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非谐效应控制着限制在碳纳米管中的卡宾的相互作用,塑造了它们的振动特性。

Anharmonic effects control interaction of carbyne confined in carbon nanotubes shaping their vibrational properties.

作者信息

Parth Emil, Corradini Andrea, Cui Weili, Romanin Davide, Schuster Christin, Freytag Clara, Shi Lei, Yanagi Kazuhiro, Calandra Matteo, Pichler Thomas

机构信息

Faculty of Physics, University of Vienna, Bolzmanngasse 5, Vienna, 1090, Austria.

Department of Physics, University of Trento, Via Sommarive 14, Povo, Trento, 38123 TN, Italy.

出版信息

Nat Commun. 2025 May 26;16(1):4797. doi: 10.1038/s41467-025-59863-3.

DOI:10.1038/s41467-025-59863-3
PMID:40419475
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12106606/
Abstract

The resonant Raman response is due to electronic and vibrational excitations. Confined carbyne is a novel one dimensional heterostructure consisting of the linear carbon chain and a hosting carbon nanotube in the bulk limit. The resonant Raman fingerprint of confined carbyne comes concomitant with several new features which can neither be assigned to the hosting tube, nor to the linear carbon chain. This identifies the tube-chain system as a true hybrid structure in which the spectrum is usually driven by modifications in the electronic excitations via charge transfer. We show that the electronic structure results from those of the two isolated systems and the spectral modifications are solely due to the anharmonic interactions between the tube and the chain. Our work establishes confined carbyne as the ideal test system to probe anharmonicity in one dimension and its implications on the resonant Raman response.

摘要

共振拉曼响应源于电子和振动激发。受限卡宾是一种新型的一维异质结构,在体极限下由线性碳链和主体碳纳米管组成。受限卡宾的共振拉曼指纹伴随着几个新特征,这些特征既不能归因于主体管,也不能归因于线性碳链。这表明管链系统是一种真正的混合结构,其光谱通常由电荷转移引起的电子激发变化所驱动。我们表明,电子结构源于两个孤立系统的结构,光谱变化完全是由于管和链之间的非谐相互作用。我们的工作将受限卡宾确立为探测一维非谐性及其对共振拉曼响应影响的理想测试系统。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/e39365e86717/41467_2025_59863_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/417eaca6fee1/41467_2025_59863_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/36f6717c3dac/41467_2025_59863_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/c7b20a25c91f/41467_2025_59863_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/dd19eb561ea6/41467_2025_59863_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/9d211836fdba/41467_2025_59863_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/e39365e86717/41467_2025_59863_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/417eaca6fee1/41467_2025_59863_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/36f6717c3dac/41467_2025_59863_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/c7b20a25c91f/41467_2025_59863_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/dd19eb561ea6/41467_2025_59863_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/9d211836fdba/41467_2025_59863_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ec/12106606/e39365e86717/41467_2025_59863_Fig6_HTML.jpg

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本文引用的文献

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Universal vibrational anharmonicity in carbyne-like materials.类卡宾材料中的普遍振动非谐性。
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2
Low-Temperature Synthesis of Weakly Confined Carbyne Inside Single-Walled Carbon Nanotubes.单壁碳纳米管内弱受限卡宾的低温合成
ACS Nano. 2025 Apr 8;19(13):12996-13006. doi: 10.1021/acsnano.4c17104. Epub 2025 Mar 25.
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Dominant Role of Quantum Anharmonicity in the Stability and Optical Properties of Infinite Linear Acetylenic Carbon Chains.量子非谐性在无限线性乙炔碳链的稳定性和光学性质中的主导作用
J Phys Chem Lett. 2021 Oct 28;12(42):10339-10345. doi: 10.1021/acs.jpclett.1c02964. Epub 2021 Oct 19.
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Anti-Stokes Raman Scattering of Single Carbyne Chains.单卡宾链的反斯托克斯拉曼散射
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The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects.随机自洽谐波近似:计算具有完全量子和非谐效应的材料的振动特性。
J Phys Condens Matter. 2021 Jul 13;33(36). doi: 10.1088/1361-648X/ac066b.
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Raman Scattering Cross Section of Confined Carbyne.受限碳炔的拉曼散射截面。
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