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Two theoretical approaches to nanostructured interfaces

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Nanotechnology has emerged as a versatile platform that can provide efficient and environmentally acceptable solutions to the global sustainability challenges. Theoretical modeling and atomistic simulation are used to study the properties of surfaces and interfaces at the nanoscale and direct the design of novel nanostructured materials for energy and optoelectronic applications: I will discuss concepts and techniques for the theoretical investigation of photoexcited semiconductor/adsorbate interfaces within the framework of time-dependent density functional theory, and for elucidating the electronic structure of commensurate and incommensurate layered assemblies using perturbation theory.

This talk is part of the Electronic Structure Discussion Group series.

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