First-principles identification of iodine exchange mechanism in iodide ionic liquid Read More » December 22, 2025
Anatase TiO 2 nanoparticles synthesis via simple hydrothermal route: Degradation of Orange II, Methyl Orange and Rhodamine B Read More » December 22, 2025
Promotion of oxygen reduction by a bio-inspired tethered iron phthalocyanine carbon nanotube-based catalyst Read More » December 22, 2025
Small Pd cluster adsorbed double vacancy defect graphene sheet for hydrogen storage: A first-principles study Read More » December 22, 2025
Optical and vibrational properties of hydrogenated BN-sheet: First principles study Read More » December 22, 2025
Amino-functionalized graphene quantum dots: Origin of tunable heterogeneous photoluminescence Read More » December 22, 2025
Rules of boron-nitrogen doping in defect graphene sheets: A first-principles investigation of band-gap tuning and oxygen reduction reaction catalysis capabilities Read More » December 22, 2025
A first-principles investigation of oxygen reduction reaction catalysis capabilities of As decorated defect graphene Read More » December 22, 2025
Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: The role of dopant and water in activity and catalytic de-poisoning Read More » December 22, 2025
Ab initio study of thin oxide-metal overlayers as an inverse catalytic system for dioxygen reduction and enhanced CO tolerance Read More » December 22, 2025
