One-dimensional diamondoid polyaniline-like nanothreads from compressed crystal aniline

Nobrega, Marcelo M.; Teixeira‐Neto, Érico; Cairns, Andrew B.; Temperini, Márcia L. A.; Bini, Roberto

doi:10.1039/c7sc03445h

Cited by 76 publications

(116 citation statements)

References 33 publications

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“…They offer an exciting opportunity to overcome the limitations of CNT fibres and can be fabricated with consistency into high strength carbon nanothread bundles. It has a fully hydrogenated surface that allows for the introduction of interfacial covalent bonds between carbon nanothreads 23 , while retaining the thread-like morphology and their excellent mechanical properties 24 . Its non-smooth surface can trigger strong mechanical interlocking effect between carbon nanothreads 25 , or with a polymer matrix 26 .…”

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High density mechanical energy storage with carbon nanothread bundle

et al. 2020

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The excellent mechanical properties of carbon nanofibers bring promise for energy-related applications. Through in silico studies and continuum elasticity theory, here we show that the ultra-thin carbon nanothreads-based bundles exhibit a high mechanical energy storage density. Specifically, the gravimetric energy density is found to decrease with the number of filaments, with torsion and tension as the two dominant contributors. Due to the coupled stresses, the nanothread bundle experiences fracture before reaching the elastic limit of any individual deformation mode. Our results show that nanothread bundles have similar mechanical energy storage capacity compared to (10,10) carbon nanotube bundles, but possess their own advantages. For instance, the structure of the nanothread allows us to realize the full mechanical energy storage potential of its bundle structure through pure tension, with a gravimetric energy density of up to 1.76 MJ kg −1 , which makes them appealing alternative building blocks for energy storage devices.

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High density mechanical energy storage with carbon nanothread bundle

et al. 2020

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“…At 30 GPa, 550 K, aniline was found to react gradually and continue to occur during the downstroke. In combination with TEM and density functional theory (DFT), it was found that the product is a NH 2 -enriched carbon nanothreads with diamond-like structure [109]. When reducing pressure to 10-20 GPa before heating, a different hydrogenated graphitic carbon nitride was generated [110].…”

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“…(a) The crystal structure of C6D6-C6F6 before reaction (20 GPa)[109]. (b) Scanning electron microscope (SEM) images, (c) transmission electron microscope (TEM) images, (d)13 C crosspolarization magic-angle-spinning solid state NMR (CPMAS ssNMR) spectrum and (e) the synchrotron X-ray with neutron PDF data of C6H6-C6F6 recovered from 20 GPa[109]. (f) IR absorption spectrum of starting material (black), C6H6-C6F6 cocrystal recovered from 17 GPa (orange), 18 GPa (purple), 20 GPa (red), and the calculated IR spectrum of the H-F graphane model[109].…”

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From Molecules to Carbon Materials—High Pressure Induced Polymerization and Bonding Mechanisms of Unsaturated Compounds

Yang

Wang

et al. 2019

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With the development of high-pressure apparatus, in situ characterization methods and theoretical calculations, high-pressure technology becomes a more and more important method to synthesize new compounds with unusual structures and properties. By compressing compounds containing unsaturated carbon atoms, novel poly-ionic polymers, graphanes and carbon nanothreads were obtained. Their compositions and structures were carefully studied by combining multiple cutting-edge technologies, like the in situ high-pressure X-ray and neutron diffraction, transmission electron microscopy, pair distribution function, solid-state nuclear magnetic resonance and gas chromatography-mass spectroscopy. The reaction mechanisms were investigated based on the crystal structure at the reaction threshold pressure (the pressure just before the reaction taking place), the long-range and short-range structure of the product, molecular structure of the intermediates, as well as the theoretical calculation. In this review, we will summarize the synthesis of carbon materials by compressing the unsaturated compounds and its reaction characteristics under extreme conditions. The topochemical reaction mechanism and related characterization methods of the molecular system will be highlighted. This review will provide a reference for designing chemical reaction and exploring novel carbon materials under high-pressure condition.

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“…[1] However,their types are very limited compared to the diversity of the carbon-based molecules.A pplying extreme pressure to unsaturated molecules,such as aromatics, is proven to be effective in constructing sp 3 -hybridized carbon materials. [2] It is well known that benzene polymerizes into amorphous hydrogenated carbon under high pressure, [3] and with anisotropic stress,awell-ordered single-crystal carbon nanothread was reported, which is recognized as an ultra-thin sp 3 -carbon nanowire. [2a,b] Similarly,s ingle-crystal carbon nitride was synthesized by compressing pyridine slowly.…”

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Pressure‐Induced Diels–Alder Reactions in C₆H₆‐C₆F₆ Cocrystal towards Graphane Structure

et al. 2019

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Pressure-induced polymerization (PIP) of aromatics is anovel method for constructing sp 3 -carbon frameworks, and nanothreads with diamond-like structures were synthesized by compressing benzene and its derivatives.H ere by compressing abenzene-hexafluorobenzene cocrystal (CHCF), H-F-substituted graphane with al ayered structure in the PIP product was identified. Based on the crystal structure determined from the in situ neutron diffraction and the intermediate products identified by gas chromatography-mass spectrum, we found that at 20 GPaCHCF forms tilted columns with benzene and hexafluorobenzene stackeda lternatively,a nd leads to a[4+ +2] polymer,which then transforms to short-range ordered H-F-substituted graphane.The reaction process involves [4+ +2] Diels-Alder,r etro-Diels-Alder,a nd 1-1' coupling reactions, and the former is the key reaction in the PIP.T hese studies confirm the elemental reactions of PIP of CHCF for the first time,and provide insight into the PIP of aromatics.Supportinginformation and the ORCID identification number(s) for the author(s) of this article can be found under: https://doi.

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One-dimensional diamondoid polyaniline-like nanothreads from compressed crystal aniline

Abstract: One-dimensional diamondoid polyaniline-like nanothreads combine the outstanding mechanical properties of carbon nanotubes with the versatility of NH2 groups.

Cited by 76 publications

References 33 publications

High density mechanical energy storage with carbon nanothread bundle

High density mechanical energy storage with carbon nanothread bundle

From Molecules to Carbon Materials—High Pressure Induced Polymerization and Bonding Mechanisms of Unsaturated Compounds

Pressure‐Induced Diels–Alder Reactions in C₆H₆‐C₆F₆ Cocrystal towards Graphane Structure

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One-dimensional diamondoid polyaniline-like nanothreads from compressed crystal aniline

Abstract: One-dimensional diamondoid polyaniline-like nanothreads combine the outstanding mechanical properties of carbon nanotubes with the versatility of NH2 groups.

Cited by 76 publications

References 33 publications

High density mechanical energy storage with carbon nanothread bundle

High density mechanical energy storage with carbon nanothread bundle

From Molecules to Carbon Materials—High Pressure Induced Polymerization and Bonding Mechanisms of Unsaturated Compounds

Pressure‐Induced Diels–Alder Reactions in C6H6‐C6F6 Cocrystal towards Graphane Structure

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Pressure‐Induced Diels–Alder Reactions in C₆H₆‐C₆F₆ Cocrystal towards Graphane Structure