文献检索文档翻译深度研究
Suppr Zotero 插件Zotero 插件
邀请有礼套餐&价格历史记录

新学期,新优惠

限时优惠:9月1日-9月22日

30天高级会员仅需29元

1天体验卡首发特惠仅需5.99元

了解详情
不再提醒
插件&应用
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
高级版
套餐订阅购买积分包
AI 工具
文献检索文档翻译深度研究
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2025

sp(3) 纳米线的系统枚举。

Systematic Enumeration of sp(3) Nanothreads.

机构信息

†Department of Physics, ‡Department of Materials Science and Engineering, §Department of Chemistry, and ∥Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802, United States.

出版信息

Nano Lett. 2015 Aug 12;15(8):5124-30. doi: 10.1021/acs.nanolett.5b01343. Epub 2015 Aug 3.


DOI:10.1021/acs.nanolett.5b01343
PMID:26207926
Abstract

Slow decompression of crystalline benzene in large-volume high-pressure cells has recently achieved synthesis of a novel one-dimensional allotrope of sp(3) carbon in which stacked columns of benzene molecules rehybridize into an ordered crystal of nanothreads. The progenitor benzene molecules function as six-valent one-dimensional superatoms with multiple binding sites. Here we enumerate their hexavalent bonding geometries, recognizing that the repeat unit of interatomic connectivity ("topological unit cell") need not coincide with the crystallographic unit cell, and identify the most energetically favorable cases. A topological unit cell of one or two benzene rings with at least two bonds interconnecting each adjacent pair of rings, accommodates 50 topologically distinct nanothreads, 15 of which are within 80 meV/carbon atom of the most stable member. Optimization of aperiodic helicity reveals the most stable structures to be chiral. We generalize Euler's rules for ring counting to cover this new form of very thin one-dimensional carbon, calculated their physical properties, and propose a naming convention that can be generalized to handle nanothreads formed from other progenitor molecules.

摘要

最近,通过在大容量高压釜中缓慢减压,成功合成了一种新型的 sp(3) 碳一维同素异形体,其中堆积的苯分子柱重新杂化成有序的纳米线晶体。前体苯分子作为具有多个结合位点的六价一维超原子发挥作用。在这里,我们列举了它们的六价键合几何形状,认识到原子间连接的重复单元(“拓扑单元胞”)不一定与晶胞重合,并确定了最有利的情况。一个或两个苯环的拓扑单元胞,至少有两个键将每个相邻的环连接起来,可以容纳 50 个拓扑上不同的纳米线,其中 15 个与最稳定成员的距离在 80 meV/碳原子以内。非周期性螺旋的优化揭示了最稳定的结构是手性的。我们将环计数的欧拉规则推广到覆盖这种非常薄的一维碳的新形式,计算了它们的物理性质,并提出了一种命名惯例,可以推广到处理由其他前体分子形成的纳米线。

相似文献

[1]
Systematic Enumeration of sp(3) Nanothreads.

Nano Lett. 2015-8-3

[2]
Constraining Carbon Nanothread Structures by Experimental and Calculated Nuclear Magnetic Resonance Spectra.

Nano Lett. 2018-7-16

[3]
Theory of Borazine-Derived Nanothreads: Enumeration, Reaction Pathways, and Piezoelectricity.

ACS Nano. 2022-10-25

[4]
The Chemical Structure of Carbon Nanothreads Analyzed by Advanced Solid-State NMR.

J Am Chem Soc. 2018-6-8

[5]
Scalable Synthesis of Crystalline One-Dimensional Carbon Nanothreads through Modest-Pressure Polymerization of Furan.

ACS Nano. 2021-3-23

[6]
Carbon Nitride Nanothread Crystals Derived from Pyridine.

J Am Chem Soc. 2018-4-9

[7]
Local Structure and Bonding of Carbon Nanothreads Probed by High-Resolution Transmission Electron Microscopy.

J Am Chem Soc. 2019-5-1

[8]
Mechanochemical Synthesis of Carbon Nanothread Single Crystals.

J Am Chem Soc. 2017-11-1

[9]
First-principles study of carbon nanothreads derived from five-membered heterocyclic rings: thiophene, furan and pyrrole.

Phys Chem Chem Phys. 2021-1-28

[10]
Benzene-derived carbon nanothreads.

Nat Mater. 2014-9-21

引用本文的文献

[1]
Insights on the Bonding Mechanism, Electronic and Optical Properties of Diamond Nanothread-Polymer and Cement-Boron Nitride Nanotube Composites.

Molecules. 2024-10-3

[2]
Crystalline CNH tube (3,0) nanothreads.

Proc Natl Acad Sci U S A. 2022-4-26

[3]
Vibration Control of Diamond Nanothreads by Lattice Defect Introduction for Application in Nanomechanical Sensors.

Nanomaterials (Basel). 2021-8-30

[4]
'Sacrificial' supramolecular assembly and pressure-induced polymerization: toward sequence-defined functionalized nanothreads.

Chem Sci. 2020-9-3

[5]
Hierarchically Structured Allotropes of Phosphorus from Data-Driven Exploration.

Angew Chem Int Ed Engl. 2020-9-7

[6]
High density mechanical energy storage with carbon nanothread bundle.

Nat Commun. 2020-4-20

[7]
One-dimensional diamondoid polyaniline-like nanothreads from compressed crystal aniline.

Chem Sci. 2017-10-18

[8]
The best features of diamond nanothread for nanofibre applications.

Nat Commun. 2017-3-17

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

推荐工具

医学文档翻译智能文献检索