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Enhanced Hydrogen Storage of a Functional Material: Hf2CF2 MXene with Li Decoration
Gencer, Ayşenur; Aydın, Sezgin; Sürücü, Özge; Wang, Xiaotian; Deligöz, Engin; Sürücü, Gokhan (Elsevier B.V., 2021)In this paper, the hydrogen storage properties of the Li-decorated stable Hf2CF2 MXene layer, obtained by the exfoliation of Al from Hf2AlC and F-termination, are considered by using first-principles calculations based on ...