Minh T. Nguyen

Jan 2, 2025 | pubs.rsc.org | Minh T. Nguyen |Minh Nguyễn

Endohedral Boron-doped Scandium Clusters BmScn-m+/0 (m = 2 – 3, n = 3-13): Triangular - Linear Rearrangement of the B3 Dopant Abstract A theoretical investigation, employing density functional theory with the PBE functional and the Def2-TZVP basis set, comprehensively explores the geometric and electronic structures and properties of the boron doped scandium clusters BmScn-m+/0 with m = 2-3 and n = 3-13.

Oct 18, 2024 | pubs.rsc.org | Long Van Duong |Nguyen Tam |Nguyễn Tâm |Amir Karton |Minh T. Nguyen |Minh Nguyễn

Triple-chain Boron Clusters: Lengthening via Phosphorus Doping and Enhancing Stability through {P} by {CH} Substitution This theoretical study presents novel insights into the doping of boron clusters with an increasing number of dopant atoms, ranging from 1 to 4, that preserve the integrity of the original boron framework.