Skip to content

Research at St Andrews

The Shape of TiO2-B Nanoparticles

Research output: Research - peer-reviewArticle

DOI

Author(s)

Yuri G. Andreev, Pooja M. Panchmatia, Zheng Liu, Stephen C. Parker, M. Saiful Islam, Peter G. Bruce

School/Research organisations

Abstract

The shape of nanoparticles can be important in defining their properties. Establishing the exact shape of particles is a challenging task when the particles tend to agglomerate and their size is just a few nanometers. Here we report a structure refinement procedure for establishing the shape of nanoparticles using powder diffraction data. The method utilizes the fundamental formula of Debye coupled with a Monte Carlo-based optimization and has been successfully applied to TiO2-B nanoparticles. Atomistic modeling and molecular dynamics simulations of ensembles of all the ions in the nanoparticle reveal surface hydroxylation as the underlying reason for the established shape and structural features.

Close

Details

Original languageEnglish
Pages (from-to)6306-6312
Number of pages7
JournalJournal of the American Chemical Society
Volume136
Issue number17
Early online date8 Apr 2014
DOIs
StatePublished - 30 Apr 2014

    Research areas

  • Atomistic Simulation, Lithium Insertion, Surgace-structures, Anatase, TIO2(B), Nanocrystals, Polymorphs, Morphology, Nanotubes, Storage

Discover related content
Find related publications, people, projects and more using interactive charts.

View graph of relations

Related by author

  1. Na0.35MnO2 as an ionic conductor with randomly distributed nano-sized layers

    Adomkevicius, A., Cabo-Fernandez, L., Wu, T-H., Ou, T-M., Chen, M-G., Andreev, Y., Hu, C-C. & Hardwick, L. J. 28 May 2017 In : Journal of Materials Chemistry A. 5, 20, p. 10021-10026

    Research output: Research - peer-reviewArticle

  2. Crystalline polymer electrolytes

    Andreev, Y. G., Zhang, C. & Bruce, FRS, P. Aug 2015 Handbook of Solid State Batteries. Dudney, N. J., West, W. C. & Nanda, J. (eds.). 2nd ed. World Scientific Publishing Co. Pte Ltd, p. 503-522 (Materials and Energy; vol. 6)

    Research output: ResearchChapter

  3. Synthesis of Poly(ethylene oxide) Approaching Monodispersity

    Maranski, K., Andreev, Y. G. & Bruce, P. G. Jun 2014 In : Angewandte Chemie International Edition. 53, 25, p. 6411-6413 3 p.

    Research output: Research - peer-reviewArticle

  4. Nanostructured TiO2(B): the effect of size and shape on anode properties for Li-ion batteries

    Liu, Z., Andreev, Y. G., Armstrong, A. R., Brutti, S., Ren, Y. & Bruce, P. G. Jun 2013 In : Progress in Natural Science: Materials International. 23, 3, p. 235-244 10 p.

    Research output: Research - peer-reviewReview article

Related by journal

  1. Distance measurement of a non-covalently bound Y@C82 Pair with double electron electron resonance spectroscopy

    Gil-Ramírez, G., Shah, A., El Mkami, H., Porfyrakis, K., Briggs, A. D., Morton, J. J. L., Anderson, H. L. & Lovett, J. E. 6 Jun 2018 (Accepted/In press) In : Journal of the American Chemical Society. Just Accepted

    Research output: Research - peer-reviewArticle

  2. An environmentally-responsive reciprocal replicating network

    Robertson, C. C., Mackenzie, H. W., Kosikova, T. & Philp, D. 9 May 2018 In : Journal of the American Chemical Society. In press

    Research output: Research - peer-reviewArticle

  3. A structural model of a P450-ferredoxin complex from orientation-selective double electron-electron resonance spectroscopy

    Bowen, A. M., Johnson, E. O. D., Mercuri, F., Hoskins, N. J., Qiao, R., McCullagh, J. S. O., Lovett, J. E., Bell, S. G., Zhou, W., Timmel, C. R., Wong, L. L. & Harmer, J. R. 21 Feb 2018 In : Journal of the American Chemical Society. 140, 7, p. 2514-2527

    Research output: Research - peer-reviewArticle

  4. Interrogating Pd(II) anion metathesis using a bifunctional chemical probe

    Molloy, J. J., Seath, C. P., West, M. J., McLaughlin, C., Fazakerley, N. J., Kennedy, A. R., Nelson, D. J. & Watson, A. J. B. 10 Jan 2018 In : Journal of the American Chemical Society. 140, 1, p. 126-130

    Research output: Research - peer-reviewArticle

  5. Dealkanative main group couplings across the peri-gap

    Taylor, L. J., Buehl, M., Chalmers, B. A., Ray, M. J., Wawrzyniak, P., Walton, J. C., Cordes, D. B., Slawin, A. M. Z., Woollins, J. D. & Kilian, P. 27 Dec 2017 In : Journal of the American Chemical Society. 139, 51, p. 18545-18551

    Research output: Research - peer-reviewArticle

Related by journal

  1. Journal of the American Chemical Society (Journal)

    David Trevor Richens (Editor)
    2005 → …

    Activity: Publication peer-review and editorial workEditor of research journal

ID: 124926558