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At least 595 records · Page 33

Facet-selective morphology-controlled remote epitaxy of ZnO microcrystals via wet chemical synthesis

We report on morphology-controlled remote epitaxy via hydrothermal growth of ZnO micro- and nanostructure crystals on graphene-coated GaN substrate. The morphology control is achieved to grow diverse morphologies of ZnO from nanowire to microdisk by changing additives of wet chemical solution at a fixed nutrient concentration. Although the growth of ZnO is carried out on poly-domain graphene-coated GaN substrate, the direction of hexagonal sidewall facet of ZnO is homogeneous over the whole ZnO-grown area on graphene/GaN because of strong remote epitaxial relation between ZnO and GaN across graphene. Atomic-resolution transmission electron microscopy corroborates the remote epitaxial relation. The non-covalent interface is applied to mechanically lift off the overlayer of ZnO crystals via a thermal release tape. The mechanism of facet-selective morphology control of ZnO is discussed in terms of electrostatic interaction between nutrient solution and facet surface passivated with functional groups derived from the chemical additives.

36 MATERIALS SCIENCE↗

Size-dependent radiation damage mechanisms in nanowires and nanoporous structures

Nanostructures with a high density of interfaces, such as in nanoporous materials and nanowires, resist radiation damage by promoting the annihilation and migration of defects. This study details the size effect and origins of the radiation damage mechanisms in nanowires and nanoporous structures in model face-centered (gold) and body-centered (niobium) cubic nanostructures using accelerated multi-cascade atomistic simulations and in-situ ion irradiation experiments. Our results reveal three different size-dependent mechanisms of damage accumulation in irradiated nanowires and nanoporous structures: sputtering for very small nanowires and ligaments, the formation and accumulation of point defects and dislocation loops in larger nanowires, and a face-centered-cubic to hexagonal-close-packed phase transformation for a narrow range of wire diameters in the case of gold nanowires. Smaller nanowires and ligaments have a net effect of lowering the radiation damage as compared to larger wires that can be traced back to the fact that smaller nanowires transition from a rapid accumulation of defects to a saturation and annihilation mechanism at a lower dose than larger nanowires. These irradiation damage mechanisms are accompanied with radiation-induced surface roughening resulting from defect-surface interactions. Comparisons between nanowires and nanoporous structures show that the various mechanisms seen in nanowires provide adequate bounds for the defect accumulation mechanisms in nanoporous structures with the difference attributed to the role of nodes connecting ligaments in nanoporous structures. Altogether, our results shed light on the compounded, size-dependent mechanisms leading to the radiation resistance of nanowires and nanoporous structures.

36 MATERIALS SCIENCE↗

Origins of the change in mechanical strength of silicon/gold nanocomposites during irradiation

Abstract Silicon-based layered nanocomposites, comprised of covalent-metal interfaces, have demonstrated elevated resistance to radiation. The amorphization of the crystalline silicon sublayer during irradiation and/or heating can provide an additional mechanism for accommodating irradiation-induced defects. In this study, we investigated the mechanical strength of irradiated Si-based nanocomposites using atomistic modeling. We first examined dose effects on the defect evolution mechanisms near silicon-gold crystalline and amorphous interfaces. Our simulations reveal the growth of an emergent amorphous interfacial layer with increasing dose, a dominant factor mitigating radiation damage. We then examined the effect of radiation on the mechanical strength of silicon-gold multilayers by constructing yield surfaces. These results demonstrate a rapid onset strength loss with dose. Nearly identical behavior is observed in bulk gold, a phenomenon that can be rooted to the formation of radiation-induced stacking fault tetrahedra which dominate the dislocation emission mechanism during mechanical loading. Taken together, these results advance our understanding of the interaction between radiation-induced point defects and metal-covalent interfaces.

