Phase transition, formation and fragmentation of fullerenes

Hussien, Adilah; Yakubovich, Alexander V.; Solov’yov, Andrey V.; Greiner, Walter

doi:10.1140/epjd/e2010-00026-7

Cited by 13 publications

(12 citation statements)

References 43 publications

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“…For the C 60 fullerene, the additional broadening of the spectra should be of the similar order of magnitude, therefore possible thermal effects due to the operational temperature of 500 • C should not influence significantly the energy loss spectra. The multifragmentation process does not play a role at this temperature, since the multifragmentation of C 60 in C 2 dimers or other small carbon fragments occurs at significantly higher temperatures, being above 3000 K [39].…”

mentioning

confidence: 94%

Interplay of the volume and surface plasmons in the electron energy loss spectra of C₆₀

Verkhovtsev

Korol

Solov’yov

et al. 2012

J. Phys. B: At. Mol. Opt. Phys.

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Abstract. The results of a joint experimental and theoretical investigation of the C 60 collective excitations in the process of inelastic scattering of electrons are presented. The shape of the electron energy loss spectrum is observed to vary when the scattering angle increases. This variation arising due to the electron diffraction of the fullerene shell is described by a new theoretical model which treats the fullerene as a spherical shell of a finite width and accounts for the two modes of the surface plasmon and for the volume plasmon as well. It is shown that at small angles the inelastic scattering cross section is determined mostly by the symmetric mode of the surface plasmon, while at larger angles the contributions of the antisymmetric surface plasmon and the volume plasmon become prominent.

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mentioning

confidence: 94%

Interplay of the volume and surface plasmons in the electron energy loss spectra of C₆₀

Verkhovtsev

Korol

Solov’yov

et al. 2012

J. Phys. B: At. Mol. Opt. Phys.

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“…17,18,20 In the present work, by detailed estimation for the size distributions of primary intermediate-mass IFs in the C 60 multifragmentation regime, it has been found that the size distributions obey power laws n −τ . Furthermore, the exponent τ values have sensitive dependence on lower energy and converge to a constant for larger energies.…”

Section: Discussionmentioning

confidence: 53%

“…Actually, the C 60 fragmentation has been frequently discussed in terms of equilibrium statistical mechanics, and of its possible association with a phase transition. [17][18][19][20][21] Specifically, Campbell et al 17 and Hussien et al 20 presented two completely different theoretical models treating the C 60 fragmentation as a phase transition and predicted that the critical point occurs at almost constant temperature covering a wide excitation energy region. Subsequently, our group 18 experimentally investigated the relation between the temperature and the excitation energy (caloric curve) of a fragmenting C 60 system.…”

Section: Introductionmentioning

confidence: 99%

New insight into power-law behavior of fragment size distributions in the C60 multifragmentation regime

Qian

Chen

et al. 2014

The Journal of Chemical Physics

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Previous experimental work has shown that a phase transition in C60 multifragmentation induced by nanosecond laser occurs at almost constant temperature covering a wide range of laser fluency. Here the relative yields of ionic fragments (IFs) C(n)(+) (n = 1-20) resulting from the multifragmentation are measured within the phase transition region. By excluding two small IFs and magic IFs due to their abnormal behavior, the data for residual IFs are used to estimate the size distributions of primary intermediate-mass IFs in the multifragmentation regime. The distributions are found to obey power laws n(-τ). Furthermore, the exponent τ values have sensitive dependence on lower laser fluency and converge to a constant of about 2.4 ± 0.2 for larger fluencies. These observations are in good agreement with an explanation based on the Fisher droplet model, offering the tantalizing possibility of a liquid-to-gas phase transition in C60 systems.

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“…Note that similar simulations performed at different fullerene temperatures suggest that C 60 resembles its intact cagelike structure up to T ≈ 2300 K. At higher temperatures, a transition, which is usually considered as the fullerene melting takes place. It corresponds to an opening of the fullerene cage and the formation of a highly-distorted but still non-fragmented structure [63,64].…”

Section: Resultsmentioning

confidence: 99%

Classical molecular dynamics simulations of fusion and fragmentation in fullerene-fullerene collisions

2017

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We present the results of classical molecular dynamics simulations of collision-induced fusion and fragmentation of C60 fullerenes, performed by means of the MBN Explorer software package. The simulations provide information on structural differences of the fused compound depending on kinematics of the collision process. The analysis of fragmentation dynamics at different initial conditions shows that the size distributions of produced molecular fragments are peaked for dimers, which is in agreement with a well-established mechanism of C60 fragmentation via preferential C2 emission. Atomic trajectories of the colliding particles are analyzed and different fragmentation patterns are observed and discussed. On the basis of the performed simulations, characteristic time of C2 emission is estimated as a function of collision energy. The results are compared with experimental time-of-flight distributions of molecular fragments and with earlier theoretical studies. Considering the widely explored case study of C60-C60 collisions, we demonstrate broad capabilities of the MBN Explorer software, which can be utilized for studying collisions of a broad variety of nanoscale and biomolecular systems by means of classical molecular dynamics.

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Phase transition, formation and fragmentation of fullerenes

Cited by 13 publications

References 43 publications

Interplay of the volume and surface plasmons in the electron energy loss spectra of C₆₀

Interplay of the volume and surface plasmons in the electron energy loss spectra of C₆₀

New insight into power-law behavior of fragment size distributions in the C60 multifragmentation regime

Classical molecular dynamics simulations of fusion and fragmentation in fullerene-fullerene collisions

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Phase transition, formation and fragmentation of fullerenes

Cited by 13 publications

References 43 publications

Interplay of the volume and surface plasmons in the electron energy loss spectra of C60

Interplay of the volume and surface plasmons in the electron energy loss spectra of C60

New insight into power-law behavior of fragment size distributions in the C60 multifragmentation regime

Classical molecular dynamics simulations of fusion and fragmentation in fullerene-fullerene collisions

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Interplay of the volume and surface plasmons in the electron energy loss spectra of C₆₀

Interplay of the volume and surface plasmons in the electron energy loss spectra of C₆₀