The scandium doped boron cluster B₂₇Sc₂⁺: a fruit can-like structure

Unveiling the electronic structures and ligation effect of the superatom-polymeric zirconium oxide clusters: a computational study

Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries

Effects and Distribution of Zr Introduced in Ni-based Cathode Material for Li-ion Batteries

Theoretical investigation of the valence states in Au via the Au-F compounds under high pressure

Transition from exohedral to endohedral geometries of anionic and neutral B₄Sin (n = 4–15) clusters: quantum chemical calculations

NbB₁₂^-: A new member of half-sandwich type doped boron clusters with high stability

Atomically thin NiB₆ monolayer: a robust Dirac material

Theoretical investigation of the cation antisite defect in layer-structured cathode materials for Li-ion batteries

Mechanical properties and superconductivity in two-dimensional B₂O under extreme strain