Silicon carbide, First-principles calculations, Electronic structures, Mechanical properties
New carbon structure, First-principles calculations, Semiconductor materials, Stability, anisotropism
first-principles, SnS2, High pressure, Elastic properties, Optical Properties
Carrier effective mass, Phonon behavior, Vibration characteristics, Lithium-sulfur (Li-S) batteries
Orthogonal Silicon, first principles, Mechanical properties, optoelectronic properties, Ultraviolet devices
CO2 reduction reaction, Metal-organic framework materials, Screening criteria, Electronic property analysis