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  • Theoretical Studies of Adsorption on Reactive Ionic Surfaces

    Pr76f361b?file=thumbnail
    Description:
    Metal oxide surfaces are generally recognized as active substrates for many catalytic reactions. Density Functional Theory (DFT) has been found as a useful computational tool to investigate the geometry, energy, electronic structure of reactive oxide surfaces and their interaction with small molecules and fragments. In this thesis, primary efforts have...
    Keyword:
    DFT
    Subject:
    Chemistry
    Creator:
    Xiaoyan Ma
    Owner:
    Scholarly Digital Publishing
    Date Uploaded:
    08/13/2018
    Date Modified:
    08/13/2018
    Date Created:
    2007-07-06
    Resource Type:
    Dissertation