Crystal and Electronic Structures of Palladium Sesquichalcogenides

BC₆P Monolayer: Isostructural and Isoelectronic Analogues of Graphene with Desirable Properties for K‐Ion Batteries

Superhard carbon-rich CeN compounds hidden in compression of the mixture of carbon black and tetracyanoethylene

Pre-doping iodine to restrain formation of low-active graphitic-N in hard carbon for significantly boosting sodium storage performance

Effective CO Migration among Multiabsorbed Sites Achieves the Low-Barrier and High-Selective Conversion to C2 Products on the Ni₂B₅ Monolayer

First-Principles Study of Microscopic Electrochemistry at the LiCoO₂ Cathode/LiNbO₃ Coating/β-Li₃PS₄ Solid Electrolyte Interfaces in an All-Solid-State Battery

Two-Dimensional Planar BGe Monolayer as an Anode Material for Sodium-Ion Batteries

Two-Dimensional Boron-Rich Monolayer B_xN as High Capacity for Lithium-Ion Batteries: A First-Principles Study

Janus Mo₂P₃ Monolayer as an Electrocatalyst for Hydrogen Evolution

Two-dimensional IrN₂ monolayer: An efficient bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions