The Kvataron Model of Fullerene Formation

Askhabov, A. M.

doi:10.1134/1.1946878

Cited by 8 publications

(6 citation statements)

References 12 publications

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“…Hypothetical models of fullerene and carbon nanotube formation mechanism are abundant in the literature and often are only small variations of previously proposed ones. The most basic and prominent models for fullerene formation mechanisms are, in chronological order, the “nautilus model” , and its close relative, the “accreting snowball model”, the “pentagon road”, ,, the “fullerene road”, the “party line” mechanism of fullerene formation, the “ring-stacking” mechanism, , the very popular “ring fusion spiral zipper” mechanism, ,,− and recently the Kvataron model . One hypothesis even suggested that fullerenes are created by fragmentation of CNTs .…”

Section: Hypothetical Models Of Fullerene Formation: the Puzzle Rema...mentioning

confidence: 99%

“…The most basic and prominent models for fullerene formation mechanisms are, in chronological order, the "nautilus model" 12,90 and its close relative, the "accreting snowball model", 20 the "pentagon road", 15,28,91 the "fullerene road", 92 the "party line" mechanism of fullerene formation, 83 the "ring-stacking" mechanism, 93,94 the very popular "ring fusion spiral zipper" mechanism, 71,72,[95][96][97] and recently the Kvataron model. 98 One hypothesis even suggested that fullerenes are created by fragmentation of CNTs. 99 Reviews of refs 100 and 101 give an overview of the earlier proposed formation mechanisms.…”

Section: Hypothetical Models Of Fullerene Formation: the Puzzle Remai...mentioning

confidence: 99%

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The C₆₀ Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

et al. 2006

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The dynamic self-assembly mechanism of fullerene molecules is an irreversible process emerging naturally under the nonequilibrium conditions of hot carbon vapor and is a consequence of the interplay between the dynamics and chemistry of polyyne chains, pi-conjugation and corresponding stabilization, and the dynamics of hot giant fullerene cages. In this feature article we briefly present an overview of experimental findings and past attempts to explain fullerene formation and show in detail how our recent quantum chemical molecular dynamics simulations of the dynamics of carbon vapor far from thermodynamic equilibrium have assisted in the discovery of the combined size-up/size-down "shrinking hot giant" road that leads to the formation of buckminsterfullerene C60, C70, and larger fullerenes. This formation mechanism is the first reported case of order created out of chaos where a distinct covalent bond network of an entire molecule is spontaneously self-assembled to a highly symmetric structure and fully explains the fullerene formation process consistently with all available experimental observations a priori. Experimental evidence suggests that it applies universally to all fullerene formation processes irrespective of the carbon source.

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Section: Hypothetical Models Of Fullerene Formation: the Puzzle Rema...mentioning

confidence: 99%

Section: Hypothetical Models Of Fullerene Formation: the Puzzle Remai...mentioning

confidence: 99%

The C₆₀ Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

et al. 2006

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“…Later on, it was suggested that fullerenes originate from a nanoscale intermediate phase (or hidden phase) [ 36 ]. Non-equilibrium circumstances lead to the formation of clusters of this intermediate phase, which was named kvataron.…”

Section: The Methods Of Synthesis Of Fullerenesmentioning

confidence: 99%

Functionalized Fullerenes and Their Applications in Electrochemistry, Solar Cells, and Nanoelectronics

et al. 2023

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Carbon-based nanomaterials have rapidly advanced over the last few decades. Fullerenes, carbon nanotubes, graphene and its derivatives, graphene oxide, nanodiamonds, and carbon-based quantum dots have been developed and intensively studied. Among them, fullerenes have attracted increasing research attention due to their unique chemical and physical properties, which have great potential in a wide range of applications. In this article, we offer a comprehensive review of recent progress in the synthesis and the chemical and physical properties of fullerenes and related composites. The review begins with the introduction of various methods for the synthesis of functionalized fullerenes. A discussion then follows on their chemical and physical properties. Thereafter, various intriguing applications, such as using carbon nanotubes as nanoreactors for fullerene chemical reactions, are highlighted. Finally, this review concludes with a summary of future research, major challenges to be met, and possible solutions.

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“…Later, Askhabov proposed that fullerenes emerge from an intermediate phase (or hidden phase) existing at the nanoscale level . Askhabov proposed that clusters of this intermediate phase, which he called quatarons, arise under non‐equilibrium conditions.…”

Section: Models To Explain the Formation Of Fullerenesmentioning

confidence: 99%

Synthesis of fullerenes

Mojica

Alonso

Méndez

2013

J. Phys. Org. Chem.

115

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We present a review of the methods most frequently used for the synthesis of fullerenes and the changes that these methods have experienced since 1985 when Kroto and co-workers discovered C 60 . We also analyze the most important models that explain the mechanism of the formation of fullerenes in carbon soot, as well as the new methodologies that lead to the rational chemical synthesis of fullerenes and of fullerene fragments as precursors.

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The Kvataron Model of Fullerene Formation

Cited by 8 publications

References 12 publications

The C₆₀ Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

The C₆₀ Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

Functionalized Fullerenes and Their Applications in Electrochemistry, Solar Cells, and Nanoelectronics

Synthesis of fullerenes

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The Kvataron Model of Fullerene Formation

Cited by 8 publications

References 12 publications

The C60 Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

The C60 Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

Functionalized Fullerenes and Their Applications in Electrochemistry, Solar Cells, and Nanoelectronics

Synthesis of fullerenes

Contact Info

Product

Resources

About

The C₆₀ Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

The C₆₀ Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism