Experimental and theoretical investigation of ligand effects on the synthesis of ZnO nanoparticles

ZnO nanoparticles with highly controllable particle sizes(less than 10 nm) were synthesized using organic capping ligands in Zn(Ac)2 ethanolic solution. The molecular structure of the ligands was found to have significant influence on the particle size. The multi-functional molecule tris(hydroxymethyl)-aminomethane (THMA) favoured smaller particle distributions compared with ligands possessing long hydrocarbon chains that are more frequently employed. The adsorption of capping ligands on ZnnOn crystal nuclei (where n = 4 or 18 molecular clusters of(0001) ZnO surfaces) was modelled by ab initio methods at the density functional theory (DFT) level. For the molecules examined, chemisorption proceeded via the formation of Zn...O, Zn...N, or Zn...S chemical bonds between the ligands and active Zn2+ sites on ZnO surfaces. The DFT results indicated that THMA binds more strongly to the ZnO surface than other ligands, suggesting that this molecule is very effective at stabilizing ZnO nanoparticle surfaces. This study, therefore, provides new insight into the correlation between the molecular structure of capping ligands and the morphology of metal oxide nanostructures formed in their presence

Fabrication of ZnO Thin Films from Nanocrystal Inks

Zinc oxide nanocrystals were prepared in ethanol and spin-cast to form semiconductor nanocrystal thin films that were thermally annealed at temperatures between 100 and 800 \ub0C. Particle size, monodispersity, and film porosity were determined by X-ray diffraction, ultraviolet-visible absorption spectroscopy, and spectroscopic ellipsometry, respectively. Film porosity rapidly decreased above 400 \ub0C, from 32% to 26%, which coincided with a change in electronic properties. Above 400 \ub0C, the ZnO electron mobility, determined from FET transfer characteristics, increased from 10-3 to 10-1 cm2 V s-1, while the surface resistivity, determined from electrical impedance, decreased from 107 to 103 \u3a9 m over the same temperature range. Below the densification point, nanoparticle core resistivity was found to increase from 104 to 106 \u3a9 m, which is caused by the increasing polydispersity in the quantized energy levels of the nanocrystals. From 100 to 800 \ub0C, crystallite size was found to increase from 5 to 18 nm in diameter. The surface resistance was decreased dramatically by passivation with butane thiol