Browsing Research Articles (University of Pretoria) by Subject "Vacancy defects"

Browsing Research Articles (University of Pretoria) by Subject "Vacancy defects"

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  • Mapasha, Refilwe Edwin; Molepo, M.P.; Chetty, Nithaya (Royal Society of Chemistry, 2017)
    Using a hybrid density functional theory approach, we have studied the effect of the interaction of a Li atom with a C–H pair vacancy defect (VCH) in a graphane monolayer on the thermodynamic stability, structural, magnetic ...