Introducing alkali metal atoms between the carbon layers of graphite to form graphite intercalation compounds (GICs), can tune the interlayer spacing and charge the graphite host through a variety of electronic ground states. Hexagonal boron nitride (hBN) is another prototypical layered material and possesses a hexagonal network consisting of B and N atoms. Because of its structural similarity...
We report on the rejuvenation of thin films of polystyrene (PS) as they are heated from stable glassy states - prepared either through vapour deposition or physical aging. For films with thickness h ≳ 150 nm and less than h ≲ 100 nm the rejuvenation of vapour deposited stable PS glass films follow behaviour well-documented for other stable glasses. This behaviour is quantitatively described by...
Advances in science and technology rely on new materials and molecules with tailored chemical, mechanical, electronic, and superconducting properties. The development of reliable quantum-mechanical approaches has accelerated progress in the discovery of new materials. This is largely owing to the rapid progress of computer power and theoretical methods, particularly density functional theory...
Scientific and technological advancements in numerous areas of physical sciences and engineering rely on the ability to understand and manipulate the properties of matter at the atomic and molecular scale. Density Functional Theory (DFT) excels in approximating the fundamental equations, the Schrödinger equation describing the quantum behaviour of atoms and molecules. Although DFT is...
This research focuses on the enhancement of two-dimensional (2D) materials such as graphene, transition metal dichalcogenides (TMDs), and MXenes for advanced sensor applications. These materials are celebrated for their ability to detect specific analytes and respond to physical stimuli, making them ideal for a variety of detection strategies in fields ranging from environmental monitoring to...