36 MATERIALS SCIENCE↗

Quantum-Dot Laser for Wavelengths of 1.8 to 2.3 micron

The figure depicts a proposed semiconductor laser, based on In(As)Sb quantum dots on a (001) InP substrate, that would operate in the wavelength range between 1.8 and 2.3 m. InSb and InAsSb are the smallest-bandgap conventional III-V semiconductor materials, and the present proposal is an attempt to exploit the small bandgaps by using InSb and InAsSb nanostructures as midinfrared emitters. The most closely related prior III-V semiconductor lasers are based, variously, on strained InGaAs quantum wells and InAs quantum dots on InP substrates. The emission wavelengths of these prior devices are limited to about 2.1 m because of critical quantum-well thickness limitations for these lattice mismatched material systems. The major obstacle to realizing the proposed laser is the difficulty of fabricating InSb quantum dots in sufficient density on an InP substrate. This difficulty arises partly because of the weakness of the bond between In and Sb and partly because of the high temperature needed to crack metalorganic precursor compounds during the vapor-phase epitaxy used to grow quantum dots: The mobility of the weakly bound In at the high growth temperature is so high that In adatoms migrate easily on the growth surface, resulting in the formation of large InSb islands at a density, usually less than 5 x 10(exp 9) cm(exp -2), that is too low for laser operation. The mobility of the In adatoms could be reduced by introducing As atoms to the growth surface because the In-As bond is about 30 percent stronger than is the In-Sb bond. The fabrication of the proposed laser would include a recently demonstrated process that involves the use of alternative supplies of precursors to separate group-III and group-V species to establish local non-equilibrium process conditions, so that In(As)Sb quantum dots assemble themselves on a (001) InP substrate at a density as high as 4 x 10(exp 10) cm(exp -2). Room-temperature photoluminescence spectra of quantum dots formed by this process indicate that they emit at wavelengths from 1.7 to 2.3 microns.

Qiu, Yueming↗

Silver-Loaded Xerogel Nanostructures for Iodine Capture: A Comparison of Thiolated versus Unthiolated Sorbents

Here this paper describes the development and provides comparisons of thiolated (-SH) and unthiolated Ag-Al-Si-O xerogels for iodine gas capture. These xerogels were produced from alkoxides and then heat-treated at 350 °C to provide mechanical strength for subsequent processing steps. Then, a portion of the xerogels was thiolated using (3-mercaptopropyl)trimethoxysilane. Next, thiolated and unthiolated batches were ion-exchanged in AgNO 3 solutions where Ag + replaced Na + in the gel network on a near 1:1 molar basis. Subsamples of the Ag-exchanged xerogels were subjected to a reduction step in H 2 /Ar to convert Ag + to Ag 0 where the rest of the Ag-exchanged (Ag + ) were not reduced. X-ray diffraction, X-ray photoelectron spectroscopy, and transmission electron microscopy revealed nanoscale Ag 0 in the Ag + samples despite no active reduction where actively reduced samples had bimodal Ag 0 distribution of ~2-3 nm hexagonal and ~6-7 nm cubic crystallites. Synchrotron X-ray absorption spectroscopy was used to assess the oxidization states of Ag, S, and I within the different xerogel samples. The specific surface areas of the base xerogels decreased as subsequent treatments were performed on the as-made samples, albeit the decreases were smaller than aerogel equivalents of these samples from a previous study. All iodine-loaded Ag-based samples showed a mixture of β-AgI and γ-AgI. Comparisons of iodine-loading results with other Ag-based iodine sorbents show that the thiolated Ag 0 -xerogels in this work have one of the highest iodine-loading capacities (q e ) reported to date in saturated conditions with the thiolated Ag 0 -xerogel showing 522 mg iodine per g of the sorbent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA Tech Briefs, March 2014

Topics include: Data Fusion for Global Estimation of Forest Characteristics From Sparse Lidar Data; Debris and Ice Mapping Analysis Tool - Database; Data Acquisition and Processing Software - DAPS; Metal-Assisted Fabrication of Biodegradable Porous Silicon Nanostructures; Post-Growth, In Situ Adhesion of Carbon Nanotubes to a Substrate for Robust CNT Cathodes; Integrated PEMFC Flow Field Design for Gravity-Independent Passive Water Removal; Thermal Mechanical Preparation of Glass Spheres; Mechanistic-Based Multiaxial-Stochastic-Strength Model for Transversely-Isotropic Brittle Materials; Methods for Mitigating Space Radiation Effects, Fault Detection and Correction, and Processing Sensor Data; Compact Ka-Band Antenna Feed with Double Circularly Polarized Capability; Dual-Leadframe Transient Liquid Phase Bonded Power Semiconductor Module Assembly and Bonding Process; Quad First Stage Processor: A Four-Channel Digitizer and Digital Beam-Forming Processor; Protective Sleeve for a Pyrotechnic Reefing Line Cutter; Metabolic Heat Regenerated Temperature Swing Adsorption; CubeSat Deployable Log Periodic Dipole Array; Re-entry Vehicle Shape for Enhanced Performance; NanoRacks-Scale MEMS Gas Chromatograph System; Variable Camber Aerodynamic Control Surfaces and Active Wing Shaping Control; Spacecraft Line-of-Sight Stabilization Using LWIR Earth Signature; Technique for Finding Retro-Reflectors in Flash LIDAR Imagery; Novel Hemispherical Dynamic Camera for EVAs; 360 deg Visual Detection and Object Tracking on an Autonomous Surface Vehicle; Simulation of Charge Carrier Mobility in Conducting Polymers; Observational Data Formatter Using CMOR for CMIP5; Propellant Loading Physics Model for Fault Detection Isolation and Recovery; Probabilistic Guidance for Swarms of Autonomous Agents; Reducing Drift in Stereo Visual Odometry; Future Air-Traffic Management Concepts Evaluation Tool; Examination and A Priori Analysis of a Direct Numerical Simulation Database for High-Pressure Turbulent Flows; and Resource-Constrained Application of Support Vector Machines to Imagery.

