Structural Reconstruction Modulated Physical Properties of Titanium Oxide at the Monolayer Limit

New Transformation Pathway of cg-N from HeN₄ under Moderate Pressure

Unleashing the Potential of Strain-Engineered Ferroelectric Oxynitrides for Optimal Photovoltaic Performance

A semiconductor Sc₂S₃ monolayer with ultrahigh carrier mobility and UV blocking filter application

First-principles study of the structures and superconductivity of H-S-La systems under high pressure

2D antiferromagnetic semiconducting FeCN with interesting properties

A Janus CrSSe monolayer with interesting ferromagnetism

Prediction of a planar BxP monolayer with inherent metallicity and its potential as an anode material for Na and K-ion batteries: a first-principles study

Mimicking the C₂ molecule: M₂B₂ and M₃B₂+ clusters (M = Li, Na) and the reactivity of the N-heterocyclic carbene bound Li₂B₂ complex

B₃S₂ monolayer as an anode material for Na/K-ion batteries: a first-principles study