History-dependent thermal expansion in NbO{sub 2}F

Josefsberg, Ryan E.; Gallington, Leighanne C.; Morelock, Cody R.; Monaco, Christopher M.

doi:10.1016/J.JSSC.2014.02.003

Title: History-dependent thermal expansion in NbO{sub 2}F

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Abstract

Materials with cubic ReO{sub 3}-type structures are of interest for their low or negative thermal expansion characteristics. TaO{sub 2}F is known to display almost zero thermal expansion over a wide temperature range. On heating NbO{sub 2}F, its volume coefficient of thermal expansion decreases from ∼+45 ppm K{sup −1} at 100 K to almost zero at 400 K. NbO{sub 2}F is cubic between 100 and 500 K. Samples of “NbO{sub 2}F” prepared by the digestion of Nb{sub 2}O{sub 5} in aqueous HF followed by mild drying contain hydroxyl defects and metal vacancies. On heating, they can undergo irreversible chemical changes while maintaining a cubic ReO{sub 3}-type structure. The possibility of hydroxyl defect incorporation should be considered when preparing oxyfluorides for evaluation as battery materials. - Graphical abstract: “NbO{sub 2}F” prepared by the digestion of Nb{sub 2}O{sub 5} in HF contains cation vacancies and hydroxyl groups. It undergoes irreversible changes on heating to low temperatures, unlike NbO{sub 2}F prepared by the solid state reaction of Nb{sub 2}O{sub 5} and NbF{sub 5}. - Highlights: • The digestion of Nb{sub 2}O{sub 5} in aqueous HF followed by mild drying does not produce NbO{sub 2}F. • The ReO{sub 3}-type product from the HF digestion ofmore »« less

Authors:

Josefsberg, Ryan E.; Gallington, Leighanne C.; Morelock, Cody R.; Monaco, Christopher M. ^[1]

School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400 (United States)

Publication Date:: Thu May 01 00:00:00 EDT 2014

OSTI Identifier:: 22334198

Resource Type:: Journal Article

Journal Name:: Journal of Solid State Chemistry

Additional Journal Information:: Journal Volume: 213; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANIONS; CATIONS; DEFECTS; EVALUATION; HYDROXIDES; NIOBATES; NIOBIUM; NIOBIUM OXIDES; OXYFLUORIDES; RHENIUM; RHENIUM OXIDES; SOLIDS; THERMAL EXPANSION

Citation Formats


                    Wilkinson, Angus P., E-mail: angus.wilkinson@chemistry.gatech.edu, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245, Josefsberg, Ryan E., Gallington, Leighanne C., Morelock, Cody R., and Monaco, Christopher M. History-dependent thermal expansion in NbO{sub 2}F.  United States: N. p., 2014. 
        Web.  doi:10.1016/J.JSSC.2014.02.003.

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                    Wilkinson, Angus P., E-mail: angus.wilkinson@chemistry.gatech.edu, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245, Josefsberg, Ryan E., Gallington, Leighanne C., Morelock, Cody R., & Monaco, Christopher M. History-dependent thermal expansion in NbO{sub 2}F.  United States.  https://doi.org/10.1016/J.JSSC.2014.02.003

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                    Wilkinson, Angus P., E-mail: angus.wilkinson@chemistry.gatech.edu, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245, Josefsberg, Ryan E., Gallington, Leighanne C., Morelock, Cody R., and Monaco, Christopher M. 2014.  
        "History-dependent thermal expansion in NbO{sub 2}F".  United States.  https://doi.org/10.1016/J.JSSC.2014.02.003.

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@article{osti_22334198,

  title        = {History-dependent thermal expansion in NbO{sub 2}F},

  author       = {Wilkinson, Angus P., E-mail: angus.wilkinson@chemistry.gatech.edu and School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245 and Josefsberg, Ryan E. and Gallington, Leighanne C. and Morelock, Cody R. and Monaco, Christopher M.},

  abstractNote = {Materials with cubic ReO{sub 3}-type structures are of interest for their low or negative thermal expansion characteristics. TaO{sub 2}F is known to display almost zero thermal expansion over a wide temperature range. On heating NbO{sub 2}F, its volume coefficient of thermal expansion decreases from ∼+45 ppm K{sup −1} at 100 K to almost zero at 400 K. NbO{sub 2}F is cubic between 100 and 500 K. Samples of “NbO{sub 2}F” prepared by the digestion of Nb{sub 2}O{sub 5} in aqueous HF followed by mild drying contain hydroxyl defects and metal vacancies. On heating, they can undergo irreversible chemical changes while maintaining a cubic ReO{sub 3}-type structure. The possibility of hydroxyl defect incorporation should be considered when preparing oxyfluorides for evaluation as battery materials. - Graphical abstract: “NbO{sub 2}F” prepared by the digestion of Nb{sub 2}O{sub 5} in HF contains cation vacancies and hydroxyl groups. It undergoes irreversible changes on heating to low temperatures, unlike NbO{sub 2}F prepared by the solid state reaction of Nb{sub 2}O{sub 5} and NbF{sub 5}. - Highlights: • The digestion of Nb{sub 2}O{sub 5} in aqueous HF followed by mild drying does not produce NbO{sub 2}F. • The ReO{sub 3}-type product from the HF digestion of Nb{sub 2}O{sub 5} contains metal vacancies and hydroxyl. • The thermal expansion coefficient of NbO{sub 2}F decreases on heating and approaches zero at ∼400 K.},

  doi          = {10.1016/J.JSSC.2014.02.003},

  url          = {https://www.osti.gov/biblio/22334198},
  journal      = {Journal of Solid State Chemistry},

  issn         = {0022-4596},

  number       = ,

  volume       = 213,

  place        = {United States},

  year         = {Thu May 01 00:00:00 EDT 2014},

  month        = {Thu May 01 00:00:00 EDT 2014}

}

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