机译:Adsorption of Various Monoterpenoids on the Surface of Graphene and Nitrogen-Doped Graphene: A DFT Based Study
Arya Vidyapeeth Coll, Dept Chem, Gauhati 781016, Assam, India;
Indian Inst Technol Guwahati, Dept Chem, Gauhati 781039, Assam, India;
Adsorption; BSSE and Dispersion Correction; Density Functional Theory; Graphene and Nitrogen-doped Graphene; Terpenoids; XAD-4 XAD-7; ELECTRONIC-STRUCTURE PRINCIPLES; DENSITY-FUNCTIONAL THEORY; CARBON NANOTUBES; CHEMICAL-REACTIVITY; POLYMERIC RESINS; ACTIVATED CARBON; 1ST PRINCIPLES; AB-INITIO; POLLUTANTS; FLAVONOIDS;