Bandgaps of noble and transition metal/ZIF-8 electro/catalysts: a computational study
Alireza Baghban, Sajjad Habibzadeh, Farzin Zokaee Ashtiani
Abstract
, electrocatalytic hydrogen evolution reaction or catalytic hydrogenation reaction, through a simple approach.
Topics & Concepts
Zeolitic imidazolate frameworkDopantMaterials scienceCatalysisNoble metalElectrocatalystDensity functional theoryBand gapTransition metalImidazolateNanostructureHydrogen storageDopingNanotechnologyChemical engineeringMetal-organic frameworkElectrochemistryPhysical chemistryMetalInorganic chemistryComputational chemistryChemistryOptoelectronicsOrganic chemistryMetallurgyAdsorptionEngineeringAlloyElectrodeMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceMXene and MAX Phase Materials