Semiconducting SN₂ monolayer with three-dimensional auxetic properties: a global minimum with tetracoordinated sulfurs

Li₂B₂₄: the simplest combination for a three-ring boron tube

Ground-state structure of oxidized diamond (100) surface: An electronically nearly surface-free reconstruction

Superhard conductive orthorhombic carbon polymorphs

Orthorhombic C14 carbon: A novel superhard sp³ carbon allotrope

B₁₀M₂ (M=Rh, Ir): Finally a stable boron-based icosahedral cluster

Structural, Mechanical and Electronic Properties Study on Group VB Transition Metal Ternary Mononitrides from First-Principles Calculations

2D Boron Dichalcogenides from the Substitution of Mo with Ionic B₂ Pair in MoX₂(X = S, Se and Te): High Stability, Large Excitonic Effect and High Charge Carrier Mobility

Prediction of phonon-mediated superconductivity in two-dimensional Mo₂B₂

Prediction of superhard B₂N₃ with two-dimensional metallicity