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Probing the Structural and Electronic Properties of MAX Phases and Their Corresponding MXenes Using First-Principles Calculations

Aseema Banu, Sastipriyaa Padmanaaban, Ramesh Kannan,Sujin P. Jose

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS(2024)

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Key words
MXenes,DFT study,density of states,Bader charge analysis,Fermi level
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