Isovalent effects on the structural and electronic features of scandium-doped aluminum clusters Sc <sub> <i>m</i> </sub> Al <sub> <i>n</i> − <i>m</i> </sub> <sup>+/0/−</sup> with <i>m</i> = 1–2, <i>n</i> = 3–15
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.
Authors
- Minh Tho Nguyen (ORCID: https://orcid.org/0000-0002-3803-0569)
- Nguyễn Minh Tâm (ORCID: https://orcid.org/0000-0003-3153-4606)
- Bao-Ngan Nguyen-Ha (ORCID: https://orcid.org/0000-0002-8996-6332)
- My Phuong Pham-Ho
Institutions
- Vietnam National University Ho Chi Minh City (VN)
- Thai Nguyen University (VN)
- VinUniversity (VN)
- Ho Chi Minh City University of Technology (VN)
Publication Details
- Journal
- RSC Advances
- Published
- 2026-01-01
- DOI
- https://doi.org/10.1039/d5ra09683a
- Primary Topic
- Synthesis and characterization of novel inorganic/organometallic compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00