Atomic-scale structure of nanocrystals by the atomic pair distribution function technique

V. Petkov

doi:10.1080/08927020412331308485

Atomic-scale structure of nanocrystals by the atomic pair distribution function technique

V. Petkov

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

4 Scopus citations

Abstract

The approach of the atomic pair distribution function (PDF) technique to determine the atomic-scale structure of nanocrystalline materials is introduced and illustrated with results of studies on V₂O₅ nanotubes and clusters of Cs atoms intercalated inside the pores of the zeolite ITQ-4. We find that V₂O₅ nanotubes are built of double layers of V-O₅ and V-O₄ units. Inside the channels in ITQ-4 Cs atoms are found to assemble in short-range ordered zigzag chains.

Original language	English
Pages (from-to)	101-105
Number of pages	5
Journal	Molecular Simulation
Volume	31
Issue number	2-3
DOIs	https://doi.org/10.1080/08927020412331308485
State	Published - Feb 15 2005

Keywords

Bragg peaks
Structure determination
VO nanotubes
X-ray diffraction

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10.1080/08927020412331308485

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title = "Atomic-scale structure of nanocrystals by the atomic pair distribution function technique",

abstract = "The approach of the atomic pair distribution function (PDF) technique to determine the atomic-scale structure of nanocrystalline materials is introduced and illustrated with results of studies on V2O5 nanotubes and clusters of Cs atoms intercalated inside the pores of the zeolite ITQ-4. We find that V2O5 nanotubes are built of double layers of V-O5 and V-O4 units. Inside the channels in ITQ-4 Cs atoms are found to assemble in short-range ordered zigzag chains.",

keywords = "Bragg peaks, Structure determination, VO nanotubes, X-ray diffraction",

author = "V. Petkov",

note = "Funding Information: The work was supported in part by NSF through grant DMR 0304391(NIRT). APS is supported by DOE under Contract W-31-109-Eng-38. NSLS is supported by DOE under Contract No. DE-AC02-98CH10886. The author thanks S.J.L. Billinge, M.G. Kanatzidis, J. Dye, P. Zavalij, T. Vogt and S. Shastri for the fruitful cooperation.",

year = "2005",

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doi = "10.1080/08927020412331308485",

language = "English",

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journal = "Molecular Simulation",

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T1 - Atomic-scale structure of nanocrystals by the atomic pair distribution function technique

AU - Petkov, V.

N1 - Funding Information: The work was supported in part by NSF through grant DMR 0304391(NIRT). APS is supported by DOE under Contract W-31-109-Eng-38. NSLS is supported by DOE under Contract No. DE-AC02-98CH10886. The author thanks S.J.L. Billinge, M.G. Kanatzidis, J. Dye, P. Zavalij, T. Vogt and S. Shastri for the fruitful cooperation.

PY - 2005/2/15

Y1 - 2005/2/15

N2 - The approach of the atomic pair distribution function (PDF) technique to determine the atomic-scale structure of nanocrystalline materials is introduced and illustrated with results of studies on V2O5 nanotubes and clusters of Cs atoms intercalated inside the pores of the zeolite ITQ-4. We find that V2O5 nanotubes are built of double layers of V-O5 and V-O4 units. Inside the channels in ITQ-4 Cs atoms are found to assemble in short-range ordered zigzag chains.

AB - The approach of the atomic pair distribution function (PDF) technique to determine the atomic-scale structure of nanocrystalline materials is introduced and illustrated with results of studies on V2O5 nanotubes and clusters of Cs atoms intercalated inside the pores of the zeolite ITQ-4. We find that V2O5 nanotubes are built of double layers of V-O5 and V-O4 units. Inside the channels in ITQ-4 Cs atoms are found to assemble in short-range ordered zigzag chains.

KW - Bragg peaks

KW - Structure determination

KW - VO nanotubes

KW - X-ray diffraction

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U2 - 10.1080/08927020412331308485

DO - 10.1080/08927020412331308485

M3 - Article

AN - SCOPUS:12344297659

VL - 31

SP - 101

EP - 105

JO - Molecular Simulation

JF - Molecular Simulation

SN - 0892-7022

IS - 2-3

ER -

Atomic-scale structure of nanocrystals by the atomic pair distribution function technique

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Keywords

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