Computational insights into charged dopant-vacancy defect complexes in graphane for nanotechnology applications

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

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First-principles study of the enhancement of electrochemical performance of a SnS2 monolayer for lithium/sodium-ion batteries via vacancy defects

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Computational studies of doped tin disulphide monolayer for photoelectrochemical water splitting

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