Splashing of Large Helium Nanodroplets upon Surface Collisions

Martini, Paul; Albertini, Simon; Laimer, Felix; Meyer, Miriam; Gatchell, Michael; Echt, Olof; Zappa, Fábio; Scheier, P.

doi:10.1103/physrevlett.127.263401

Cited by 23 publications

(27 citation statements)

References 44 publications

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“…As a final example we investigated the formation of C 60 cluster ions of both polarities via pickup into pre-charged helium droplets. We performed these measurements with two different configurations of the same instrument, i.e., electron ionization of neutral He droplets doped with C 60 (red circles, Figure 5 ) [ 57 ] and surface impact of charged helium droplets subsequently doped with C 60 (blue squares, Figure 5 ) [ 58 ]. The average size of the He droplets initially formed were in all cases about 10 6 He atoms [ 59 ].…”

Section: Resultsmentioning

confidence: 99%

“…In the present study, we utilized two different methods to extract singly charged dopant cluster ions from the massive helium droplets: (i) Multiple collisions with room temperature helium gas in an ion guide (RF-hexapole) shrinks the droplets and leads to a sequential ejection of charged dopant clusters whenever the Coulomb repulsion exceeds the binding energy of these charges to the droplet [ 29 ]. Depending on the helium pressure in the collision cell, the dopant cluster ions are deprived of helium or still solvated with up to a few hundred helium atoms and (ii) Most of the charge centers of ionized helium droplets are liberated from the droplet and backscattered upon surface impact, as recently demonstrated by Martini et al [ 58 ]. All low-mass ions are then guided to the extraction region of an orthogonal time of flight mass spectrometer and cluster size distributions are obtained from high-resolution mass spectra (m/Δm up to 15,000).…”

Section: Methodsmentioning

confidence: 99%

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Efficient Formation of Size-Selected Clusters upon Pickup of Dopants into Multiply Charged Helium Droplets

Kollotzek

Lushchikova

Tiefenthaler

et al. 2022

IJMS

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Properties of clusters often depend critically on the exact number of atomic or molecular building blocks, however, most methods of cluster formation lead to a broad, size distribution and cluster intensity anomalies that are often designated as magic numbers. Here we present a novel approach of breeding size-selected clusters via pickup of dopants into multiply charged helium nanodroplets. The size and charge state of the initially undoped droplets and the vapor pressure of the dopant in the pickup region, determines the size of the dopant cluster ions that are extracted from the host droplets, via evaporation of the helium matrix in a collision cell filled with room temperature helium or via surface collisions. Size distributions of the selected dopant cluster ions are determined utilizing a high-resolution time of flight mass spectrometer. The comparison of the experimental data, with simulations taking into consideration the pickup probability into a shrinking He droplet due to evaporation during the pickup process, provides a simple explanation for the emergence of size distributions that are narrower than Poisson.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Efficient Formation of Size-Selected Clusters upon Pickup of Dopants into Multiply Charged Helium Droplets

Kollotzek

Lushchikova

Tiefenthaler

et al. 2022

IJMS

Self Cite

View full text Add to dashboard Cite

show abstract

“…32–36 However, the process of deposition requires the kinetic energies of the incident clusters to be dissipated in some format, which could cause disintegration of the cluster itself, even under the protection of helium atoms in a droplet. 43 After deposition, the nanoclusters can interact with the substrate and modify the atomic structures, or they can migrate and aggregate. Using the ultra-intense, ultra-short free electron lasers (XFEL), X-ray diffraction of single Xe doped droplets has been probed.…”

Section: Superfluid Helium Droplets and Formation Of Clustersmentioning

confidence: 99%

Electron diffraction as a structure tool for charged and neutral nanoclusters formed in superfluid helium droplets

Zhang

Kong

2022

Phys. Chem. Chem. Phys.

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“…In the first case, the recent development of synthetic techniques allowing for the production of monodisperse metal clusters composed by a few atoms 68 paves the route toward bio-oriented applications. 69 In the latter case, spectroscopic parameters (e.g., photoabsorption spectra) of molecules solvated in helium nanodroplets 70 can be computed in the framework of a QM/MM model employing the recently developed renormalized He–He potentials to account for the fluid nature of the solvent. 71 Work along these and related lines is ongoing in our laboratories.…”

Section: Discussionmentioning

confidence: 99%

Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters

Mancini

Fusè

Lipparini

et al. 2022

J. Chem. Theory Comput.

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Multiscale methods combining quantum mechanics and molecular mechanics (QM/MM) have become the most suitable and effective strategies for the investigation of the spectroscopic properties of medium-to-large size chromophores in condensed phases. In this context, we are developing a novel workflow aimed at improving the generality, reliability, and ease of use of the available computational tools. In this paper, we report our latest developments with specific reference to a general protocol based on atomistic simulations, carried out under nonperiodic boundary conditions (NPBC). In particular, we add to our in house MD engine a new efficient treatment of mean field electrostatic contributions to energy and forces, together with the capability of performing the simulations either in the canonical ( NVT ) or in the isothermal–isobaric ( NPT ) ensemble. Next, we provide convincing evidence that the NBPC approach enhanced by specific tweaks for rigid body propagation, allows for the simulation of solute–solvent systems with a minimum number of degrees of freedom and large integration time step. After its validation, this new approach is applied to the challenging case of solvatochromic effects on the electron paramagnetic resonance (EPR) spectrum of a prototypical nitroxide radical. To this end, we propose and validate also an automated protocol to extract and weight simulation snapshots, making use of a continuous description of the strength of solute–solvent hydrogen bridges. While further developments are being worked on, the effectiveness of our approach, even in its present form, is demonstrated by the accuracy of the results obtained through an unsupervised approach characterized by a strongly reduced computational cost as compared to that of conventional QM/MM models, without any appreciable deterioration of accuracy.

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Splashing of Large Helium Nanodroplets upon Surface Collisions

Cited by 23 publications

References 44 publications

Efficient Formation of Size-Selected Clusters upon Pickup of Dopants into Multiply Charged Helium Droplets

Efficient Formation of Size-Selected Clusters upon Pickup of Dopants into Multiply Charged Helium Droplets

Electron diffraction as a structure tool for charged and neutral nanoclusters formed in superfluid helium droplets

Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters

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