Litcius/Paper detail

Phenol adsorption mechanism on the zinc oxide surface: Experimental, cluster DFT calculations, and molecular dynamics simulations

Younes Dehmani, Hassane Lgaz, Awad A. Alrashdi, Taibi Lamhasni, Sadik Abouarnadasse, Ill‐Min Chung

2020Journal of Molecular Liquids58 citationsDOI

Topics & Concepts

AdsorptionMolecular dynamicsZincChemistryPhenolDensity functional theoryFourier transform infrared spectroscopyComputational chemistryMoleculeChemisorptionOxideInorganic chemistryChemical engineeringPhysical chemistryOrganic chemistryEngineeringAdsorption and biosorption for pollutant removalCoagulation and Flocculation StudiesCovalent Organic Framework Applications
Phenol adsorption mechanism on the zinc oxide surface: Experimental, cluster DFT calculations, and molecular dynamics simulations | Litcius