Source record↗

Effective Landau-type model of a Hf x Zr 1 - x O 2 -graphene nanostructure

Here, to describe the charge-polarization coupling in the nanostructure formed by a thin Hf x Zr 1-x O 2 film with a single-layer graphene as a top electrode, we develop the “effective” Landau-Ginzburg-Devonshire model. This approach is based on the parametrization of the Landau expansion coefficients for the polar (FE) and antipolar (AFE) orderings in thin Hf 1-x Zr x O 2 films from a limited number of polarization-field curves and hysteresis loops. The Landau expansion coefficients are nonlinearly dependent on the film thickness h and Zr/[Hf+Zr] ratio x, in contrast to h-independent and linearly x-dependent expansion coefficients of a classical Landau energy. We explain the dependence of the Landau expansion coefficients by the strong nonmonotonic dependence of the Hf 1-x Zr x O 2 film polar properties on the film thickness, grain size and surface energy. The proposed Landau free energy with five “effective” expansion coefficients, which are interpolation functions of x and h, describes the continuous transformation of polarization dependences on applied electric field and hysteresis loop shapes induced by the changes of x and h in the range 0 < x < 1 and 5 nm < h < 35 nm. Using the effective free energy, we demonstrated that the polarization of Hf 1-x Zr x O 2 film influences strongly on the graphene conductivity, and the full correlation between the distribution of polarization and charge carriers in graphene is revealed. In accordance with our modeling, the polarization of the (5 – 25) nm thick Hf 1-x Zr x O 2 films, which are in the ferroelectric-like or antiferroelectric-like states for the chemical compositions 0.35 ≤ x ≤ 0.95, determine the concentration of carriers in graphene and can control its field dependence. The result can be promising for creation of next generation Si-compatible nonvolatile memories and graphene-ferroelectric FETs, because the working voltages applied to the Hf 1-x Zr x O 2 film (which acts as a gate) can be relatively low (less than 2 V). These low voltages are sufficient to induce the pronounced hysteresis of ferroelectric polarization in the Hf 1-x Zr x O 2 gate, which, due to the strong electric coupling, induces the hysteresis of the graphene charge.

36 MATERIALS SCIENCE↗

Investigation of Molecular Diffusion at Block Copolymer Thin Films Using Maximum Entropy Method-Based Fluorescence Correlation Spectroscopy and Single Molecule Tracking

Fluorescence correlation spectroscopy (FCS) has been widely used to investigate molecular diffusion behavior in various samples. The use of the maximum entropy method (MEM) for FCS data analysis provides a unique means to determine multiple distinct diffusion coefficients without a priori assumption of their number. Comparison of the MEM-based FCS method (MEM-FCS) with another method will reveal its utility and advantage as an analytical tool to investigate diffusion dynamics. Herein, we measured diffusion of fluorescent probes doped into nanostructured thin films using MEM-FCS, and validated the results with single molecule tracking (SMT) data. The efficacy of the MEM code employed was first demonstrated by analyzing simulated FCS data for systems incorporating one and two diffusion modes with broadly distributed diffusion coefficients. The MEM analysis accurately afforded the number of distinct diffusion modes and their mean diffusion coefficients. These results contrasted with those obtained by fitting the simulated data to conventional two-component and anomalous diffusion models, which yielded inaccurate estimates of the diffusion coefficients. Subsequently, the MEM analysis was applied to FCS data acquired from hydrophilic dye molecules incorporated into microphase-separated polystyrene-block-poly(ethylene oxide) (PS-b-PEO) thin films characterized under a water-saturated nitrogen atmosphere. The MEM analysis revealed distinct fast and slow diffusion components attributable to molecules diffusing on the film surface and inside the film, respectively. SMT studies of the same materials yielded trajectories for mobile molecules that appear to follow the curved PEO microdomains. Diffusion coefficients obtained from the SMT data were consistent with those obtained for the slow diffusion component detected by MEM-FCS. Furthermore, these results highlight the utility of MEM-FCS and SMT for gaining complementary information on molecular diffusion processes in heterogeneous material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Size-Dependent Electrical Transport Properties in Conducting Diamond Nanostripes

