Versatile two-dimensional boron monosulfide polymorphs with tunable bandgaps and superconducting properties

Sn_xP_y Monolayers: a New Type of Two-Dimensional Materials with High Stability, Carrier Mobility, and Magnetic Properties

Predicting a new Graphene derivative C₃H as potential photocatalyst for water splitting and CO₂ reduction

Strain effect on the mechanical and electronic properties of graphene-like B₄P₄C₄ and B₂P₂C₈: first-principles calculation

Ultra-incompressibility and high energy density of ReN₈ with infinite nitrogen chains

Theoretical design of Two-Dimensional Carbon Nitrides

Exploration of stable stoichiometries, ground-state structures, and mechanical properties of the W–Si system

Growth mechanism and electronic and magnetic properties of Ag_nTi alloy clusters

Exploration of novel High-Pressure Structures of Hf₂O₃

A theoretical insight into the microstructure and electronic properties of Ho³⁺-doped potassium gadolinium tungstate