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Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework (2022)
Journal Article
Hassan, M., Williamson, C., Baptiste, J., Braun, S., Stace, A. J., Besley, E., & Stamm, B. (2022). Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework. Journal of Chemical Theory and Computation, 18(10), 6281-6296. https://doi.org/10.1021/acs.jctc.2c00008

We derive a rigorous analytical formalism and propose a numerical method for the quantitative evaluation of the electrostatic interactions between dielectric particles in an external electric field. This formalism also allows for inhomogeneous charge... Read More about Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework.

Coulomb fission in multiply-charged ammonia clusters: accurate measurements of the Rayleigh instability limit from fragmentation patterns (2018)
Journal Article
Harris, C., & Stace, A. J. (2018). Coulomb fission in multiply-charged ammonia clusters: accurate measurements of the Rayleigh instability limit from fragmentation patterns. Journal of Physical Chemistry A, 122(10), 2634-2644. https://doi.org/10.1021/acs.jpca.8b00815

A series of experiments have been undertaken on the fragmentation of multiply charged ammonia clusters, (NH3)nz+, where z  8 and n  800, to establish Rayleigh instability limits, whereby clusters at certain critical sizes become unstable due to Cou... Read More about Coulomb fission in multiply-charged ammonia clusters: accurate measurements of the Rayleigh instability limit from fragmentation patterns.

Dynamic simulations of many-body electrostatic self-assembly (2018)
Journal Article
Lindgren, E. B., Stamm, B., Maday, Y., Besley, E., & Stace, A. J. (2018). Dynamic simulations of many-body electrostatic self-assembly. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, https://doi.org/10.1098/rsta.2017.0143

Two experimental studies relating to electrostatic self-assembly have been the subject of dynamic computer simulations, where the consequences of changing the charge and the dielectric constant of the materials concerned have been explored. One serie... Read More about Dynamic simulations of many-body electrostatic self-assembly.

Electrostatic self-assembly: understanding the significance of the solvent (2017)
Journal Article
Lindgren, E. B., Derbenev, I. N., Khachatourian, A., Chan, H., Stace, A. J., & Besley, E. (2018). Electrostatic self-assembly: understanding the significance of the solvent. Journal of Chemical Theory and Computation, 14(2), https://doi.org/10.1021/acs.jctc.7b00647

The electrostatic deposition of particles has become a very effective route to the assembly of many nanoscale materials. However, fundamental limitations to the process are presented by the choice of solvent, which can either suppress or promote self... Read More about Electrostatic self-assembly: understanding the significance of the solvent.

Coulomb fission in multiply charged molecular clusters: Experiment and theory (2017)
Journal Article
Harris, C., Baptiste, J., Lindgren, E. B., Besley, E., & Stace, A. J. (2017). Coulomb fission in multiply charged molecular clusters: Experiment and theory. Journal of Chemical Physics, 146(16), Article 164302. https://doi.org/10.1063/1.4981918

A series of three multiply charged molecular clusters, (C6H6)nz+ (benzene), (CH3CN)nz+ (acetonitrile), and (C4H8O)nz+ (tetrahydrofuran), where the charge z is either 3 or 4, have been studied for the purpose of identifying patterns of behaviour close... Read More about Coulomb fission in multiply charged molecular clusters: Experiment and theory.

Experimental measurements of water molecule binding energies for the second and third solvation shells of [Ca(H?O)n]2+ complexes (2017)
Journal Article
Bruzzi, E., & Stace, A. J. (in press). Experimental measurements of water molecule binding energies for the second and third solvation shells of [Ca(H?O)n]2+ complexes. Royal Society Open Science, 4(1), https://doi.org/10.1098/rsos.160671

Further understanding of the biological role of the Ca2+ ion in an aqueous environment requires quantitative measurements of both the short and long range interactions experienced by the ion in an aqueous medium. Here we present experimental measurem... Read More about Experimental measurements of water molecule binding energies for the second and third solvation shells of [Ca(H?O)n]2+ complexes.

The effect of like-charge attraction on aerosol growth in the atmosphere of Titan (2016)
Journal Article
Lindgren, E. B., Stamm, B., Chan, H., Maday, Y., Stace, A. J., & Besley, E. (2017). The effect of like-charge attraction on aerosol growth in the atmosphere of Titan. Icarus, 291, 245-253. https://doi.org/10.1016/j.icarus.2016.12.013

The formation of aerosols in the atmosphere of Titan is based extensively onion-neutral chemistry and physical condensation processes. Herein it is shown that the formation of aerosols may also occur through an alternative pathway that involves the p... Read More about The effect of like-charge attraction on aerosol growth in the atmosphere of Titan.

Molecular dynamic simulations of the elastic and inelastic surface scattering of nanoparticles (2014)
Journal Article
Stace, A. J. (2014). Molecular dynamic simulations of the elastic and inelastic surface scattering of nanoparticles. Physical Chemistry Chemical Physics, 16(7), 3077-3086. https://doi.org/10.1039/c3cp54571g

Molecular dynamics calculations have been undertaken to simulate the collision of a solid, rotating nanoparticle with a planar, two-dimensional surface at thermal velocities (linear and rotational) equivalent to 500 K. During the course of a collisio... Read More about Molecular dynamic simulations of the elastic and inelastic surface scattering of nanoparticles.