First Principle Calculations of the Structure and Electronic Properties of Pentacene Based Organic and ZnO Based Inorganic Semiconducting Materials
Description:
In this thesis, I utilize first principles density functional theory (DFT) based calculations to investigate the structure and electronic properties including charge transfer behaviors and work function of two types of materials: pentacene based organic semiconductors and ZnO transparent conducting oxides, with an aim to search for high mobility n-type organic semiconductors and fine tuning work functions of ZnO through surface modifications. Based on DFT calculations of numerous structure comb…
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Date:
May 2012
Creator:
Li, Yun
Partner:
UNT Libraries