Study adsorption ability of pure single walled carbon nano tube to detection some toxic gases using DFT calculation

Design of Highly Sensitive NO2 Gas Sensors Based on Boron Nitride and Aluminum Nitride Two-Dimensional Materials: A DFT-Based Study

Tuning the Optoelectronic and Photovoltaic Properties of Natural Chlorophyll Dye Molecules via Solvent Interaction: A Computational Insight

Synergy between adsorption and bio-degradation of real wastewater polycyclic aromatic hydrocarbons (PAHs) by laccase immobilized on pineapples waste activated carbon …

Defect and solvent engineering of optoelectronic response in 2D materials: A DFT study on graphene, silicon carbide, and boron nitride for solar cell sensitizers

Design High Light Harvesting Device from Two-Dimension Materials: A DFT Investigation Principle