Simulation of the synthesis and structure-property relationships of 2D covalent-organic frameworks
Master, Diplom
Cover
©TUD

Covalent-Organic frameworks (COFs) are novel framework materials that consist of molecular building blocks that are fused together in a regular pattern. Due to manifold possible building blocks, it is possible to create materials with tailored properties. COFs also exist as monolayer materials, similar to graphene. These 2D COFs are promising materials for 2D electronics, catalysis, membranes and more.

Projects for Master- and Diploma-Students could revolve around understanding the bottom-up synthesis on a molecular scale or structure-property relationships of 2D COFs.
Projects could involve the use of Molecular Dynamics (MD), Monte Carlo (MC), Tight-Binding models (TB), Density functional based Tight-Binding (DFTB), high-thoughput calculations or machine-learning, depending on the student’s interests and background.



Group
Projects
Simulation of the synthesis and structure-property relationships of 2D covalent-organic frameworks
Master, Diplom
Cover
©TUD

Covalent-Organic frameworks (COFs) are novel framework materials that consist of molecular building blocks that are fused together in a regular pattern. Due to manifold possible building blocks, it is possible to create materials with tailored properties. COFs also exist as monolayer materials, similar to graphene. These 2D COFs are promising materials for 2D electronics, catalysis, membranes and more.

Projects for Master- and Diploma-Students could revolve around understanding the bottom-up synthesis on a molecular scale or structure-property relationships of 2D COFs.
Projects could involve the use of Molecular Dynamics (MD), Monte Carlo (MC), Tight-Binding models (TB), Density functional based Tight-Binding (DFTB), high-thoughput calculations or machine-learning, depending on the student’s interests and background.



Group
Projects