Theoretical investigation of adsorption characteristics of typical additives for zinc electroplating.

Context: Electroplated zinc layers have shown excellent corrosion resistance, especially those are stable in the atmosphere after the passivation, and therefore zinc electroplating is widely used in various fields such has mechanical, vehicle, construction, and ironware industries. Benzalacetone (BA) was reported as brighteners for zinc deposition, while polyoxyethylene nonylphenylether (NP) was used as levelers or carriers for zinc electroplating. Sodium benzoate (SB) and dispersant NNO cooperatively act as auxiliary additives.

Adsorption characteristics of citric acid on Fe3O4 (001), (011), and (111) surfaces.

Magnetite (001), (011), and (111) surfaces were the focus of our study. Magnetite (001) surface has two different terminations, that is, Fe and 2Fe4O. Magnetite (011) surface has two different terminations, that is, 2Fe4O and 2Fe2Fe4O.

Ab initio study of photocatalytic characteristics of graphitic carbon nitride assisted by oxalic acid.

Using density functional theory, structural, electronic, and optical properties of GCN (graphitic carbon nitride) and OAGCN (graphitic carbon nitride combined with oxalic acid) were studied. By comparing HOMOs and LUMOs and excitonic binding energies, OAGCN has lower photoinduced electron-hole recombination rate than GCN. VBM and CBM levels of GCN and OAGCN were calculated, which shows that for GCN, only the electron at CBM contributes to produce radicals for removing pollutants, and for OAGCN, both the electron at CBM and the hole at VBM contribute to produce radicals for removing pollutants.