Two-Dimensional C4N Global Minima: Unique Structural Topologies and Nanoelectronic Properties

First-Principles Predictions of Phase Transition and Mechanical Properties of Tungsten Diboride under Pressure

Unexpected Odd-Even Oscillation in the Enhanced Chemical Activities of the Ru_n (n=2-14) Nanoclusters for H₂O Adsorption and Splitting

Probing the Interactions of O₂ with Small Gold Cluster Au_n^Q (n = 2-10, Q = 0, -1): A Neutral Chemisorbed Complex Au₅O₂ Cluster Predicted

Ground-State Structure of YN₂ Monolayer Identified by Global Search

Nitrophosphorene: A 2D Semiconductor with Both Large Direct Gap and Superior Mobility

Anion Photoelectron Spectroscopy and Theoretical Investigation on Nb₂Si_n^–/0 (n = 2–12) Clusters

Tetragonal Structure BC₄ as a Superhard Material

A Novel Polymerization of Nitrogen in Beryllium Tetranitride at High Pressure

A reconstructed anatase (001)-1 x 4 reconstructed surface and its reactivity