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One focus is the study of fully sp2 nongraphitic networks, with successfully synthesized examples. Hybrid sp\u2013sp2 systems of the graphyne family are a related approach, and many systems have the honeycomb lattice as a base model. However, other examples have been inspired by other lattices as the recently proposed r\u03b3GY sheet, which features a semiconducting behavior with highly localized quasi-1D states. Here, we investigate how to tune r\u03b3GY properties by folding this sheet into nanotube forms. We elucidate mechanisms that determine their electronic structure by means of density functional theory calculations, as well as we identify the interplay involving chirality, diameter, and the emergence of dispersive\/localized frontier states on gap modulation through simple extrapolated methods.<\/jats:p>","DOI":"10.1021\/acsnanoscienceau.5c00157","type":"journal-article","created":{"date-parts":[[2026,6,4]],"date-time":"2026-06-04T16:56:58Z","timestamp":1780592218000},"page":"558-569","source":"Crossref","is-referenced-by-count":0,"title":["Semiconducting Nanotubes Derived from a Rectangular\nGraphyne: A DFT Study"],"prefix":"10.1021","volume":"6","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2832-9687","authenticated-orcid":true,"given":"Wjefferson Henrique","family":"da Silva Branda\u0303o","sequence":"first","affiliation":[{"name":"Fluminense Federal University , , , ,","place":["Nitero\u0301i, Rio de Janeiro, Brazil, 24210-340"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anderson Gomes","family":"Vieira","sequence":"additional","affiliation":[{"name":"Universidade Federal do Piaui\u0301 , , , ,","place":["Teresina, Piaui\u0301, Brazil, 64049-550"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jonathan da Rocha","family":"Martins","sequence":"additional","affiliation":[{"name":"Universidade Federal do Piaui\u0301 , , , ,","place":["Teresina, Piaui\u0301, Brazil, 64049-550"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8152-6455","authenticated-orcid":true,"given":"Andrea","family":"Latge\u0301","sequence":"additional","affiliation":[{"name":"Fluminense Federal University , , , ,","place":["Nitero\u0301i, Rio de Janeiro, Brazil, 24210-340"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9058-510X","authenticated-orcid":true,"suffix":"Junior","given":"Marcelo Lopes","family":"Pereira","sequence":"additional","affiliation":[{"name":"University of Brasi\u0301lia , , ,","place":["Brasi\u0301lia, Brazil, 70910-900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9005-9484","authenticated-orcid":true,"given":"Eduardo Costa","family":"Gira\u0303o","sequence":"additional","affiliation":[{"name":"Universidade Federal do Piaui\u0301 , , , ,","place":["Teresina, Piaui\u0301, Brazil, 64049-550"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,6,4]]},"reference":[{"issue":"6042","key":"2026081909070944100_cit1","doi-asserted-by":"publisher","first-page":"162","DOI":"10.1038\/318162a0","article-title":"C-60 -\nBuckminsterfullerene","volume":"318","author":"Kroto","year":"1985","journal-title":"Nature"},{"issue":"6348","key":"2026081909070944100_cit2","doi-asserted-by":"publisher","first-page":"56","DOI":"10.1038\/354056a0","article-title":"Helical microtubules\nof graphitic carbon","volume":"354","author":"Iijima","year":"1991","journal-title":"Nature"},{"issue":"6430","key":"2026081909070944100_cit3","doi-asserted-by":"publisher","first-page":"603","DOI":"10.1038\/363603a0","article-title":"Single-shell\ncarbon nanotubes of 1 nm diameter","volume":"363","author":"Iijima","year":"1993","journal-title":"Nature"},{"issue":"6430","key":"2026081909070944100_cit4","doi-asserted-by":"publisher","first-page":"605","DOI":"10.1038\/363605a0","article-title":"Cobalt-catalyzed growth of carbon\nnanotubes with single-atomic layerwalls","volume":"363","author":"Bethune","year":"1993","journal-title":"Nature"},{"issue":"16","key":"2026081909070944100_cit5","doi-asserted-by":"publisher","first-page":"18695","DOI":"10.1021\/acsanm.4c02721","article-title":"Review\nof carbon nanotube research\nand development: Materials and emerging applications","volume":"7","author":"Hughes","year":"2024","journal-title":"ACS Appl. Nano Mater."},{"issue":"5696","key":"2026081909070944100_cit6","doi-asserted-by":"publisher","first-page":"666","DOI":"10.1126\/science.1102896","article-title":"Electric field effect\nin atomically thin carbon films","volume":"306","author":"Novoselov","year":"2004","journal-title":"Science"},{"issue":"6718","key":"2026081909070944100_cit7","doi-asserted-by":"publisher","first-page":"144","DOI":"10.1126\/science.ads4149","article-title":"Graphene,\nbeyond lab benches","volume":"386","author":"Zhao","year":"2024","journal-title":"Science"},{"key":"2026081909070944100_cit8","doi-asserted-by":"publisher","DOI":"10.1038\/natrevmats.2017.33","article-title":"2d transition\nmetal dichalcogenides","volume":"2","author":"Manzeli","year":"2017","journal-title":"Nat. Rev. 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Acad. Sci. U.S.A."},{"key":"2026081909070944100_cit29","doi-asserted-by":"publisher","first-page":"266","DOI":"10.1016\/j.carbon.2018.05.034","article-title":"Tetrahexcarbon: A two-dimensional\nallotrope of carbon","volume":"137","author":"Ram","year":"2018","journal-title":"Carbon"},{"issue":"8","key":"2026081909070944100_cit30","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.108.086804","article-title":"Competition\nfor graphene: graphynes with direction-dependent dirac cones","volume":"108","author":"Malko","year":"2012","journal-title":"Phys. Rev. Lett."