Morphological control of energetic materials (EM) is highly desired because ill-defined morphology arising from variations in processing method and supplier make it impossible to reproducibly engineer their physicochemical properties. As the most powerful, non nuclear energetic material to date, 2,4,6,8,10,12-hexanitro -2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) has been the subject of significant interest for improved applications in military grade explosives. Here we report a new method for recrystallization of CL-20 from irregular bulk EMs using a surfactant assisted self-assembly process to produce uniform spherical micron-sized particles. Detailed electron microscopy studies indicate that surfactant plays a critical role in controlling CL-20 morphology. Combined X-ray diffraction and Raman spectroscopy results reveal that the resultant spherical CL-20 particles exhibit an orthorhombic β-phase crystal structure. This material is expected to display enhanced functional reproducibility due to its monodisperse nature as well as decreased shock sensitivity due to their sub-micron particle size.

A new quantum dot synthesis method based on metallic-block copolymer precursors was developed. The synthesis produced CdS QDs assembled into chains. This method provides a new model for the study of 1D QD chains to determine its effect on charge transport and optoelectronic coupling. This synthesis method was readily extended to other semiconductor materials including PbS and perovskites producing QDs of various shapes. It evidenced further promise of this synthesis method to assist in the assembly, shape and size control of various nanomaterials

Layered transition metal dichalcogenides (TMDs) represent a diverse, emerging source of two-dimensional (2D) nanostructures with broad application in optoelectronics and energy. Chemical functionalization has evolved into a powerful tool to tailor properties of these 2D TMDs; however, functionalization strategies have been largely limited to the metallic 1T-polytype. The work herein illustrates that 2H-semiconducting liquid-exfoliated tungsten disulfide (WS2) undergoes a spontaneous redox reaction with gold (III) chloride (AuCl3). Au nanoparticles (NPs) predominantly nucleate at nanosheet edges with tuneable NP size and density. AuCl3 is preferentially reduced on multi-layer WS2 and resulting large Au aggregates are easily separated from the colloidal dispersion by simple centrifugation. This process may be exploited to enrich the dispersions in laterally large, monolayer nanosheets. It is proposed that thiol groups at edges and defects sides reduce the AuCl3 to Au0 and are in turn oxidized to disulfides. Optical emission, i.e. photoluminescence, of the monolayers remained pristine, while the electrocatalytic activity towards the hydrogen evolution reaction is significantly improved. Taken together, these improvements in functionalization, fabrication, and catalytic activity represent an important advance in the study of these emerging 2D nanostructures.

The cadmium telluride (CdTe) photovoltaic (PV) comprise an efficient and cost-effective technology for harvesting solar energy. However, device efficiency remains limited in part by low-open circuit voltage (VOC) and fill factor (FF) due to inefficient transport of photo-generated charge carriers. Given the deep valence band of CdTe, the use of copper/gold (Cu/Au) as a back contact serves primarily to narrow the width of the inherent Schottky junction evident in CdTe solar cells (in our laboratory, Cu/Au has been used as a standard back contact). For efficient transport of carriers to and into the back contact, a hole transport layer (HTL) is desired with valence band edge comparable to that of CdTe (∼ -5.9 eV). Here, we report solution-processed nanocrystal (NCs) based thin films as HTLs in CdTe solar cells. The earth abundant materials we discuss include iron pyrite (FeS2), nickel-alloyed iron pyrite (NixFe1-xS2), zinc copper sulfide (ZnxCu1-xS) nanocomposites, and perovskite-based films. The FeS2 and NixFe1-xS2 NCs are synthesized by a hot-injection route, and thin films are fabricated by drop-casting, and spin-coating techniques using colloidal NCs. ZnxCu1-xS thin films are fabricated by chemical bath deposition. These NC-based thin films are applied and studied as the HTLs in CdTe devices. On using these materials, the device performance can be increased up to 10% compared to the standard Cu/Au back contact. Here, we discuss the benefits, challenges, and opportunities for these back contact materials in CdTe photovoltaics.

