由Net-C和Net-W片衍生的新型碳纳米管：第一性原理研究

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications Pub Date : 2025-04-12 DOI:10.1016/j.ssc.2025.115953

Roya Majidi , Ali Mohammadi , Ahmad I. Ayesh

{"title":"由Net-C和Net-W片衍生的新型碳纳米管：第一性原理研究","authors":"Roya Majidi , Ali Mohammadi , Ahmad I. Ayesh","doi":"10.1016/j.ssc.2025.115953","DOIUrl":null,"url":null,"abstract":"<div><div>This study introduces a new class of carbon nanotubes derived from net-C and net-W sheets. By rolling these sheets into cylinders, we obtained net-C and net-W nanotubes with two configurations named (<em>n</em>,0) and (0,<em>n</em>). First-principles calculations are employed to explore the structural, electronic, and optical properties of these nanotubes. Our results demonstrate that net nanotubes exhibit excellent structural and thermal stability at room temperature. All examined nanotubes show metallic behavior, regardless of their size and chirality. The high dielectric constants of these nanotubes, which increase with tube diameter, suggest potential for enhanced energy storage applications. Moreover, net nanotubes exhibit strong light absorption across a wide spectral range, from infrared to ultraviolet, and they show high transparency. The metallic conductivity, tunable dielectric constant, and broadband light absorption of net nanotubes make them particularly attractive candidates for future technological advancements.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115953"},"PeriodicalIF":2.1000,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Novel carbon nanotubes derived from Net-C and Net-W sheets: A first-principles study\",\"authors\":\"Roya Majidi , Ali Mohammadi , Ahmad I. Ayesh\",\"doi\":\"10.1016/j.ssc.2025.115953\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>This study introduces a new class of carbon nanotubes derived from net-C and net-W sheets. By rolling these sheets into cylinders, we obtained net-C and net-W nanotubes with two configurations named (<em>n</em>,0) and (0,<em>n</em>). First-principles calculations are employed to explore the structural, electronic, and optical properties of these nanotubes. Our results demonstrate that net nanotubes exhibit excellent structural and thermal stability at room temperature. All examined nanotubes show metallic behavior, regardless of their size and chirality. The high dielectric constants of these nanotubes, which increase with tube diameter, suggest potential for enhanced energy storage applications. Moreover, net nanotubes exhibit strong light absorption across a wide spectral range, from infrared to ultraviolet, and they show high transparency. The metallic conductivity, tunable dielectric constant, and broadband light absorption of net nanotubes make them particularly attractive candidates for future technological advancements.</div></div>\",\"PeriodicalId\":430,\"journal\":{\"name\":\"Solid State Communications\",\"volume\":\"402 \",\"pages\":\"Article 115953\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-04-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Solid State Communications\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0038109825001280\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHYSICS, CONDENSED MATTER\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid State Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0038109825001280","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}

引用次数: 0

摘要

本研究介绍了一类由net-C和net-W片衍生的新型碳纳米管。通过将这些薄片卷成圆柱体，我们得到了net-C和net-W纳米管，它们具有（n,0）和（0,n）两种结构。采用第一性原理计算来探索这些纳米管的结构、电子和光学性质。我们的研究结果表明，净纳米管在室温下具有良好的结构和热稳定性。所有被检测的纳米管，无论大小和手性如何，都显示出金属的行为。这些纳米管的高介电常数随着管直径的增加而增加，这表明它们具有增强储能应用的潜力。此外，净纳米管在从红外到紫外的宽光谱范围内表现出强的光吸收，并表现出高透明度。纳米管的金属导电性、可调谐的介电常数和宽带光吸收使它们成为未来技术进步的特别有吸引力的候选者。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Novel carbon nanotubes derived from Net-C and Net-W sheets: A first-principles study

This study introduces a new class of carbon nanotubes derived from net-C and net-W sheets. By rolling these sheets into cylinders, we obtained net-C and net-W nanotubes with two configurations named (n,0) and (0,n). First-principles calculations are employed to explore the structural, electronic, and optical properties of these nanotubes. Our results demonstrate that net nanotubes exhibit excellent structural and thermal stability at room temperature. All examined nanotubes show metallic behavior, regardless of their size and chirality. The high dielectric constants of these nanotubes, which increase with tube diameter, suggest potential for enhanced energy storage applications. Moreover, net nanotubes exhibit strong light absorption across a wide spectral range, from infrared to ultraviolet, and they show high transparency. The metallic conductivity, tunable dielectric constant, and broadband light absorption of net nanotubes make them particularly attractive candidates for future technological advancements.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Solid State Communications 物理-物理：凝聚态物理

CiteScore

3.40

自引率

4.80%

发文量

287

审稿时长

51 days

期刊介绍： Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged. A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions. The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.