Browsing Theses and Dissertations (Physics) by Subject "Computational modelling studies"

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  • Masenya, Mamago Adolphina (University of Limpopo, 2016)
    The stabilities of PtS to PdS and PdS to PtS were investigated using density functional theory within the generalized gradient approximation. Their structural, electronic and mechanical properties were determined to show ...

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