Computer Simulation of Coulomb Explosions in Doubly Charged Xe Microclusters

Gay, J. G.; Berne, B. J.

doi:10.1103/physrevlett.49.194

Cited by 94 publications

(51 citation statements)

References 4 publications

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“…11 Apart from earlier studies of triply charged CO2 and NH3 clusters, 1,8 neither of which included any size-dependent data, there have been no recorded examples of the delayed Coulomb fission of multiply charged molecular clusters. For doubly charged clusters, the failure to observe Coulomb fission has been attributed to a presence of compression modes, 1,14 which when excited by Coulomb repulsion can dissipate large amounts of energy from a cluster via monomer evaporation. A previous study of the collision-induced fragmentation of triply charged benzene clusters showed that excitation promoted charge separation, which was accompanied by extensive neutral molecule loss .…”

Section: Introductionmentioning

confidence: 99%

Coulomb fission in multiply charged molecular clusters: Experiment and theory

Harris

Baptiste

Lindgren

et al. 2017

The Journal of Chemical Physics

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A series of three multiply charged molecular clusters, (C6H6)n z+ (benzene), (CH3CN)n z+ (acetonitrile), and (C4H8O)n z+ (tetrahydrofuran), where the charge z is either 3 or 4, have been studied for the purpose of identifying patterns of behaviour close to the charge instability limit.Experiments show that on a time scale of ~10 -4 s, ions close to the limit undergo Coulomb fission where all of the observed pathways exhibit considerable asymmetry in the sizes of the charged fragments, and are associated with kinetic (ejection) energies of between 1.4 and 2.2 eV. Accurate kinetic energies have been determined through a computer simulation of peak profiles recorded in the experiments and the results modelled using a theory formulated to describe how charged particles of dielectric materials interact with one another (Bichoutskaia et al. J. Chem. Phys. 2010, 133, 024105). The calculated electrostatic interaction energy between separating fragments gives an accurate account for the measured kinetic energies and also supports the conclusion that +4 ions fragment into +3 and +1 products as opposed to the alternative of two +2 fragments. This close match between theory and experiment supports the assumption that a significant fraction of excess charge resides on the surfaces of the fragment ions. It is proposed that the high degree of asymmetry seen in the fragmentation patterns of the multiply charged clusters is due, in part, to limits imposed by the time window during which observations are made.2

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Section: Introductionmentioning

confidence: 99%

Coulomb fission in multiply charged molecular clusters: Experiment and theory

Harris

Baptiste

Lindgren

et al. 2017

The Journal of Chemical Physics

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“…16,17 In the TOF measurement, it was assumed that the cluster ion had a single charge, and multiply charged cluster ions might be dissociated because of the Coulomb repulsion force. 18,19 The accelerated ions were deflected by a pulsed negative voltage. When the pulsed voltage was applied, the ions drifted toward a Faraday cup.…”

Section: Methodsmentioning

confidence: 99%

Size analysis of water cluster ions and their irradiation effects on solid surfaces

Takaoka

Nakayama

Noguchi

et al. 2006

Surface & Interface Analysis

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This article reports the development of a liquid cluster ion source. When water vapor was injected through a nozzle into a high-vacuum region, water clusters were produced at vapor pressures greater than 1 atm. The size of the water cluster ions was measured by the time-of-flight (TOF) method, and it was distributed between a few hundreds and a few tens of thousands of molecules. The intensity of the water cluster ions increased with increase of the vapor pressure, and the peak size was about 2500 molecules per cluster. The effects of irradiation by water cluster ions on solid surfaces such as Si(100) and SiO 2 surfaces were investigated. The sputtered depth of the Si and SiO 2 surfaces increased with increase of the acceleration voltage, and the SiO 2 surfaces were sputtered more than the Si surfaces. The sputtering yields at an acceleration voltage of 9 kV were 17.8 atoms per ion for Si and 17.1 molecules per ion for SiO 2 , which were approximately ten times larger than that for Ar monomer ion irradiation. Rutherford backscattering spectroscopy (RBS) measurement showed that the number of displacement atoms for irradiation by water cluster ions on the Si surfaces at ion doses larger than 1 × 10 15 ions/cm 2 was less than that for Ar monomer ion irradiation at the same acceleration voltage. In addition, the ellipsometry and X-ray photoelectron spectroscopy (XPS) measurements showed that the thickness of the oxide layer formed on the Si surface increased with increase of the acceleration voltage, and it was between 10 nm and 15 nm at an acceleration voltage of 9 kV.

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“…In the work of Gay and Berne [14] the coulomb explosion of doubly charged xenon clusters is studied while Soler et al [15] investigated the stepwise decay of a large singly charged cluster as a function of time.…”

Section: Introductionmentioning

confidence: 99%

“…Some information concerning the stability of rare gas clusters has already been supplied by computer simulations [11][12][13][14][15] but most of these calculations were performed with neutral clusters which were then Reprint requests to Prof. Dr. J. Brickmann, Institut für Physikalische Chemie, Technische Hochschule Darmstadt. Petersenstr.…”

Section: Introductionmentioning

confidence: 99%

The Stability of Rare Gas Clusters by Ionization

Polymeropoulos

Löffler

Brickmann

1985

Zeitschrift Für Naturforschung A

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Computer simulations of the dissociation dynamics of argon and xenon neutral and singly charged clusters with 5 -20 atoms were performed. It is shown that the stability of clusters with 'magic numbers' of atoms (« = 19 for argon, and n = 13,19 for xenon) as found in TOF mass spectra, is more enhanced by ionization than that of their neighbours, indicating the importance of the ionization for the cluster size distribution found in experiments.

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Computer Simulation of Coulomb Explosions in Doubly Charged Xe Microclusters

Cited by 94 publications

References 4 publications

Coulomb fission in multiply charged molecular clusters: Experiment and theory

Coulomb fission in multiply charged molecular clusters: Experiment and theory

Size analysis of water cluster ions and their irradiation effects on solid surfaces

The Stability of Rare Gas Clusters by Ionization

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