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Ultrastability and Enhanced Stiffness of 6nm TiO2 Nanoanatase and Eventual Pressure-Induced Disorder on the Nanometer Scale

V. Pischedda, G. R. Hearne, A. M. Dawe, and J. E. Lowther
Phys. Rev. Lett. 96, 035509 – Published 27 January 2006

Abstract

At 300 K ultrafine 6nm grain-size nanoanatase retains its structural integrity up to 18 GPa. There is progressive pressure-induced structural disorder to a highly disordered state at P>18GPa. Signatures of short-range order persist to well beyond 18 GPa in both the synchrotron–x-ray diffraction and Raman data. Molecular dynamics simulations suggest disorder initiated in the surface shell of a nanograin with crystallinity being retained in the core. A bulk modulus B0=237±3GPa for the nanoanatase (30% higher than the bulk value) is derived from the PV data, concordant with the MD calculations.

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  • Received 9 August 2005

DOI:https://doi.org/10.1103/PhysRevLett.96.035509

©2006 American Physical Society

Authors & Affiliations

V. Pischedda, G. R. Hearne, A. M. Dawe, and J. E. Lowther

  • DST-NRF Center of Excellence in Strong Materials and School of Physics, University of the Witwatersrand, P.O. Wits, 2050, Johannesburg, South Africa

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Issue

Vol. 96, Iss. 3 — 27 January 2006

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