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Browsing Theses and Dissertations (Physics) by Subject "2d anode materials"

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Computational insights of hydrogen vacancies mediating interaction of lithium and sodium adatoms with an electrode graphane monolayer

Kgalema, Sentserere Phodisho (University of Pretoria, 2023)

Density functional theory calculations were performed to enhance interaction of Li/Na atoms with a graphane monolayer for LIBs and NIBs. The energetic stability, electronic and electrochemical properties of Li/Na atoms on ...

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