Identifying the Ground-State NP Sheet through a Global Structure Search in Two-Dimensional Space and Its Promising High-Efficiency Photovoltaic Properties

Auxetic B₄N Monolayer: A promising 2D material with In-Plane Negative Poisson’s Ratio and Large Anisotropic Mechanics

New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd³⁺ Doped Y₃Al₅O₁₂

Computational Design of Mixed-Valence Tin Sulfides as Solar Absorbers

Polyethylene glycol (PEG)-Na+ Interface of Vanadium Hexacyanoferrate Cathode for Highly Stable Rechargeable Aqueous Sodium-Ion Battery

Pressure-induced band-gap closure and metallization in two-dimensional transition metal halide CdI₂

Two-dimensional Blue-AsP Monolayers with Tunable Direct Band Gap and Ultrahigh Carrier Mobility Show Promising High-performance Photovoltaic Properties

Room temperature ferromagnetism and antiferromagnetism in two-dimensional iron arsenides

MnX (X = P, As) monolayers: a new type of two-dimensional intrinsic room temperature ferromagnetic half-metallic material with large magnetic anisotropy

Predicting two-dimensional semiconducting boron carbides