A theoretical study of atmospheric pollutant NO₂ on as-doped monolayer WS₂ based on DFT method

For the relevant properties of pristine and doped (Si, P, Se, Te, As) monolayer WS₂ before and after the adsorption of CO, CO₂, N₂, NO, NO₂ and O₂, density functional theory (DFT) calculations are made. Calculation results reveal that the monolayer WS₂ doped with P and As atoms...

Carbon Dots Embedded in Cellulose Film: Programmable, Performance-Tunable, and Large-Scale Subtle Fluorescent Patterning by in Situ Laser Writing

Fluorescent patterns with multiple functions enable high-security anti-counterfeiting labels. Complex material synthesis and patterning processes limit the application of multifunctional fluorescent patterns, so the technology of in situ fluorescent patterning with tunable multimodal capabilities is becoming more necessary. In this work, an...

Germanene on single-layer ZnSe substrate: Novel electronic and optical properties

In this work, the structural, electronic and optical properties of germanene and ZnSe substrate nanocomposites have been investigated using first-principles calculations. We found that the large direct-gap ZnSe semiconductors and zero-gap germanene form a typical orbital hybridization heterostructure with a strong binding energy, which shows...

High-Density Microporous Li₄Ti₅O₁₂ Microbars with Superior Rate Performance for Lithium-Ion Batteries

Nanosized Li₄Ti₅O₁₂ (LTO) materials enabling high rate performance suffer from a large specific surface area and low tap density lowering the cycle life and practical energy density. Microsized LTO materials have high density which generally compromises their rate capability. Aiming at combining the favorable...