eprintid: 1463171
rev_number: 37
eprint_status: archive
userid: 608
dir: disk0/01/46/31/71
datestamp: 2016-03-03 15:39:16
lastmod: 2021-09-19 23:37:11
status_changed: 2016-03-03 15:39:16
type: article
metadata_visibility: show
item_issues_count: 0
creators_name: El-Sayed, AM
creators_name: Watkins, MB
creators_name: Grasser, T
creators_name: Afanas'ev, VV
creators_name: Shluger, AL
title: Hydrogen-induced rupture of strained Si─O bonds in amorphous silicon dioxide
ispublished: pub
divisions: UCL
divisions: B04
divisions: C06
divisions: F60
note: Copyright © 2015 American Physical Society.
abstract: Using ab initio modeling we demonstrate that H atoms can break strained Si─O bonds in continuous amorphous silicon dioxide (a-SiO(2)) networks, resulting in a new defect consisting of a threefold-coordinated Si atom with an unpaired electron facing a hydroxyl group, adding to the density of dangling bond defects, such as E' centers. The energy barriers to form this defect from interstitial H atoms range between 0.5 and 1.3 eV. This discovery of unexpected reactivity of atomic hydrogen may have significant implications for our understanding of processes in silica glass and nanoscaled silica, e.g., in porous low-permittivity insulators, and strained variants of a-SiO(2).
date: 2015-03-20
official_url: http://dx.doi.org/10.1103/PhysRevLett.114.115503
vfaculties: VMPS
oa_status: green
full_text_type: pub
language: eng
primo: open
primo_central: open_green
article_type_text: Journal Article
verified: verified_manual
elements_source: Manually entered
elements_id: 1018588
doi: 10.1103/PhysRevLett.114.115503
lyricists_name: El-Sayed, Al-Moatasem
lyricists_name: Shluger, Alexander
lyricists_id: ABELS38
lyricists_id: ASHLU39
full_text_status: public
publication: Physical Review Letters
volume: 114
number: 11
article_number: 115503
event_location: United States
issn: 1079-7114
citation:        El-Sayed, AM;    Watkins, MB;    Grasser, T;    Afanas'ev, VV;    Shluger, AL;      (2015)    Hydrogen-induced rupture of strained Si─O bonds in amorphous silicon dioxide.                   Physical Review Letters , 114  (11)    , Article 115503.  10.1103/PhysRevLett.114.115503 <https://doi.org/10.1103/PhysRevLett.114.115503>.       Green open access   
 
document_url: https://discovery.ucl.ac.uk/id/eprint/1463171/5/El-Sayed_PhysRevLett.114.115503.pdf