All Outputs (91)

Triplet Excitation and Electroluminescence from a Supramolecular Monolayer Embedded in a Boron Nitride Tunnel Barrier (2019)
Journal Article
Svatek, S. A., Kerfoot, J., Summerfield, A., Nizovtsev, A. S., Korolkov, V. V., Taniguchi, T., Watanabe, K., Antolín, E., Besley, E., & Beton, P. H. (2020). Triplet Excitation and Electroluminescence from a Supramolecular Monolayer Embedded in a Boron Nitride Tunnel Barrier. Nano Letters, 20(1), 278-283. https://doi.org/10.1021/acs.nanolett.9b03787

© 2019 American Chemical Society. We show that ordered monolayers of organic molecules stabilized by hydrogen bonding on the surface of exfoliated few-layer hexagonal boron nitride (hBN) flakes may be incorporated into van der Waals heterostructures... Read More about Triplet Excitation and Electroluminescence from a Supramolecular Monolayer Embedded in a Boron Nitride Tunnel Barrier.

Interaction between particles with inhomogeneous surface charge distributions: Revisiting the Coulomb fission of dication molecular clusters (2019)
Journal Article
Filippov, A. V., Chen, X., Harris, C., Stace, A. J., & Besley, E. (2019). Interaction between particles with inhomogeneous surface charge distributions: Revisiting the Coulomb fission of dication molecular clusters. Journal of Chemical Physics, 151(15), Article 154113. https://doi.org/10.1063/1.5119347

An analytical solution describing the electrostatic interaction between particles with inhomogeneous surface charge distributions has been developed. For particles, each carrying a single charge, the solution equates to the presence of a point charge... Read More about Interaction between particles with inhomogeneous surface charge distributions: Revisiting the Coulomb fission of dication molecular clusters.

Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule (2019)
Journal Article
Temperton, R. H., Skowron, S. T., Handrup, K., Gibson, A. J., Nicolaou, A., Jaouen, N., Besley, E., & O’Shea, J. N. (2019). Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule. Journal of Chemical Physics, 151(7), 1-9. https://doi.org/10.1063/1.5114692

N 1s Resonant Inelastic X-ray Scattering (RIXS) was used to probe the molecular electronic structure of the ruthenium photosensitizer complex cis-bis(isothiocyanato) bis(2,2′-bipyridyl-4,4′-dicarboxylato) ruthenium(II), known as “N3.” In order to int... Read More about Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule.

Epitaxial multilayers of alkanes on two-dimensional black phosphorus as passivating and electrically insulating nanostructures (2019)
Journal Article
Bolognesi, M., Brucale, M., Lorenzoni, A., Prescimone, F., Moschetto, S., Korolkov, V. V., Baldoni, M., Serrano-Ruiz, M., Caporali, M., Mercuri, F., Besley, E., Muccini, M., Peruzzini, M., Beton, P. H., & Toffanin, S. (2019). Epitaxial multilayers of alkanes on two-dimensional black phosphorus as passivating and electrically insulating nanostructures. Nanoscale, 11(37), 17252-17261. https://doi.org/10.1039/c9nr01155b

© The Royal Society of Chemistry. Mechanically exfoliated two-dimensional (2D) black phosphorus (bP) is epitaxially terminated by monolayers and multilayers of tetracosane, a linear alkane, to form a weakly interacting van der Waals heterostructure.... Read More about Epitaxial multilayers of alkanes on two-dimensional black phosphorus as passivating and electrically insulating nanostructures.

Ordering, Flexibility and Frustration in Arrays of Porphyrin Nanorings (2019)
Journal Article
Summerfield, A., Baldoni, M., Kondratuk, D. V., Anderson, H. L., Whitelam, S., Garrahan, J. P., Besley, E., & Beton, P. H. (2019). Ordering, Flexibility and Frustration in Arrays of Porphyrin Nanorings. Nature Communications, 10, Article 2932. https://doi.org/10.1038/s41467-019-11009-y

The regular packing of atoms, molecules and nanoparticles provides the basis for the understanding of structural order within condensed phases of matter. Typically the constituent particles are considered to be rigid with a fixed shape. Here we show,... Read More about Ordering, Flexibility and Frustration in Arrays of Porphyrin Nanorings.

The effects of encapsulation on damage to molecules by electron radiation (2019)
Journal Article
Skowron, S. T., Roberts, S. L., Khlobystov, A. N., & Besley, E. (2019). The effects of encapsulation on damage to molecules by electron radiation. Micron, 120, 96-103. https://doi.org/10.1016/j.micron.2019.02.007

Encapsulation of materials imaged by high resolution transmission electron microscopy presents a promising route to the reduction of sample degradation, both independently and in combination with other traditional solutions to controlling radiation d... Read More about The effects of encapsulation on damage to molecules by electron radiation.

