Fundamentals and Application of Electronic Structure Calculation

  • Yang, Chih-kai (PI)

Project: National Science and Technology CouncilNational Science and Technology Council Academic Grants

Project Details

Abstract

In this project I propose to investigate the interaction of biochemical molecules with boron nitride nanotubes by using standard density functional calculation. The results are to be compared with those of carbon nanotubes. Adsorption of the molecules on metallic and semiconducting surfaces will also be calculated and checked with available experimental spectra. The purpose is to learn more about how low-dimensional systems can be incorporated into biological process. I will also study the excited states and optical properties of bulk and nanoscale materials by taking into account the many-body effect in the electronic structure calculation, using available GW approximation and Bethe-Salpeter equation.

Project IDs

Project ID:PA9807-1673
External Project ID:NSC98-2112-M004-003-MY3
StatusFinished
Effective start/end date01/08/0931/07/10

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