Due to its excellent optical properties, gold nanomaterials with anisotropic morphology are playing an important role in biomedical applications, specifically in the use of Surface Enhanced Raman Spectroscopy (SERS) technique for biological assays. In this work, we verified the behavior of the star shape nanoparticle peaks obtained by chemical synthesis (precursor reactant: HAuCl4, cationic surfactant: CTAB) and whose peaks were formed from the different concentrations of gold seeds (55, 65, 75 and 85 ul) which were added to the total solution (5.275 ml). The shape and size of the nanoparticles was verified with a Hitachi S-5500 microscope with a BF & DF SEM / STEM detector, and for the diameter distribution (hydrodynamic) was carried out by the dynamic light distribution technique with a Malvern DLS system Zetasizer Nano ZS. Particle sizes (peak-to-peak considering) were obtained with variations from 107 to 166 nm. The results suggest adding 75 ul of gold seeds to obtain uniform nanostars with well defined peaks. These gold nano-stars could be applied for identification of specific membrane markers for the study of different types of cancer by the SERS technique.

The effects of Ag nanoparticles on microorganisms and the antimicrobial mechanism has recently been validated for different microbiological strains, as well as their cytotoxic effect in in vitro cellular models. In this work we report the synthesis of Ag nanoparticles using the extract of Eichhornia crassipes as reducing agent, and evaluated its antimicrobial activity with Escherichia coli. The morphology, size and inhibition properties of the nanoparticles as a function of the reduction time in the chemical synthesis were analyzed. The characterization was carried out by UV-Vis spectrophotometry and transmission electron microscopy. Nanoparticles with average diameters of 40 nm ± 10 nm were obtained and their antimicrobial activity with higher inhibition in Escherichia coli was recorded with the nanoparticle samples obtained at 120 min. These results suggest that Ag nanoparticles can be used as effective growth inhibitors in various microorganisms, making them applicable to various medical devices and antimicrobial control systems by modifying their concentration.

Recently the use of nanomaterials for the diagnosis and detection of malignant diseases has increased due to the versatility and properties of these nanostructures. For this work 60 nm commercial gold nanoparticles (TED PELLA inc.) and Nanostars manufactured by chemical synthesis (precursor reagent: HAuCl4, cationic surfactant: CTAB) of 117 nm were used for coating. Malachite green Isotyocianate (MGITC), mPEG-SH and ortho-pyridyldisulfide-polyethylene glycol-N-succinimidyl propionate (OPSS-PEG-NHS) was used. A SERS active nanoparticle complex was obtained by addition of a solution of MGITC to the gold nanoparticles colloidal solution in a 1:6 ratio. Later, an mPEG-SH solution was added to the mix. The nanoparticle-MGITC-mPEG-SH complex stability was revised using a UV-Vis spectrophotometer and a JEOL JEM 1000 transmission electron microscope. The SERS spectra were registered with a Raman Thermoscientific DXR microscopy system. Amplified bands associated with OPSS-PEG-NHS were identified in 389, 622, 859, 929, 1080, 1283, 1360, 1443, 1490 and 1450 cm-1. The results indicate that through this methodology it is possible to identify gold nanomaterials coated with polymer through the Raman technique. In addition, greater amplification is observed with the use of nanostars compared to gold spheres. Finally, these nanomaterials are available for the marking of specific membrane for the study of different types of cancer by the SERS technique.

Motivated by an experimental finding on the density of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric ensemble. Cooling and heating cycles at different isobars and isothermal compression at different temperatures are performed on the water sample with pressures that range from 0 to 1.0 GPa. The cooling simulations are done at temperatures that range from 40 K to 380 K using two different cooling rates, 10 K/ns and 10 K/5 ns. For the heating simulations we used the slowest heating rate (10 K/5 ns) by applying the same range of isobars. Our analysis of the variation of the volume of the bulk water sample with temperature at different pressures from both isobaric cooling/heating and isothermal compression cycles indicates a concave-downward curvature at high pressures that is consistent with the experiment for emulsified water. In particular, a strong concave down curvature is observed between the temperatures 180 K and 220 K. Below the glass transition temperature, which is around 180 K at 1GPa, the volume turns to concave upward curvature. No crystallization of the supercooled liquid state was observed below 180 K even after running the system for an additional microsecond.