The finding of transition-metal-doped binary superatoms: TM@Li15

Graphene-like quaternary compound SiBCN: A new wide direct band gap semiconductor predicted by a first-principles study

Stable group-IIB elements —Zn, Cd and Hg at terapascal pressures

High-pressure phases and pressure-induced phase transition of MoN₆ and ReN₆

Nitrogen-rich GaN₅ and GaN₆ as high energy density materials with modest synthesis condition

Structural and Electronic Properties of Small Stoichiometric (Li₂O₂)_n Clusters and Relevance to Li–O₂ Batteries

Au₂Si₂₀: a honeycomb-shaped structure with short Au−Au single bond at the centre coordinated by twelve Si₅ pentagons and reinforced by strong Au−Si interactions and aromaticity

Superatomic properties of transition-metal-doped tetrahexahedral lithium clusters: TM@Li₁₄

Dynamical fluxionality, multiplicity of geometrical forms, and electronic properties of anionic, neutral, and cationic Ta_nSi₁₂ (n = 1–3) clusters: quantum chemical calculations

Bi₃Ge₁₂: a aromatic molecular sandwich-shaped structure with short B−B single bonds coordinated by a Ge12 hexagonal prism and reinforced by σ + π double delocalised bonding patterns