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Analytical description of nanowires III: regular cross sections for wurtzite structures
Setting out from König & Smith [ Acta Cryst. (2019), B75, 788–802; Acta Cryst. (2021), B77, 861], we present an analytic description of nominal wurtzite-structure nanowire (NWire) cross sections, focusing on the underlying geometric–crystallographic description and on the associated number the...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9370209/ https://www.ncbi.nlm.nih.gov/pubmed/35975832 http://dx.doi.org/10.1107/S2052520622004954 |
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author | König, Dirk Smith, Sean C. |
author_facet | König, Dirk Smith, Sean C. |
author_sort | König, Dirk |
collection | PubMed |
description | Setting out from König & Smith [ Acta Cryst. (2019), B75, 788–802; Acta Cryst. (2021), B77, 861], we present an analytic description of nominal wurtzite-structure nanowire (NWire) cross sections, focusing on the underlying geometric–crystallographic description and on the associated number theory. For NWires with diameter d (Wire)[i], we predict the number of NWire atoms N (Wire)[i], the bonds between these N (bnd)[i] and NWire interface bonds N (IF)[i] for a slab of unit-cell length, along with basic geometric variables, such as the specific length of interface facets, as well as widths, heights and total area of the cross section. These areas, the ratios of internal bonds per NWire atom, of internal-to-interface bonds and of interface bonds per NWire atom present fundamental tools to interpret any spectroscopic data which depend on the diameter and cross section shape of NWires. Our work paves the way for a fourth publication which – in analogy to König & Smith [ Acta Cryst. (2022). B78, 643–664] – will provide adaptive number series to allow for arbitrary morphing of nominal w-structure NWire cross sections treated herein. |
format | Online Article Text |
id | pubmed-9370209 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-93702092022-08-15 Analytical description of nanowires III: regular cross sections for wurtzite structures König, Dirk Smith, Sean C. Acta Crystallogr B Struct Sci Cryst Eng Mater Research Papers Setting out from König & Smith [ Acta Cryst. (2019), B75, 788–802; Acta Cryst. (2021), B77, 861], we present an analytic description of nominal wurtzite-structure nanowire (NWire) cross sections, focusing on the underlying geometric–crystallographic description and on the associated number theory. For NWires with diameter d (Wire)[i], we predict the number of NWire atoms N (Wire)[i], the bonds between these N (bnd)[i] and NWire interface bonds N (IF)[i] for a slab of unit-cell length, along with basic geometric variables, such as the specific length of interface facets, as well as widths, heights and total area of the cross section. These areas, the ratios of internal bonds per NWire atom, of internal-to-interface bonds and of interface bonds per NWire atom present fundamental tools to interpret any spectroscopic data which depend on the diameter and cross section shape of NWires. Our work paves the way for a fourth publication which – in analogy to König & Smith [ Acta Cryst. (2022). B78, 643–664] – will provide adaptive number series to allow for arbitrary morphing of nominal w-structure NWire cross sections treated herein. International Union of Crystallography 2022-07-15 /pmc/articles/PMC9370209/ /pubmed/35975832 http://dx.doi.org/10.1107/S2052520622004954 Text en © König and Smith 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Papers König, Dirk Smith, Sean C. Analytical description of nanowires III: regular cross sections for wurtzite structures |
title | Analytical description of nanowires III: regular cross sections for wurtzite structures |
title_full | Analytical description of nanowires III: regular cross sections for wurtzite structures |
title_fullStr | Analytical description of nanowires III: regular cross sections for wurtzite structures |
title_full_unstemmed | Analytical description of nanowires III: regular cross sections for wurtzite structures |
title_short | Analytical description of nanowires III: regular cross sections for wurtzite structures |
title_sort | analytical description of nanowires iii: regular cross sections for wurtzite structures |
topic | Research Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9370209/ https://www.ncbi.nlm.nih.gov/pubmed/35975832 http://dx.doi.org/10.1107/S2052520622004954 |
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