystals with relaxed and strained surfaces

B. Palosz, E. Grzanka, S. Gierlotka, S. Stel'makh, R. Pielaszek, W. Lojkowski, U. Bismayer, J. Neuefeind, H. P. Weber, W. Palosz

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

33 Scopus citations

Abstract

The applicability of standard methods for the evaluation of powder diffraction data of nano-size crystallites is analyzed. Based on theoretical considerations, it is shown that deviations of the structure of small particles from the Bragg approximation on an infinite crystal lattice leads to significant differences in the diffraction patterns, which may lead to an erroneous interpretation of the experimental results. An alternative evaluation of the diffraction data of nano-particles, based on the so-called "apparent lattice parameter", alp, is proposed. Based on this method, it is shown that real nano-crystals constitute a complex, heterogeneous multi-phase structure.

Original language	English
Pages (from-to)	171-185
Number of pages	15
Journal	Phase Transitions
Volume	76
Issue number	1-2
DOIs	https://doi.org/10.1080/0141159031000076129
State	Published - Jan 1 2003
Externally published	Yes

Funding

This work was supported by the Polish Committee for Scientific Research – grant KBN PBZ/KBN-013/T08/30, the Polish–German Project POL-00/009 and in part by the EC Grant ‘‘Support for Centers of Excellence’’ No. ICA1-CT-2000-70005, DESY– HASYLAB Project II-99-053, ESRF Project HS-1463. Experimental assistance from the staff of the Swiss–Norwegian Beam Lines at ESRF is gratefully acknowledged.

Funders	Funder number
European Synchrotron Radiation Facility	HS-1463
Deutsches Elektronen-Synchrotron	II-99-053
Polish Committee for Scientific Research	KBN PBZ/KBN-013/T08/30, POL-00/009
European Commission	ICA1-CT-2000-70005

Keywords

Diffraction
Nano-crystals
SiC
Surface structure

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10.1080/0141159031000076129

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Palosz, B., Grzanka, E., Gierlotka, S., Stel'makh, S., Pielaszek, R., Lojkowski, W., Bismayer, U., Neuefeind, J., Weber, H. P., & Palosz, W. (2003). Application of X-ray powder diffraction to nano-materials - Determination of the atomic structure of nanocrystals with relaxed and strained surfaces. Phase Transitions, 76(1-2), 171-185. https://doi.org/10.1080/0141159031000076129

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abstract = "The applicability of standard methods for the evaluation of powder diffraction data of nano-size crystallites is analyzed. Based on theoretical considerations, it is shown that deviations of the structure of small particles from the Bragg approximation on an infinite crystal lattice leads to significant differences in the diffraction patterns, which may lead to an erroneous interpretation of the experimental results. An alternative evaluation of the diffraction data of nano-particles, based on the so-called {"}apparent lattice parameter{"}, alp, is proposed. Based on this method, it is shown that real nano-crystals constitute a complex, heterogeneous multi-phase structure.",

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Palosz, B, Grzanka, E, Gierlotka, S, Stel'makh, S, Pielaszek, R, Lojkowski, W, Bismayer, U, Neuefeind, J, Weber, HP & Palosz, W 2003, 'Application of X-ray powder diffraction to nano-materials - Determination of the atomic structure of nanocrystals with relaxed and strained surfaces', Phase Transitions, vol. 76, no. 1-2, pp. 171-185. https://doi.org/10.1080/0141159031000076129

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T1 - Application of X-ray powder diffraction to nano-materials - Determination of the atomic structure of nanocrystals with relaxed and strained surfaces

AU - Palosz, B.

AU - Grzanka, E.

AU - Gierlotka, S.

AU - Stel'makh, S.

AU - Pielaszek, R.

AU - Lojkowski, W.

AU - Bismayer, U.

AU - Neuefeind, J.

AU - Weber, H. P.

AU - Palosz, W.

PY - 2003/1/1

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N2 - The applicability of standard methods for the evaluation of powder diffraction data of nano-size crystallites is analyzed. Based on theoretical considerations, it is shown that deviations of the structure of small particles from the Bragg approximation on an infinite crystal lattice leads to significant differences in the diffraction patterns, which may lead to an erroneous interpretation of the experimental results. An alternative evaluation of the diffraction data of nano-particles, based on the so-called "apparent lattice parameter", alp, is proposed. Based on this method, it is shown that real nano-crystals constitute a complex, heterogeneous multi-phase structure.

AB - The applicability of standard methods for the evaluation of powder diffraction data of nano-size crystallites is analyzed. Based on theoretical considerations, it is shown that deviations of the structure of small particles from the Bragg approximation on an infinite crystal lattice leads to significant differences in the diffraction patterns, which may lead to an erroneous interpretation of the experimental results. An alternative evaluation of the diffraction data of nano-particles, based on the so-called "apparent lattice parameter", alp, is proposed. Based on this method, it is shown that real nano-crystals constitute a complex, heterogeneous multi-phase structure.

KW - Diffraction

KW - Nano-crystals

KW - SiC

KW - Surface structure

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JO - Phase Transitions

JF - Phase Transitions

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ER -

Application of X-ray powder diffraction to nano-materials - Determination of the atomic structure of nanocrystals with relaxed and strained surfaces

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