All Outputs (7)

The influence of surface charge on the coalescence of ice and dust particles in the mesosphere (2020)
Preprint / Working Paper
Baptiste, J., Williamson, C., Fox, J., Stace, A. J., Hassan, M., Braun, S., …Besley, E. The influence of surface charge on the coalescence of ice and dust particles in the mesosphere

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
Enujekwu, F. M., Zhang, Y., Ezeh, C. I., Zhao, H., Xu, M., Besley, E., …Wu, T. (2021). N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach. Applied Surface Science, 542, Article 148556. https://doi.org/10.1016/j.apsusc.2020.148556

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.

Porous Metal–Organic Polyhedra: Morphology, Porosity, and Guest Binding (2020)
Journal Article
Argent, S. P., Da Silva, I., Greenaway, A., Savage, M., Humby, J., Davies, A. J., …Schröder, M. (2020). Porous Metal–Organic Polyhedra: Morphology, Porosity, and Guest Binding. Inorganic Chemistry, 59(21), 15646-15658. https://doi.org/10.1021/acs.inorgchem.0c01935

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.

Atomic mechanism of metal crystal nucleus formation in a single-walled carbon nanotube (2020)
Journal Article
Cao, K., Biskupek, J., Stoppiello, C. T., McSweeney, R. L., Chamberlain, T. W., Liu, Z., …Kaiser, U. (2020). Atomic mechanism of metal crystal nucleus formation in a single-walled carbon nanotube. Nature Chemistry, 12, 921–928. https://doi.org/10.1038/s41557-020-0538-9

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 γ-InSe (2020)
Journal Article
Felton, J., Blundo, E., Ling, S., Glover, J., Kudrynskyi, Z. R., Makarovsky, O., …Patané, A. (2020). The Interaction of Hydrogen with the van der Waals Crystal γ-InSe. Molecules, 25(11), Article 2526. https://doi.org/10.3390/molecules25112526

The emergence of the hydrogen economy requires development in the storage, generation and sensing of hydrogen. The indium selenide (γ-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 γ-InSe.

Noncovalent passivation of supported phosphorene for device applications: from morphology to electronic properties (2020)
Journal Article
Lorenzoni, A., Baldoni, M., Besley, E., & Mercuri, F. (2020). Noncovalent passivation of supported phosphorene for device applications: from morphology to electronic properties. Physical Chemistry Chemical Physics, 2020(22), 12482-12488. https://doi.org/10.1039/d0cp00939c

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
Naderi Mehr, F., Grigoriev, D., Heaton, R., Baptiste, J., Stace, A. J., Puretskiy, N., …Böker, A. (2020). Self‐Assembly Behavior of Oppositely Charged Inverse Bipatchy Microcolloids. Small, 16(4), Article 2000442. https://doi.org/10.1002/smll.202000442

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.