All Outputs (12)

The influence of surface charge on the coalescence of ice and dust particles in the mesosphere (2020)
Working Paper

Agglomeration of charged ice and dust particles in the mesosphere is studied using a classical electrostatic approach, which is extended to capture the induced polarisation of surface charge. Collision outcomes are predicted whilst varying particle s... Read More about The influence of surface charge on the coalescence of ice and dust particles in the mesosphere.

N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach (2020)
Journal Article

A density functional theory study was conducted to analyze CO2 adsorption on defective and non-defective MoS2 surfaces with or without nitrogen doping. The MoS2_1VS and MoS2_1VMo_3NS were found exhibiting outstanding adsorption activity and stability... Read More about N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach.

Molecular Quantum Rings Formed from a π -Conjugated Macrocycle (2020)
Journal Article

The electronic structure of a molecular quantum ring (stacks of 40-unit cyclic porphyrin polymers) is characterized via scanning tunneling microscopy and scanning tunneling spectroscopy. Our measurements access the energetic and spatial distribution... Read More about Molecular Quantum Rings Formed from a π -Conjugated Macrocycle.

Porous Metal–Organic Polyhedra: Morphology, Porosity, and Guest Binding (2020)
Journal Article

Designing porous materials which can selectively adsorb CO2 or CH4 is an important environmental and industrial goal which requires an understanding of the host-guest interactions involved at the atomic scale. Metal-organic polyhedra (MOPs) showing p... Read More about Porous Metal–Organic Polyhedra: Morphology, Porosity, and Guest Binding.

Low dimensional nanostructures of fast ion conducting lithium nitride (2020)
Journal Article

As the only stable binary compound formed between an alkali metal and nitrogen, lithium nitride is a material with remarkable properties and a model material for energy applications involving the transport of lithium ions. Following a materials desig... Read More about Low dimensional nanostructures of fast ion conducting lithium nitride.

Low dimensional nanostructures of fast ion conducting lithium nitride (2020)
Journal Article

© 2020, The Author(s). As the only stable binary compound formed between an alkali metal and nitrogen, lithium nitride possesses remarkable properties and is a model material for energy applications involving the transport of lithium ions. Following... Read More about Low dimensional nanostructures of fast ion conducting lithium nitride.

Atomic mechanism of metal crystal nucleus formation in a single-walled carbon nanotube (2020)
Journal Article

Knowing how crystals nucleate at the atomic scale is crucial for understanding, and in turn controlling, the structure and properties of a wide variety of materials. However, because of the scale and highly dynamic nature of nuclei, the formation and... Read More about Atomic mechanism of metal crystal nucleus formation in a single-walled carbon nanotube.

The Interaction of Hydrogen with the van der Waals Crystal ?-InSe (2020)
Journal Article

The emergence of the hydrogen economy requires development in the storage, generation and sensing of hydrogen. The indium selenide (?-InSe) van der Waals (vdW) crystal shows promise for technologies in all three of these areas. For these applications... Read More about The Interaction of Hydrogen with the van der Waals Crystal ?-InSe.

Noncovalent passivation of supported phosphorene for device applications: from morphology to electronic properties (2020)
Journal Article

An interface between poly(methyl-methacrylate) PMMA-supported phosphorene and layers of linear alkane chains has been studied computationally to reveal an efficient route to noncovalent passivation in terms of the effective coverage of surface area.... Read More about Noncovalent passivation of supported phosphorene for device applications: from morphology to electronic properties.

Self?Assembly Behavior of Oppositely Charged Inverse Bipatchy Microcolloids (2020)
Journal Article

A directed attractive interaction between predefined “patchy” sites on the surfaces of anisotropic microcolloids can provide them with the ability to self‐assemble in a controlled manner to build target structures of increased complexity. An importan... Read More about Self?Assembly Behavior of Oppositely Charged Inverse Bipatchy Microcolloids.

Imaging an unsupported metal–metal bond in dirhenium molecules at the atomic scale (2020)
Journal Article

Electrostatic interactions between spheroidal dielectric particles (2020)
Journal Article

Theory is developed to address the significant problem of electrostatic interactions between charged polarizable dielectric spheroids. The electrostatic force is defined by particle dimensions and charge, dielectric constants of the interacting parti... Read More about Electrostatic interactions between spheroidal dielectric particles.