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Materials discovery and design from quantum mechanics-based computational approaches

Understanding novel physics in nanoscale materials is critical for the development of modern electronics technology.However, such delicate materials are difficult to manipulate and characterize experimentally because of their tiny size. This raises the conundrum of how to proceed forward quickly with exploration and subsequently design of properties.In principle, materials properties are determined by the electronic structure. Quantum mechanics based computational approaches are able to address fundamental electronic, optical and magnetic properties in such materials.This provides a powerful complement to the …

Study level
PhD, Master of Philosophy, Honours
Faculty
Science and Engineering Faculty
School
School of Chemistry and Physics
Research centre(s)
Centre for Materials Science

Glassy 2D molecular materials

Modern semiconductor technologies are based on crystalline materials with well-defined physical and electronic structures.However, molecular materials, such as organic semiconductors, may present interesting opportunities through disordered structures.The focus of this project will be on conjugated 2D materials without long-range order: molecular glasses. Through control of the chemical composition, atomic bonding motifs, and lateral size, we will be able to modify the properties of these materials.Our focus will be on synthesising and studying these new materials to better understand the relationship …

Study level
PhD, Master of Philosophy
Faculty
Science and Engineering Faculty
School
School of Chemistry and Physics
Research centre(s)
Centre for Materials Science

Tailoring 2D materials via interface engineering

2D materials are crystalline materials with only a single layer thickness. The best known 2D materials is graphene, but it also encompasses a large family of materials , such as transition metal dichalcogenides (TMDCs).2D materials are set for breakthroughs in fundamental research and transformative technologies. They have few surface dangling bonds and unique atomic-level uniformity which make them very appealing for developing optical, electronic and energy applications.These materials also bring a new degree of freedom to combine highly distinct materials, …

Study level
Honours, Vacation research experience scheme
Faculty
Science and Engineering Faculty
School
School of Chemistry and Physics
Research centre(s)
Centre for Materials Science

2D heterostructures for future electronics

The traditional approach to the miniaturisation of electronic devices is coming to a halt. Experts agree that the Moore’s law prediction of doubling the number of transistors per chip every two years will cease to be fulfilled in 2020, as the heat produced in small structures cannot be cooled down quickly enough.However, by reducing the size of the device, the quantum nature of atoms and solids can be turned into an asset. By exploiting the phenomena occurring at these scales, …

Study level
PhD, Master of Philosophy, Honours
Faculty
Science and Engineering Faculty
School
School of Chemistry and Physics
Research centre(s)
Centre for Materials Science
Centre for Clean Energy Technologies and Practices

New 2D heterostructures on silicon carbide for two dimensional electronics

Graphene has attracted a great deal of interest due to its remarkable electronic, optical and mechanical properties. However the absence of a bandgap limits its use in many applications.Future applications in nanoelectronics will depend critically on the development of novel approaches to introduce a bandgap while preserving carrier mobility. An example includes stacking graphene with other two-dimensional (2D) materials with complementary properties.This project will look at systematically refining the integration of different 2D materials with graphene grown epitaxially on silicon …

Study level
PhD, Master of Philosophy, Honours, Vacation research experience scheme
Faculty
Science and Engineering Faculty
School
School of Chemistry and Physics
Research centre(s)
Centre for Materials Science
Centre for Clean Energy Technologies and Practices

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