Giordano, L;
Sushko, PV;
Pacchioni, G;
Shluger, AL;
(2007)
Electron trapping at point defects on hydroxylated silica surfaces.
PHYS REV LETT
, 99
(13)
, Article 136801. 10.1103/PhysRevLett.99.136801.
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Abstract
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, equivalent to Si-O-center dot, and the silicon dangling bond, equivalent to Si-center dot, 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.
| Type: | Article |
|---|---|
| Title: | Electron trapping at point defects on hydroxylated silica surfaces |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.99.136801 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.99.136801 |
| Language: | English |
| Additional information: | © 2007 The American Physical Society |
| Keywords: | CENTERS, GLASS, ULTRAVIOLET, HYDROGEN, FIELDS, SIO2 |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/81567 |
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