A rational design of covalent organic framework supported single atom catalysts for hydrogen evolution reaction: A DFT study
Maria Younas, Muhammad Yar, Hamad AlMohamadi, Tariq Mahmood, Khurshid Ayub, Asim Laeeq Khan, Muhammad Yasin, Mazhar Amjad Gilani
Topics & Concepts
CatalysisDensity functional theoryFossil fuelGibbs free energyRenewable energyHydrogen fuelHydrogen storageCovalent bondNanotechnologyHOMO/LUMOHydrogenMaterials scienceChemistryOrganic chemistryComputational chemistryMoleculeThermodynamicsPhysicsElectrical engineeringEngineeringElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesCovalent Organic Framework Applications