With the advances in nanofabrication technology, horizontally aligned and well-defined nitrogen-doped ultrananocrystalline diamond nanostripes can be fabricated with widths in the order of tens of nanometers. The study of the size-dependent electron transport properties of these nanostructures is crucial to novel electronic and electrochemical applications. In this paper, 100 nm thick n-type ultrananocrystalline diamond thin films were synthesized by microwave plasma-enhanced chemical vapor deposition method with 5% N2 gas in the plasma during the growth process. Then the nanostripes were fabricated using standard electron beam lithography and reactive ion etching techniques. The electrical transport properties of the free-standing single nanostripes of different widths from 75 to 150 nm and lengths from 1 to 128 μm were investigated. The study showed that the electrical resistivity of the n-type ultrananocrystalline diamond nanostripes increased dramatically with the decrease in the nanostripe width. The nanostripe resistivity was nearly doubted when the width was reduced from 150 nm to 75 nm. The size-dependent variability in conductivity could originate from the imposed diffusive scattering of the nanostripe surfaces which had a further compounding effect to reinforce the grain boundary scattering.

Zhou, Andrew F. (ORCID:0000000243050409)↗

In-situ observation of nano-oxide and defect evolution in 14YWT alloys

Nanostructured ferritic alloys (NFAs) are considered as candidates for structural components in advanced nuclear reactors due to their excellent radiation resistance as a result of a high density of nano-oxides (NOs) in the microstructure. Therefore, gaining an understanding on the stability of NOs under irradiation is crucial. In this study, we have investigated the evolution of defects and NOs in 14YWT NFAs under in-situ Kr ion irradiation at room temperature (RT) and 450°C up to 10 dpa. It has been found that irradiations at 450°C do not create any changes in the NOs, similar to the bulk irradiations. On the other hand, elemental mapping indicates that NOs dissolve mostly after 10 dpa irradiations at RT. Thus, while defects are both annihilated and pinned by NOs at low doses (before the dissolution of NOs), glissile loops start to escape to the foil surface at high doses (after the dissolution of NOs), justifying the significantly low fraction of (111) loops compared to the literature values. Furthermore, high resolution transmission electron microscopy analysis has shown that the NOs are mostly coherent Y 2 Ti 2 O 7 particles with pyrochlore crystal structure after both RT and 450°C irradiations, similar to those observed before irradiation.

36 MATERIALS SCIENCE↗

Competitive formation of intercalated versus supported metal nanoclusters during deposition on layered materials with surface point defects

Intercalated metal nanoclusters (NCs) can be formed under the surface of graphite after sputtering to generate surface “portal” defects that allow deposited atoms to reach the subsurface gallery. Although, there is a competition between formation of supported NCs on top of the surface and intercalated NCs under the surface, the latter only dominating at sufficiently high temperature. A stochastic model incorporating appropriate system thermodynamics and kinetics is developed to capture this complex and competitive nucleation and growth process. Kinetic Monte Carlo simulation shows that the model captures experimental trends observed for Cu and other metals and reveals that higher temperatures are needed to facilitate detachment of atoms from supported NCs enabling them to reach the gallery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Review of the gas breakdown physics and nanomaterial-based ionization gas sensors and their applications

Ionization gas sensors are ubiquitous tools that can monitor desired gases or detect abnormalities in real time to protect the environment of living organisms or to maintain clean and/or safe environment in industries. The sensors’ working principle is based on the fingerprinting of the breakdown voltage of one or more target gases using nanostructured materials. Fundamentally, nanomaterial-based ionization-gas sensors operate within a large framework of gas breakdown physics; signifying that an overall understanding of the gas breakdown mechanism is a crucial factor in the technological development of ionization gas sensors. Moreover, many studies have revealed that physical properties of nanomaterials play decisive roles in the gas breakdown physics and the performance of plasma-based gas sensors. Based on this insight, this review provides a comprehensive description of the foundation of both the gas breakdown physics and the nanomaterial-based ionization-gas-sensor technology, as well as introduces research trends on nanomaterial-based ionization gas sensors. The gas breakdown is reviewed, including the classical Townsend discharge theory and modified Paschen curves; and nanomaterial-based-electrodes proposed to improve the performance of ionization gas sensors are introduced. The secondary electron emission at the electrode surface is the key plasma–surface process that affects the performance of ionization gas sensors. Finally, we present our perspectives on possible future directions.

