eprintid: 1443432 rev_number: 37 eprint_status: archive userid: 608 dir: disk0/01/44/34/32 datestamp: 2014-08-29 19:38:06 lastmod: 2021-10-04 01:43:12 status_changed: 2016-02-17 11:36:05 type: article metadata_visibility: show item_issues_count: 0 creators_name: Smith, R creators_name: Brázdová, V creators_name: Bowler, DR title: Hydrogen adsorption and diffusion around Si(0 0 1)/Si(1 1 0) corners in nanostructures ispublished: pub divisions: UCL divisions: B04 divisions: C06 divisions: F60 note: Copyright © 2014 IOP Publishing Ltd. abstract: While the diffusion of hydrogen on silicon surfaces has been relatively well characterized, both experimentally and theoretically, diffusion around corners between surfaces, as will be found on nanowires and nanostructures, has not been studied. Motivated by nanostructure fabrication by Patterned Atomic Layer Epitaxy, we present a density functional theory study of the diffusion of hydrogen around the edge formed by the orthogonal (0 0 1) and (1 1 0) surfaces in silicon. We find that the barrier from (0 0 1) to (1 1 0) is approximately 0.3 eV lower than from (1 1 0) to (0 0 1), and that it is comparable to diffusion between rows on a clean surface, with no significant effect on the hydrogen patterns at the growth temperatures used. date: 2014-07-23 official_url: http://dx.doi.org/10.1088/0953-8984/26/29/295301 vfaculties: VMPS oa_status: green full_text_type: other language: eng primo: open primo_central: open_green article_type_text: Journal Article verified: verified_manual elements_source: PubMed elements_id: 971932 doi: 10.1088/0953-8984/26/29/295301 lyricists_name: Bowler, David lyricists_name: Brazdova, Veronika lyricists_id: DBOWL76 lyricists_id: VBRAZ31 full_text_status: public publication: Journal of Physics: Condensed Matter volume: 26 number: 29 article_number: 295301 event_location: England issn: 1361-648X citation: Smith, R; Brázdová, V; Bowler, DR; (2014) Hydrogen adsorption and diffusion around Si(0 0 1)/Si(1 1 0) corners in nanostructures. Journal of Physics: Condensed Matter , 26 (29) , Article 295301. 10.1088/0953-8984/26/29/295301 <https://doi.org/10.1088/0953-8984%2F26%2F29%2F295301>. Green open access document_url: https://discovery.ucl.ac.uk/id/eprint/1443432/1/Bowler_1404.1769v2.pdf