Experimental and ab initio studies of enhance photocatalytic efficiency of La-doped ZnO/g-C3N4 nanocomposites for bromothymol blue dye degradation

• DOI: 10.1016/j.nxmate.2024.100212
• Publication Date: 2024-04-21T03:35:59Z
• Authors: Moro Haruna; Charles Kwame Bandoh; Eric Selorm Agorku; Francis Opoku; Noah Kyame Asare–...; Anthony Apeke Adi...
• Keywords: Graphitic carbon nitride; Visible spectrum; Charge carrier; Bromothymol blue

The ability of photocatalysis to clean up environmental contamination, notably in the treatment water and air, has received extensive research. composite materials synthesized by coprecipitation method were made ZnO graphitic carbon nitride (g-C3N4) with various concentrations lanthanum doping (La-ZnO). It was discovered that La metal ions evenly distributed throughout layered stacking structures nanosheet, which had an impact on band structure increased rate electron-hole separation visible light absorption. First-principles calculations show La-doped ZnO-gC3N4 possesses a direct gap type-II conduction minimum valence maximum located separate layers. A built-in electric field from gC3N4 been established through analysis charge density difference, Bader charge, work function, alignment. pair becomes spatially separated as result, increases photodegradation activity. High interfacial transfer, efficient migration, high optical absorbance caused coating ultra-thin g-C3N4 layer. 0.6 % degraded 97 bromothymol blue (BB) dye, four times higher than bulk ZnO, could remove only about 21 dye at same time. combined effects lower photo corrosion, solar usage owing hollow heterostructured semiconductor contribute this photocatalytic capacity ZnO/g-C3N4 nanocomposite effectively break down BB via suggests it potential address problems associated pollution systems.