Adsorption behavior of different cresols on bismuthene: a DFT study
Ukkasha Iqrar, Usman Masood, Saleh S. Alarfaji, Tahir Iqbal, Abdul Majid, Muhammad Isa Khan
Abstract
Phenolic compounds present in wastewater were utilized for first-principle calculations based on DFT to observe adsorption effects.
Topics & Concepts
AdsorptionChemical engineeringWastewaterMaterials scienceChemistryComputational chemistryPhysical chemistryEnvironmental scienceEnvironmental engineeringEngineeringAdvanced Chemical Physics StudiesZeolite Catalysis and SynthesisThermal Expansion and Ionic Conductivity