density functional theory

What are the Applications of DFT in Nanotechnology?


DFT has a wide range of applications in nanotechnology:
Material Design: Predicting and optimizing the properties of new nanomaterials.
Surface Science: Studying the interactions of atoms and molecules on nanostructured surfaces.
Quantum Dots: Understanding the electronic properties of quantum dots for applications in optoelectronics.
Catalysis: Investigating the catalytic properties of nanoparticles for enhanced chemical reactions.
Drug Delivery: Designing nanocarriers for efficient drug delivery systems.

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