Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an Explicit Interface Model

M-graphene: A metastable two-dimensional carbon allotrope

Minimum Co content limit in layer-structured cathode materials for Li-ion batteries

Superconductivity in predicted two dimensional XB₆ (X = Ga, In)

Kagome-like group-VA monolayers with indirect–direct band gap transition and anisotropic mobility

Polymorphism of low dimensional boron nanomaterials driven by electrostatic gating: a computational discovery

Predicted 2D ferromagnetic Janus VSeTe monolayer with high Curie temperature, large valley polarization and magnetic crystal anisotropy

Superconducting Zirconium Polyhydrides at Moderate Pressures

New Pressure Stabilization Structure in Two-Dimensional PtSe₂

Chemically Tuning Stability and Superconductivity of P–H Compounds