Superconductive Sodium Carbides with Pentagon Carbon at High Pressures

Anisotropic and High-Mobility C₃S Monolayer as a Photocatalyst for Water Splitting

Two-Dimensional Fe8N Nanosheets: Ferromagnets and Nitrogen Diffusion

Wide Band Gap P₃S Monolayer with Anisotropic and Ultrahigh Carrier Mobility

Efficient DFT Solver for Nanoscale Simulations and Beyond

Stable Structures and Superconductivity in a Y−Si System under High Pressure

Au with sp³ Hybridization in Li₅AuP₂

SiCP₄ Monolayer with a Direct Band Gap and High Carrier Mobility for Photocatalytic Water Splitting

Arsenic carbide allotropes prediction: An efficient platform for hole-conductions, optical and photocatalysis applications

Passivated 2D Janus borophene as unique Dirac anodes for Na- and K-ion batteries: A first-principle investigation