Electron Trapping at Point Defects on Hydroxylated Silica Surfaces

Livia Giordano, Peter V. Sushko, Gianfranco Pacchioni, and Alexander L. Shluger
Phys. Rev. Lett. 99, 136801 – Published 24 September 2007


The origin of electron trapping and negative charging of hydroxylated silica surfaces is predicted based on accurate quantum-mechanical calculations. The calculated electron affinities of the two dominant neutral paramagnetic defects, the nonbridging oxygen center, SiO, and the silicon dangling bond, Si, demonstrate that both defects are deep electron traps and can form the corresponding negatively charged defects. We predict the structure and optical absorption energies of these diamagnetic defects.

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  • Received 5 April 2007


©2007 American Physical Society

Authors & Affiliations

Livia Giordano1, Peter V. Sushko2, Gianfranco Pacchioni1, and Alexander L. Shluger2

  • 1Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via R. Cozzi, 53-20125 Milano, Italy
  • 2Department of Physics and Astronomy, London Centre for Nanotechnology, Materials Simulation Laboratory, University College London, Gower Street, London WC1E 6BT, United Kingdom

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Vol. 99, Iss. 13 — 28 September 2007

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Heating up of Superconductors
January 27, 2017

This collection marks the 30th anniversary of the discovery of high-temperature superconductors. The papers selected highlight some of the advances that have been made to date, both in understanding why these compounds behave in the way they do, and in utilizing them in applications. The papers included in the collection have been made free to read.

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