Stability and mechanical properties of W_1−xMo_xB_4.2 (x = 0.0–1.0) from first principles

Two-dimensional metal-free boron chalcogenides B₂X₃ (X = Se and Te) as photocatalysts for water splitting under visible light

Low-Pressure Electrochemical Synthesis of Complex High-Pressure Superconducting Superhydrides

Edge reconstructions of black phosphorene: a global search

Ag₂S monolayer: an ultrasoft inorganic Lieb lattice

Unconventional distortion induced two- dimensional multiferroicity in a CrO₃ monolayer

Predicted Stable Structures of the Li−Ag System at High Pressures

Pressure-Induced Evolution of Crystal and Electronic Structure of Ammonia Borane

Anisotropic Janus SiP₂ Monolayer as a Photocatalyst for Water Splitting

Ba with Unusual Oxidation States in Ba Chalcogenides under Pressure