Steric and electronic control of 1,3-dipolar cycloaddition reactions in carbon nanotube nanoreactors (2019)
Journal Article
Miners, S. A., Fay, M. W., Baldoni, M., Besley, E., Khlobystov, A. N., & Rance, G. A. (2019). Steric and electronic control of 1,3-dipolar cycloaddition reactions in carbon nanotube nanoreactors. Journal of Physical Chemistry C, 123(10), 6294-6302. https://doi.org/10.1021/acs.jpcc.9b01190

The use of single-walled carbon nanotubes as effective nanoreactors for preparative bimolecular reactions has been demonstrated for the first time. We show that the extreme spatial confinement of guest reactant molecules inside host carbon nanotubes... Read More about Steric and electronic control of 1,3-dipolar cycloaddition reactions in carbon nanotube nanoreactors.

Synthesis and characterisation of rylene diimide dimers using molecular handcuffs (2019)
Journal Article
Yang, L., Langer, P., Davies, E. S., Baldoni, M., Wickham, K., Besley, N. A., Besley, E., & Champness, N. R. (2019). Synthesis and characterisation of rylene diimide dimers using molecular handcuffs. Chemical Science, 10(13), 3723-3732. https://doi.org/10.1039/c9sc00167k

A strategy for positioning, and loosely connecting, molecules in close proximity using mechanically interlocked handcuffs is described. The strategy is demonstrated using rylene diimides, creating dimeric structures in which two components are linked... Read More about Synthesis and characterisation of rylene diimide dimers using molecular handcuffs.

Adsorption of Hexacontane on Hexagonal Boron Nitride (2018)
Journal Article
Albar, J. D., Korolkov, V. V., Baldoni, M., Watanabe, K., Taniguchi, T., Besley, E., & Beton, P. H. (2018). Adsorption of Hexacontane on Hexagonal Boron Nitride. Journal of Physical Chemistry C, 122(48), 27575-27581. https://doi.org/10.1021/acs.jpcc.8b10167

© 2018 American Chemical Society. We have investigated the adsorption of hexacontane (C60H122) on hexagonal boron nitride (hBN) using atomic force microscopy (AFM). The molecules can be deposited either by sublimation or from solution and form lamell... Read More about Adsorption of Hexacontane on Hexagonal Boron Nitride.

Atomistic Simulations of the Efficiencies of Ge and Pt Ion Implantation into Graphene (2018)
Journal Article
Åhlgren, E. H., Markevich, A., & Besley, E. (2018). Atomistic Simulations of the Efficiencies of Ge and Pt Ion Implantation into Graphene. Journal of Physical Chemistry C, 122(44), 25700-25708. https://doi.org/10.1021/acs.jpcc.8b07306

Recent success in the direct implantation of 74Ge+ ion, the heaviest atomic impurity to date, into monolayer graphene presents a general question of the efficiency of low-energy ion implantation technique for heavy atoms. A comparative computational... Read More about Atomistic Simulations of the Efficiencies of Ge and Pt Ion Implantation into Graphene.

The growth and fluorescence of phthalocyanine monolayers, thin films and multilayers on hexagonal boron nitride (2018)
Journal Article
Alkhamisi, M., Korolkov, V. V., Nizovtsev, A. S., Kerfoot, J., Taniguchi, T., Watanabe, K., Besley, N. A., Besley, E., & Beton, P. H. (2018). The growth and fluorescence of phthalocyanine monolayers, thin films and multilayers on hexagonal boron nitride. Chemical Communications, 54(85), 12021-12024. https://doi.org/10.1039/C8CC06304D

Free-base phthalocyanine forms distinct interfacial phases and thin films on hexagonal boron nitride including a monolayer arrangement as determined using high resolution atomic force microscopy. The phases reveal significant differences in photolumi... Read More about The growth and fluorescence of phthalocyanine monolayers, thin films and multilayers on hexagonal boron nitride.

Pore-filling contamination in metal–organic frameworks (2018)
Journal Article
Glover, J., & Besley, E. (2018). Pore-filling contamination in metal–organic frameworks. Physical Chemistry Chemical Physics, 20(36), 23616-23624. https://doi.org/10.1039/c8cp04769c

Tuneable pore sizes, ordered crystal structures, and large surface areas are some of the main attractive features of metal–organic frameworks (MOFs). To fully understand the structure–property relationships of these materials, accurate characterisati... Read More about Pore-filling contamination in metal–organic frameworks.

