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    Theoretical Studies on Structural, Electronic, Piezoelectric, and Optical Properties of Janus Sc2CXY (X ≠ Y, X/Y = F, Cl, Br, and I) MXenes

    Using first-principles calculations, the structural, electronic, piezoelectric, and optical properties of Janus Sc2CXY (X ≠ Y, X/Y = F, Cl, Br, and I) MXenes were comprehensively investigated. All of the studied ...

    Yanzong Wang, Nan Hu, Qinfang Zhang, Yihan Ma, Rui Huang… in Journal of Electronic Materials (2024)