Interlayer electronic coupling regulates the performance of FeN MXenes and Fe₂B₂

Superconducting Be₂SH₃ with kagome hydrogen at high pressure

Antiferromagnetic Fe₃As nanostructure with a unique planar Fe arrangement

Superconducting Li₁₁Sb₂ electride at ambient pressure

High-Tc superconductivity of polyhydride Rb₂MgH₁₈ with a layered hydrogen structure at high pressure

Mechanochemistryand the Evolutionof Ionic Bondsin DenseSilverIodide

Accelerating the Discovery of Metastable IrO2 for the Oxygen Evolution Reaction by the Self-Learning-Input Graph Neural Network

FeC₆N monolayer with ideal properties for water splitting

Semiconductive vertical graphene nanoribbons self-assembled on diamond (1 0 0) surface by oxidation: A DFT study

Novel Boron-rich Phosphides with High Hardness, Large Strain, and Magnetism