Structure evolution of nanodiamond aggregates: a SANS and USANS study.

Ultra-small-angle neutron scattering (USANS) and small-angle neutron scattering (SANS) measurements, covering length scales from micrometres to nanometres, were made to investigate the structure of nanodiamonds (NDs) and their suspensions. These nanodiamonds were produced by two different techniques, namely by the detonation method and by the laser ablation of a carbon-hydro-carbon mixture. The (U)SANS results indicated the presence of structures four orders of magnitude larger than the dimensions of a single ND particle, consisting of aggregations of ND particles. This aggregation of the ND particles was studied by employing the contrast variation technique. Two different solvents, namely H2O and dimethyl sulfoxide (and their deuterated counterparts), were used to understand the role of hydrogen in the shape and size of the aggregates. The analysis of experimental data from SANS measurements also reveals the ND particles to have an ellipsoidal structure. Using a defined shape model and the SANS contrast variation technique, it was possible to characterize the non-diamond outer shell of the particles and determine the outer layer thickness. This clarification of the structure of the NDs will allow better preparation of suspensions/samples for various applications. Understanding the structure of NDs at multiple length scales also provides crucial knowledge of particle-particle interaction and its effect on the aggregation structures.

Study of Morphology and Optical Properties of Gold Nanoparticle Aggregates under Different pH Conditions.

Gold nanoparticle (GNP) aggregation has a strong influence on the plasmonic resonance and hence the effectiveness in various photothermal applications. In relation to this, a comprehensive numerical model is developed to simulate and characterize the GNP aggregation process at various particle volume fractions and base fluid pH levels. Computational fluid dynamics techniques are utilized to model the base fluid, whereas discrete phase modeling is adopted in determining the nanoparticle trajectories. Two-way coupling is implemented to handle the particle-fluid interactions. Discrete dipole approximation approach is utilized to further examine the absorption and scattering efficiency of various GNP aggregate structures. At lower particle volume fraction, short chain-like structures are formed in the particle aggregation process, with a more complex interconnected "particle network" structure formed at higher particle volume fractions. With the three base fluid pH levels investigated, GNP aggregates are more compact with larger fractal dimensions and higher mean coordination numbers at pH = 3.5, whereas a more "loose" structure formed at pH = 6.7 and 9.4 because of larger electrostatic repulsive forces as a result of changes in the zeta potential and Debye length of the GNPs. Among the typical GNP aggregate structures characterized in this paper, the chain-like tetramer demonstrates the highest absorption efficiency of 1.83 at 700 nm wavelength-comparable to the plasmonic resonance of a nanorod-which lies in the optical window of biological tissue. Predictions of GNP optical properties are found to be in good agreement with the published experimental data.