WAXS and PDF-based analyses of chromium doping in nanocrystalline titania (anatase and brookite)

Hengzhong Zhang; Benjamin Gilbert; Bin Chen; Julian F. Banfield

doi:10.1557/proc-0915-r07-02

WAXS and PDF-based analyses of chromium doping in nanocrystalline titania (anatase and brookite)

Hengzhong Zhang^*
, Benjamin Gilbert
, Bin Chen
, Julian F. Banfield

^*Corresponding author for this work

University of California at Berkeley
Lawrence Berkeley National Laboratory

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

Chromium-doped (0.5-10 % Cr:Ti molar ratio) nanocrystalline titania (5-6 nm) prepared via sol-gel method was examined by synchrotron-based wide angle x-ray scattering (WAXS) for crystal structure determination. Atomic pair-distribution functions (PDF) for both raw and heattreated samples were obtained by Fourier transforms of the WAXS data. The PDF data were fitted using structural models of nanocrystalline titania that considered phase compositions, lattice parameters, atomic positions and thermal factors. The unit cell of Cr-doped nanocrystalline titania expanded 1-2 % with respect to bulk titania as a consequence of the substitution of Ti by Cr and the generation of oxygen vacancies. We observed a lattice contraction after heat-treatment that may be caused by the redistribution of Cr atoms to nanoparticle surfaces during phase transformation and particle coarsening.

Original language	English
Title of host publication	Nanostructured Materials and Hybrid Composites for Gas Sensors and Biomedical Applications
Publisher	Materials Research Society
Pages	237-242
Number of pages	6
ISBN (Print)	9781558998711
DOIs	https://doi.org/10.1557/proc-0915-r07-02
State	Published - 2006
Externally published	Yes
Event	2006 Materials Research Society Spring Meeting - San Francisco, CA, United States Duration: 18 Apr 2006 → 20 Apr 2006

Publication series

Name	Materials Research Society Symposium Proceedings
Volume	915
ISSN (Print)	0272-9172

Conference

Conference	2006 Materials Research Society Spring Meeting
Country/Territory	United States
City	San Francisco, CA
Period	18/04/06 → 20/04/06

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10.1557/proc-0915-r07-02

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Zhang, H., Gilbert, B., Chen, B., & Banfield, J. F. (2006). WAXS and PDF-based analyses of chromium doping in nanocrystalline titania (anatase and brookite). In Nanostructured Materials and Hybrid Composites for Gas Sensors and Biomedical Applications (pp. 237-242). (Materials Research Society Symposium Proceedings; Vol. 915). Materials Research Society. https://doi.org/10.1557/proc-0915-r07-02

@inproceedings{bf6d2e4872e14fa3ab49e708905e154e,

title = "WAXS and PDF-based analyses of chromium doping in nanocrystalline titania (anatase and brookite)",

abstract = "Chromium-doped (0.5-10 \% Cr:Ti molar ratio) nanocrystalline titania (5-6 nm) prepared via sol-gel method was examined by synchrotron-based wide angle x-ray scattering (WAXS) for crystal structure determination. Atomic pair-distribution functions (PDF) for both raw and heattreated samples were obtained by Fourier transforms of the WAXS data. The PDF data were fitted using structural models of nanocrystalline titania that considered phase compositions, lattice parameters, atomic positions and thermal factors. The unit cell of Cr-doped nanocrystalline titania expanded 1-2 \% with respect to bulk titania as a consequence of the substitution of Ti by Cr and the generation of oxygen vacancies. We observed a lattice contraction after heat-treatment that may be caused by the redistribution of Cr atoms to nanoparticle surfaces during phase transformation and particle coarsening.",

author = "Hengzhong Zhang and Benjamin Gilbert and Bin Chen and Banfield, \{Julian F.\}",

year = "2006",

doi = "10.1557/proc-0915-r07-02",

language = "英语",

isbn = "9781558998711",

series = "Materials Research Society Symposium Proceedings",

publisher = "Materials Research Society",

pages = "237--242",

booktitle = "Nanostructured Materials and Hybrid Composites for Gas Sensors and Biomedical Applications",

note = "2006 Materials Research Society Spring Meeting ; Conference date: 18-04-2006 Through 20-04-2006",

}

Zhang, H, Gilbert, B, Chen, B & Banfield, JF 2006, WAXS and PDF-based analyses of chromium doping in nanocrystalline titania (anatase and brookite). in Nanostructured Materials and Hybrid Composites for Gas Sensors and Biomedical Applications. Materials Research Society Symposium Proceedings, vol. 915, Materials Research Society, pp. 237-242, 2006 Materials Research Society Spring Meeting, San Francisco, CA, United States, 18/04/06. https://doi.org/10.1557/proc-0915-r07-02

WAXS and PDF-based analyses of chromium doping in nanocrystalline titania (anatase and brookite). / Zhang, Hengzhong; Gilbert, Benjamin; Chen, Bin et al.
Nanostructured Materials and Hybrid Composites for Gas Sensors and Biomedical Applications. Materials Research Society, 2006. p. 237-242 (Materials Research Society Symposium Proceedings; Vol. 915).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - WAXS and PDF-based analyses of chromium doping in nanocrystalline titania (anatase and brookite)

AU - Zhang, Hengzhong

AU - Gilbert, Benjamin

AU - Chen, Bin

AU - Banfield, Julian F.

PY - 2006

Y1 - 2006

N2 - Chromium-doped (0.5-10 % Cr:Ti molar ratio) nanocrystalline titania (5-6 nm) prepared via sol-gel method was examined by synchrotron-based wide angle x-ray scattering (WAXS) for crystal structure determination. Atomic pair-distribution functions (PDF) for both raw and heattreated samples were obtained by Fourier transforms of the WAXS data. The PDF data were fitted using structural models of nanocrystalline titania that considered phase compositions, lattice parameters, atomic positions and thermal factors. The unit cell of Cr-doped nanocrystalline titania expanded 1-2 % with respect to bulk titania as a consequence of the substitution of Ti by Cr and the generation of oxygen vacancies. We observed a lattice contraction after heat-treatment that may be caused by the redistribution of Cr atoms to nanoparticle surfaces during phase transformation and particle coarsening.

AB - Chromium-doped (0.5-10 % Cr:Ti molar ratio) nanocrystalline titania (5-6 nm) prepared via sol-gel method was examined by synchrotron-based wide angle x-ray scattering (WAXS) for crystal structure determination. Atomic pair-distribution functions (PDF) for both raw and heattreated samples were obtained by Fourier transforms of the WAXS data. The PDF data were fitted using structural models of nanocrystalline titania that considered phase compositions, lattice parameters, atomic positions and thermal factors. The unit cell of Cr-doped nanocrystalline titania expanded 1-2 % with respect to bulk titania as a consequence of the substitution of Ti by Cr and the generation of oxygen vacancies. We observed a lattice contraction after heat-treatment that may be caused by the redistribution of Cr atoms to nanoparticle surfaces during phase transformation and particle coarsening.

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U2 - 10.1557/proc-0915-r07-02

DO - 10.1557/proc-0915-r07-02

M3 - 会议稿件

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SN - 9781558998711

T3 - Materials Research Society Symposium Proceedings

SP - 237

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BT - Nanostructured Materials and Hybrid Composites for Gas Sensors and Biomedical Applications

PB - Materials Research Society

T2 - 2006 Materials Research Society Spring Meeting

Y2 - 18 April 2006 through 20 April 2006

ER -

WAXS and PDF-based analyses of chromium doping in nanocrystalline titania (anatase and brookite)

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