Size limits and fission channels of doubly charged noble gas clusters

I Stromberg, S Bergmeister, L Ganner… - Physical Chemistry …, 2024‏ - pubs.rsc.org
Small, highly charged liquid droplets are unstable with respect to spontaneous charge
separation when their size drops below the Rayleigh limit or, in other words, their fissility …

Unravelling the potential of silicon carbide for water treatment: Insights on the interactions of fluoroquinolone antibiotics

A Yadav, A Nair, PK Sanotra, SS Dindorkar - Silicon, 2023‏ - Springer
Antibiotics and their residues, particularly those belonging to the fluoroquinolone class, are
harmful to aquatic and human life, making their removal essential. Although 2D materials …

New mechanisms of macroion-induced disintegration of charged droplets

S Consta, MI Oh, A Malevanets - Chemical Physics Letters, 2016‏ - Elsevier
Molecular modeling has revealed that the presence of charged macromolecules
(macroions) in liquid droplets dramatically changes the pathways of droplet fission. These …

[HTML][HTML] Molecular simulation methods of evaporating electrosprayed droplets

S Consta, H Nguyen - International Journal of Mass Spectrometry, 2025‏ - Elsevier
A robust methodology for molecular simulations of evaporating droplets that enables
comparison between the dynamics of the process of interest and the solvent evaporation …

CO2 clusters: forming fragile dications in helium nanodroplets

F Foitzik, L Ganner, S Bergmeister, F Zappa… - Physica …, 2024‏ - iopscience.iop.org
For many atoms and molecules, small multiply charged clusters are unstable with respect to
spontaneous charge separation. When bare CO 2 clusters are ionized by electrons, the …

Macroion–solvent interactions in charged droplets

S Consta, MI Oh, M Sharawy… - The Journal of Physical …, 2018‏ - ACS Publications
Macroion–droplet interactions play a critical role in many settings such as ionization
techniques of samples in mass spectrometry analysis and atmospheric aerosols. The …

Alkaline earth metal mediated inter-molecular magnetism in perfluorocubane dimers and chains

Z Li, C Wang, L Zhou, Y Guan, L Wu, J Dai… - arxiv preprint arxiv …, 2024‏ - arxiv.org
Perfluorocubane ($ C_8F_8 $) was successfully synthesized and found to accept and store
electrons in its internal cubic cavity to form magnetic moments. However their inter-molecule …

Dynamics and thermodynamics of decay in charged clusters

MA Miller, DA Bonhommeau, CP Moerland… - Molecular …, 2015‏ - Taylor & Francis
We propose a method for quantifying charge-driven instabilities in clusters, based on
equilibrium simulations under confinement at constant external pressure. This approach …

Charge localization in multiply charged clusters and their electrical properties: Some insights into electrospray droplets

DA Bonhommeau, R Spezia… - The Journal of Chemical …, 2012‏ - pubs.aip.org
The surface composition of charged Lennard-Jones clusters| ${\rm A} _N^{n+} $| AN n+⁠,
composed of N particles (55≤ N≤ 1169) among which n are positively charged with charge …

Rayleigh limit and fragmentation of multiply charged Lennard-Jones clusters: Can charged clusters provide clues to investigate the stability of electrospray droplets?

DA Bonhommeau - The Journal of Chemical Physics, 2017‏ - pubs.aip.org
The fragmentation of multiply charged clusters composed of N≤ 1000 Lennard-Jones
particles augmented with electrostatic interactions is explored by classical Monte Carlo and …