DFT study of mercury adsorption on Al2O3 with presence of HCl
Ao Shen, Xiaoshuo Liu, Haiyang Li, Yufeng Duan
Topics & Concepts
ChemistryAdsorptionChemisorptionGibbs free energyMercury (programming language)Activation energyPhysical chemistryMulliken population analysisMoleculeInorganic chemistryReaction mechanismDensity functional theoryComputational chemistryCatalysisOrganic chemistryThermodynamicsComputer sciencePhysicsProgramming languageMercury impact and mitigation studiesnanoparticles nucleation surface interactionsAtmospheric chemistry and aerosols