Pressure-driven significant phonon mode softening and robust superconductivity in layered germanium phosphide

Ultrahigh capacity 2D anode materials for lithium/sodium-ion batteries: an entirely planar B₇P₂ monolayer with suitable pore size and distribution

Prediction of room-temperature ferromagnetism and large perpendicular magnetic anisotropy in a planar hypercoordinate FeB₃ monolayer

Computational Discovery of Stable Heteroanionic Oxychalcogenides ABXO (A, B = Metals; X = S, Se, and Te) and Their Potential Applications

Surface-Dependent Stability of the Interface between Garnet Li7La₃Zr₂O₁₂ and the Li Metal in the All-Solid-State Battery from First-Principles Calculations

BCN-Encapsulated Nano-nickel Synergistically Promotes Ambient Electrochemical Dinitrogen Reduction

Highly Stable Two-dimensional Iron Monocarbide with Planar Hypercoordinate Moiety and Superior Li-ion Storage Performance

Strain-Controllable High Curie Temperature, Large Valley Polarization, and Magnetic Crystal Anisotropy in a 2D Ferromagnetic Janus VSeTe Monolayer

Three-Dimensional Topotactic Host Structure Secured Ultra-Stable VP-CNOs Composite Anode for Long Lifespan Lithium and Sodium Ion Capacitors

RuN2 Monolayer: A Highly Efficient Electrocatalyst for Oxygen Reduction Reaction