This investigation reports structural and electronic changes in aluminum clusters due to scandium doping, implying insights into cluster behavior.
Singly and doubly scandium-doped aluminum clusters Sc m Al n − m +/0/− with m = 1–2 and n = 3–15 are systematically investigated using density functional theory (DFT) with the PBE functional and the def2-TZVP basis set.
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Nguyen-Ha et al. (2026) studied this question.
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