Mikroskopska i teorijska studija adsorpcije boje Indocijanin zeleno na površini nanočestica srebra ; TEM and DFT study of Indocyanine green adsorption on a silver nanoparticle surface

U ovom radu, transmisionom elektronskom mikroskopijom (TEM) i teorijskim proračunom (DFT), izučavana je adsorpcija boje Indocijanin zeleno (ICG) na površini nanočestica srebra (AgNPs). Studija je pokazala da su dobijene hibridne nanočestice sastava Ag-jezgro-ICG-omotač. TEM merenjima potvrđeno je formiranje omotača boje oko AgNPs debljine ~ 3 do 4 nm, dok su HRTEM merenja pokazala mikrostrukturne promene AgNPs usled adsorpcije boje ICG. Teorijskim proračunom utvrđeno je da se molekul ICG boje vezuje kovalentno za atom Ag, na površini AgNPs, preko svoje SO3− grupe. ; Here we present the TEM and DFT study of hybrid nanoparticles consisting of an Ag core and Indocyanine green (ICG) shell. TEM measurements revealed the formation of a distinctive ~ 3 to 4 nm thick halo around the particles, while HRTEM measurements show microstructural changes in NPs. The DFT calculations were used to investigate the energetics of interaction between ICG molecule and Ag-surface. The obtained data indicate a strong interaction between Ag-atom from NPs surface and SO3− group of ICG molecule. ; 59th Meeting of the Serbian Chemical Society; June 1-2, 2023, Novi Sad, Serbia