},{"issue":"1","key":"2026081909070944100_cit31","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.progsolidstchem.2012.12.001","article-title":"Graphynes\nand graphdyines","volume":"41","author":"Ivanovskii","year":"2013","journal-title":"Prog. Solid State Chem."},{"issue":"19","key":"2026081909070944100_cit32","doi-asserted-by":"publisher","first-page":"9264","DOI":"10.1039\/c3nr03167e","article-title":"Intrinsic electronic and transport properties of graphyne\nsheets and nanoribbons","volume":"5","author":"Wu","year":"2013","journal-title":"Nanoscale"},{"key":"2026081909070944100_cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.4730325","article-title":"\u201cMagnetic and electronic properties\nof \u03b1-graphyne nanoribbons\u201d","volume":"136","author":"Yue","year":"2012","journal-title":"J. Chem. Phys."},{"key":"2026081909070944100_cit34","doi-asserted-by":"publisher","first-page":"246","DOI":"10.1016\/j.carbon.2014.12.002","article-title":"Electronic properties\nof \u03b1-graphyne\nnanotubes","volume":"84","author":"Kang","year":"2015","journal-title":"Carbon"},{"key":"2026081909070944100_cit35","doi-asserted-by":"publisher","first-page":"334","DOI":"10.1016\/j.orgel.2018.06.012","article-title":"Armchair \u03b1-graphyne nanoribbons\nas negative differential resistance devices: Induced by nitrogen doping","volume":"61","author":"Mohammadi","year":"2018","journal-title":"Org. Electron."},{"key":"2026081909070944100_cit36","doi-asserted-by":"publisher","first-page":"9324","DOI":"10.1039\/D1CP05491K","article-title":"Exploring\nthe enhancement of the thermoelectric properties of bilayer graphyne\nnanoribbons","volume":"24","author":"Rodrigues","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026081909070944100_cit37","doi-asserted-by":"publisher","first-page":"26813","DOI":"10.1039\/D2CP03438G","article-title":"The electronic properties of non-conventional \u03b1-graphyne nanoribbons","volume":"24","author":"Oliveira","year":"2022","journal-title":"Phys.\nChem. Chem. Phys."},{"key":"2026081909070944100_cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.carbon.2023.118618","article-title":"Theoretical characterization of tolanene:\nA new 2d sp-sp2 hybridized carbon allotrope","volume":"217","author":"Ullah","year":"2024","journal-title":"Carbon"},{"key":"2026081909070944100_cit39","doi-asserted-by":"publisher","DOI":"10.1016\/j.cartre.2025.100506","article-title":"Structural, mechanical, and electronic\nproperties of single graphyne layers based on a 2d biphenylene network","volume":"20","author":"Re\u0302go","year":"2025","journal-title":"Carbon Trends"},{"key":"2026081909070944100_cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.cartre.2024.100395","article-title":"Electronic\nproperties of two-dimensional rectangular graphyne based on phenyl-like\nbuilding blocks","volume":"16","author":"Vieira","year":"2024","journal-title":"Carbon Trends"},{"key":"2026081909070944100_cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.flatc.2024.100760","article-title":"Design of\nbiphenylene-derived tunable dirac materials","volume":"48","author":"Hong","year":"2024","journal-title":"FlatChem"},{"issue":"3B","key":"2026081909070944100_cit42","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.136.B864","article-title":"Inhomogeneous Electron Gas","volume":"136","author":"Hohenberg","year":"1964","journal-title":"Phys. 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Phys."},{"key":"2026081909070944100_cit51","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.80.115205","article-title":"Heyd-scuseria-ernzerhof\nhybrid functional\nfor calculating the lattice dynamics of semiconductors","volume":"80","author":"Hummer","year":"2009","journal-title":"Phys. Rev. B"},{"issue":"10","key":"2026081909070944100_cit52","doi-asserted-by":"publisher","first-page":"647","DOI":"10.1002\/qua.24837","article-title":"Honpas: A\nlinear scaling open-source solution for large system simulations","volume":"115","author":"Qin","year":"2015","journal-title":"Int. J. Quantum Chem."},{"issue":"3","key":"2026081909070944100_cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.3610379","article-title":"Implementation\nof screened hybrid density functional\nfor periodic systems with numerical atomic orbitals: Basis function\nfitting and integral screening","volume":"135","author":"Shang","year":"2011","journal-title":"J. Chem. Phys."},{"issue":"18","key":"2026081909070944100_cit54","doi-asserted-by":"publisher","first-page":"8278","DOI":"10.1021\/jacs.2c02178","article-title":"Unveiling the multiradical character of the biphenylene network and\nits anisotropic charge transport","volume":"144","author":"Alco\u0301n","year":"2022","journal-title":"J. Am. Chem.\nSoc."}],"container-title":["ACS Nanoscience Au"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsnanoscienceau.5c00157","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/anaccx\/article-pdf\/6\/4\/558\/66259148\/acsnanoscienceau.5c00157.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/anaccx\/article-pdf\/6\/4\/558\/66259148\/acsnanoscienceau.5c00157.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,19]],"date-time":"2026-08-19T13:24:43Z","timestamp":1787145883000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/anaccx\/article\/6\/4\/558\/5232632\/Semiconducting-Nanotubes-Derived-from-a"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,4]]},"references-count":54,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2026,6,4]]},"published-print":{"date-parts":[[2026,8,19]]}},"URL":"https:\/\/doi.org\/10.1021\/acsnanoscienceau.5c00157","relation":{},"ISSN":["2694-2496"],"issn-type":[{"value":"2694-2496","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,4]]}}}