Predicted superhard phases of Zr-B compounds under pressure

Novel structures of two-dimensional tungsten boride and their superconductivity

Tetragonal and trigonal Mo₂B₂ monolayers: two new low-dimensional materials for Li-ion and Na-ion batteries

Computational discovery and characterization of new B₂O phases

Metallic and Anti-metallic Properties in Strongly Covalently Bonded Energetic AlN5 Nitride

Structural Evolution and Electronic Properties of CoSi_n−(n = 3-12) Clusters: Mass-Selected Anion Photoelectron Spectroscopy and Quantum Chemistry Calculations

Evidence of the O-Pd-O and Pd-O4 Structure Units as Oxide Seeds and Their Origin on Pd(211): Revealing the Mechanism of Surface Oxide Formation

Exhaustive exploration of MgBn (n = 10–20) clusters and their anions

Intrinsic magnetism and biaxial strain tuning in two-dimensional metal halide V3X8 (X= F, Cl, Br, I) from first principles and Monte Carlo simulation

Dynamical fluxionality, multiplicity of structural forms, and electronic properties of B₃Si₁₁ cluster: anion photoelectron spectroscopy and theoretical calculations