High-pressure phases of boron arsenide with potential high thermal conductivity

Synthesis and stability of tantalum hydride at high pressures

First-principles study of crystal structures and superconductivity of ternary YSH₆ and LaSH₆ at high pressures

Phase diagrams and electronic properties of B-S and H-B-S systems under high pressure

Pressure-induced polymorphism in SrB₆ and deformation mechanisms of covalent networks

Unravelling the structure and strength of the highest boride of tungsten WB_4.2

Metastable Li_1+δMn₂O₄ (0 ≤ δ ≤ 1) Spinel Phases Revealed by in Operando Neutron Diffraction and First-Principles Calculations

Li^{+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme}

Stoichiometric evolutions of PH₃ under high pressure: implication for high Tc superconducting hydrides

A Hypervalent and Cubically Coordinated Molecular Phase of IF8 Predicted at High Pressure