Tuning Electronic and Magnetic Properties of Mn-mullite Oxide Sub-nanoclusters via MnOn Polyhedron Units

Novel carbon polymorphs with cumulative double bonds in three-dimensional sp–sp² hybrid framework

Two-dimensional carbon dioxide with high stability, a negative Poisson's ratio and a huge band gap

Half-metallicity in a honeycomb–kagome-lattice Mg₃C₂ monolayer with carrier doping

Revealing reaction mechanisms of nanoconfined Li₂S: implications for lithium–sulfur batteries

Hexagonal Ti₂B₂ monolayer: a promising anode material offering high rate capability for Li-ion and Na-ion batteries

Two dimensional monolayer rhombic silicene on the diamond (111) surface

Novel triadius-like N4 specie of iron nitride compounds under high pressure

Structures of WxNy Crystals and Their Intrinsic Properties: First-Principles Calculations

Low-energy 3D sp₂ carbons with versatile properties beyond graphite and graphene