nanomaterial-based gas breakdown characteristics↗

Functional nanocomposites prepared by self-assembly and polymerization of diacetylene surfactants and silicic acid

Conjugated polymer/silica nanocomposites with hexagonal, cubic, or lamellar mesoscopic order were synthesized by self-assembly using polymerizable amphiphilic diacetylene molecules as both structure-directing agents and monomers. The self-assembly procedure is rapid and incorporates the organic monomers uniformly within a highly ordered, inorganic environment. By tailoring the size of the oligo(ethylene glycol) headgroup of the diacetylene-containing surfactant, we varied the resulting self-assembled mesophases of the composite material. The nanostructured inorganic host altered the diacetylene polymerization behavior, and the resulting nanocomposites show unique thermo-, mechano-, and solvatochromic properties. Polymerization of the incorporated surfactants resulted in polydiacetylene (PDA)/silica nanocomposites that were optically transparent and mechanically robust. Molecular modeling and quantum calculations and (13)C spin-lattice relaxation times (T(1)) of the PDA/silica nanocomposites indicated that the surfactant monomers can be uniformly organized into precise spatial arrangements prior to polymerization. Nanoindentation and gas transport experiments showed that these nanocomposite films have increased hardness and reduced permeability as compared to pure PDA. Our work demonstrates polymerizable surfactant/silica self-assembly to be an efficient, general approach to the formation of nanostructured conjugated polymers. The nanostructured inorganic framework serves to protect, stabilize, and orient the polymer, mediate its performance, and provide sufficient mechanical and chemical stability to enable integration of conjugated polymers into devices and microsystems.

NASA Discipline Life Support Systems↗

Plasmon excitations in chemically heterogeneous nanoarrays

The capability of collective excitations, such as localized surface plasmon resonances, to produce a versatile spectrum of optical phenomena is governed by the interactions within the collective and single-particle responses in the finite system. In many practical instances, plasmonic metallic nanoparticles and arrays are either topologically or chemically heterogeneous, which affects both the constituent transitions and their interactions. Here, the formation of collective excitations in weakly Cu- and Pd-doped Au nanoarrays is described using time-dependent density functional theory. The additional impurity-induced modes in the optical response can be thought to result from intricate interactions between separated excitations or transitions. In this work, we investigate the heterogeneity at the impurity level, the symmetry aspects related to the impurity position, and the influence of the impurity position on the confinement phenomena. The chemically rich and symmetry-dependent quantum mechanical effects are analyzed with transition contribution maps demonstrating the possibility to develop nanostructures with more controlled collective properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Engineering Nanostructured Interfaces of Hexagonal Boron Nitride-Based Materials for Enhanced Catalysis

