Structural and electronic properties of predicting two-dimensional BC₂P and BC₃P₃ monolayers by the global optimization method

Seventeen-coordinate binary metal superatoms: M@Li17

Geometries, stabilities, and magnetic properties of Co₂B_n (n = 1–10) clusters

Rg_nBe₃B₃⁺: theoretical investigation of Be₃B₃⁺ and its rare gas capability

Computational Dissection of 2D SiC₇ Monolayer: A Direct Band Gap Semiconductor and High Power Conversion Efficiency

Pressure-induced formation of bulk Ge-Sn compounds with high concentration of Sn

First-principles prediction of three new graphitic C₃N₄ allotropes with potentials for application in sun-light-driven water splitting

Possible low-energy isomers of OHn(H₂O)₄ (n = 0, ±1) clusters via the particle swarm optimization algorithm: An ab initio study

The structures, stabilities and electronic properties of Pd_nB (n = 1-10) clusters

Substrate-induced half-metallic property in epitaxial silicene