Comparison of atomic scale dynamics for the middle and late transition metal nanocatalysts (2018)
Journal Article
Cao, K., Zoberbier, T., Biskupek, J., Botos, A., McSweeney, R. L., Kurtoglu, A., Stoppiello, C. T., Markevich, A. V., Besley, E., Chamberlain, T. W., Kaiser, U., & Khlobystov, A. N. (2018). Comparison of atomic scale dynamics for the middle and late transition metal nanocatalysts. Nature Communications, 9, 1-10. https://doi.org/10.1038/s41467-018-05831-z

Catalysis of chemical reactions by nanosized clusters of transition metals holds the key to the provision of sustainable energy and materials. However, the atomistic behaviour of nanocatalysts still remains largely unknown due to uncertainties associ... Read More about Comparison of atomic scale dynamics for the middle and late transition metal nanocatalysts.

Substrate-induced shifts and screening in the fluorescence spectra of supramolecular adsorbed organic monolayers (2018)
Journal Article
Kerfoot, J., Korolkov, V. V., Nizovtsev, A. S., Jones, R., Taniguchi, T., Watanabe, K., Lesanovsky, I., Olmos, B., Besley, N. A., Besley, E., & Beton, P. H. (2018). Substrate-induced shifts and screening in the fluorescence spectra of supramolecular adsorbed organic monolayers. Journal of Chemical Physics, 149(5), Article 054701. https://doi.org/10.1063/1.5041418

We have investigated the influence of the substrate on the fluorescence of adsorbed organic molecules. Monolayer films of perylene-3,4,9,10-tetracarboxylic-3,4,9,10-diimide (PTCDI), a supramolecular network formed from PTCDI and melamine, and perylen... Read More about Substrate-induced shifts and screening in the fluorescence spectra of supramolecular adsorbed organic monolayers.

Electrostatic interactions between charged dielectric particles in an electrolyte solution: constant potential boundary conditions (2018)
Journal Article
Derbenev, I. N., Filippov, A. V., Stace, A. J., & Besley, E. (2018). Electrostatic interactions between charged dielectric particles in an electrolyte solution: constant potential boundary conditions. Soft Matter, 14(26), 5480-5487. https://doi.org/10.1039/c8sm01068d

The problem of electrostatic interactions between colloidal particles in an electrolyte solution has been solved within the Debye–Hückel approximation using the boundary condition of constant potential. The model has been validated in two independent... Read More about Electrostatic interactions between charged dielectric particles in an electrolyte solution: constant potential boundary conditions.

An integral equation approach to calculate electrostatic interactions in many-body dielectric systems (2018)
Journal Article
Lindgren, E. B., Stace, A. J., Polack, E., Maday, Y., Stamm, B., & Besley, E. (2018). An integral equation approach to calculate electrostatic interactions in many-body dielectric systems. Journal of Computational Physics, 371, 712-731. https://doi.org/10.1016/j.jcp.2018.06.015

In this article, a numerical method to compute the electrostatic interaction energy and forces between many dielectric particles is presented. The computational method is based on a Galerkin approximation of an integral equation formulation, which is... Read More about An integral equation approach to calculate electrostatic interactions in many-body dielectric systems.

Implanting Germanium into Graphene (2018)
Journal Article
Tripathi, M., Markevich, A., Böttger, R., Facsko, S., Besley, E., Kotakoski, J., & Susi, T. (2018). Implanting Germanium into Graphene. ACS Nano, 12(5), 4641-4647. https://doi.org/10.1021/acsnano.8b01191

Incorporating heteroatoms into the graphene lattice may be used to tailor its electronic, mechanical and chemical properties, although directly observed substitutions have thus far been limited to incidental Si impurities and P, N and B dopants intro... Read More about Implanting Germanium into Graphene.

Enhancement of CO2 uptake and selectivity in a metal-organic framework by incorporation of thiophene functionality (2018)
Journal Article
Bolotov, V. A., Kovalenko, K. A., Samsonenko, D. G., Han, X., Zhang, X., Smith, G. L., McCormick, L., Teat, S. J., Yang, S., Lennox, M. J., Henley, A., Besley, E., Fedin, V. P., Dybtsev, D. N., & Schröder, M. (2018). Enhancement of CO2 uptake and selectivity in a metal-organic framework by incorporation of thiophene functionality. Inorganic Chemistry, 57(9), https://doi.org/10.1021/acs.inorgchem.8b00138

The complex [Zn2(tdc)2dabco] (H2tdc = thiophene-2,5-dicarboxylic acid; dabco = 1,4-diazabicyclooctane) shows a remarkable increase in CO2 uptake and CO2/N2 selectivity compared to the non-thiophene analogue [Zn2(bdc)2dabco] (H2bdc = benzene-1,4-dica... Read More about Enhancement of CO2 uptake and selectivity in a metal-organic framework by incorporation of thiophene functionality.

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.-K., 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.