Unveiling the potential of graphene and S-doped graphene nanostructures for toxic gas sensing and solar sensitizer cell devices: insights from DFT calculations

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

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

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

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