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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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Autores principales: König, Dirk, Smith, Sean C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
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.
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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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