Boron-terminated diamond (100) surfaces with promising structural and electronic properties

Predicted stable Li5P2 and Li4P at ambient pressure: novel high performance anodes for lithium-ion batteries

Prediction of new thermodynamically stable ZnN₂O₃ at high pressure

A quasi-plane IrB₁₈^- cluster with high stability

Predicted CsSi Compound: A Promising Material for Photovoltaic Applications

The teetotum cluster Li₂FeB₁₄ and its possible use for constructing boron nanowires

A Novel SiO Monolayer with Negative Poisson's Ratio and Dirac Semimetal properties

Two dimensional ruthenium carbide: structural and electronic features

Prediction of a novel robust superconducting state in TaS₂ under high pressure

Appearance of V-encapsulated tetragonal prism motifs in VSi10¯ and VSi11¯ clusters