2D Metal-Free BSi₄ with an Intrinsic Metallicity and Remarkable HER Activity

Semiconducting Bilayer Borophene with High Carrier Mobility

Unconventional Self-Reconstructed Trimer-like Metal Zigzag Edge of 1T-Phase Transition Metal Dichalcogenides

Adaptive Design of Alloys for CO₂ Activation and Methanation via Reinforcement Learning Monte Carlo Tree Search Algorithm

Two-Dimensional Tri-Hex Carbon: A Promising, Efficient, and Acid-Resistant Photocatalyst for Water Splitting

Exchange field enhanced upper critical field of the superconductivity in compressed antiferromagnetic EuTe₂

Theoretical exploration of high-pressure crystal structures and valence states in the Li–Cl system

An unexpectedly stable Y₂B₅ compound with the fractional stoichiometry under ambient pressure

Identifying magic-number structures of supported sub-nano Ni clusters and the influence of hydrogen coverage: a density functional theory based particle swarm optimization investigation

C₄S Nanosheet: A Potential Anode Material for Potassium-Ion Batteries