All Outputs (11)

Adsorption of Hexacontane on Hexagonal Boron Nitride (2018)
Journal Article

© 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

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

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

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

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

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

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

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

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

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

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.