Computational Design of a Two-Dimensional Copper Carbide Monolayer as a Highly E

New Halide-Based Sodium-Ion Conductors Na₃Y₂Cl₉ Inversely Designed by Building B

A two-dimensional tetragonal structure of vanadium telluride

Monolayer and bilayer AsC₅ as promising anode materials for Na-ion batteries

Pressure-induced superconductivity in the nonsymmorphic topological insulator KH

Pressure-induced enhancement of thermoelectric performance of CoP₃by the structu

Prediction of novel ordered phases in U-X (X= Zr, Sc, Ti, V, Cr, Y, Nb, Mo, Hf,

Intrinsic dense twinning via release of native strain

A first-principles study of functionalization effects on mechanical stability and electronic structure of Mo₂B₂ monolayers

Exploitation of mixed-valency chemistry for designing a monolayer with double fe