Hexagonal boron nitrides (h-BNs) are attractive two-dimensional (2D) nanomaterials that consist of alternating B and N atoms and layered honeycomb-like structures similar to graphene. They have exhibited unique properties and promising application potentials in the field of energy storage and transformation. Recent advances in utilizing h-BN as a metal-free catalyst in the oxidative dehydrogenation of propane have triggered broad interests in exploring h-BN in catalysis. However, h-BN-based materials as robust nanocatalysts in heterogeneous catalysis are still underexplored because of the limited methodologies capable of affording h-BN with controllable crystallinity, abundant porosity, high purity, and defect engineering, which played important roles in tuning their catalytic performance. Here, in this account, our recent progress in addressing the above issues will be highlighted, including the synthesis of high-quality h-BN-based nanomaterials via both bottom-up and top-down pathways and their catalytic utilization as metal-free catalysts or as supports to tune the interfacial electronic properties on the metal nanoparticles (NPs). First, we will focus on the large-scale fabrication of h-BN nanosheets (h-BNNSs) with high crystallinity, improved surface area, satisfactory purity, and tunable defects. h-BN derived from the traditional approaches using boron trioxide and urea as the starting materials generally contains carbon/oxygen impurities and has low crystallinity. Several new strategies were developed to address the issues. Using bulk h-BN as the precursor via gas exfoliation in liquid nitrogen, single- or few-layered h-BNNS with abundant defects could be generated. Amorphous h-BN precursors could be converted to h-BN nanosheets with high crystallinity assisted by a magnesium metallic flux via a successive dissolution/precipitation/crystallization procedure. The as-fabricated h-BNNS featured high crystallinity and purity as well as abundant porosity. An ionothermal metathesis procedure was developed using inorganic molten salts (NaNH 2 and NaBH 4 ) as the precursors. The h-BN scaffolds could be produced on a large scale with high yield, and the as-afforded materials possessed high purity and crystallinity. Second, utilization of the as-prepared h-BN library as metal-free catalysts in dehydrogenation and hydrogenation reactions will be summarized, in which they exhibited enhanced catalytic activity over the counterparts from the previous synthesis method. Third, the interface modulation between metal NPs with the as-prepared defects’ abundant h-BN support will be highlighted. The h-BN-based strong metal–support interaction (SMSI) nanocatalysts were constructed without involving reducible metal oxides via the ionothermal procedure we developed by deploying specific inorganic metal salts, acting as robust nanocatalysts in CO oxidation. Under conditions simulated for practical exhaust systems, promising catalytic efficiency together with high thermal stability and sintering resistance was achieved. Across all of these examples, unique insights into structures, defects, and interfaces that emerge from in-depth characterization through microscopy, spectroscopy, and diffraction will be highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Insights into the Surface Electronic Structure and Catalytic Activity of InO x /Au(111) Inverse Catalysts for CO 2 Hydrogenation to Methanol

In this article, the direct conversion of carbon dioxide (CO 2 ) into methanol (CH 3 OH) via low-temperature hydrogenation is crucial for recycling anthropogenic CO 2 emissions and producing fuels or high value chemicals. Nevertheless, it continues to be a great challenge due to the trade-off between selectivity and catalytic activity. For CO 2 hydrogenation, In 2 O 3 catalysts are known for their high CH 3 OH selectivity. Subsequent studies explored depositing metals on In 2 O 3 to enhance CO 2 conversion. Despite extensive research on metal (M) supported In 2 O 3 catalysts, the role of In-M alloys and M/In 2 O 3 interfaces in CO 2 activation and CH 3 OH selectivity remains unclear. In this work, we have examined the behavior of In/Au(111) alloys and InO x /Au(111) inverse systems during CO 2 hydrogenation using synchrotron-based ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) and catalytic tests in a batch reactor. Indium forms alloys with Au(111) after deposition. The In-Au(111) alloys display high reactivity towards CO 2 and can dissociate the molecule at room temperature to generate InO x nanostructures. At very low coverages of In (≤ 0.05 ML), the InO x nanostructures are not stable under CO 2 hydrogenation conditions and the active In-Au(111) alloys produces mainly CO and little methanol. An increase in indium coverage to 0.3 ML led to stable InOx nanostructures under CO 2 hydrogenation conditions. These InO x /Au(111) catalysts displayed a high selectivity (~ 80 %) towards CH 3 OH production and an activity for CO 2 conversion that was at least 10 times larger than that of plain In 2 O 3 or Cu(111) and Cu/ZnO(000$\overline{1)}$ benchmark catalysts. The results of AP-XPS show that InO x /Au(111) produces methanol via methoxy intermediates. Inverse oxide/metal catalysts containing InOx open up a possibility for improving CO 2 → CH 3 OH conversion in processes associated with the control of environmental pollution and the production of high value chemicals.

36 MATERIALS SCIENCE↗

The mechanism for acetate formation in electrochemical CO (2) reduction on Cu: selectivity with potential, pH, and nanostructuring

Nanostructured Cu catalysts have increased the selectivities and geometric activities for high value C–C coupled (C 2 ) products (ethylene, ethanol, and acetate) in the electrochemical CO (2) reduction reaction (CO (2) RR). The selectivity among the high-value C 2 products is also altered, where for instance the yield of acetate increases with alkalinity and is dependent on the catalyst morphology. The reaction mechanisms behind the selectivity towards acetate vs. other C 2 products remain controversial. In this work, we elucidate the reaction mechanism for acetate formation by using ab initio simulations, a coupled kinetic-transport model, and loading dependent experiments. We find that trends in acetate selectivity can be rationalized from variations in electrolyte pH and the local mass transport properties of the catalyst and not from changes in Cu's intrinsic activity. The selectivity mechanism originates from the transport of ketene, a stable (closed shell) intermediate, away from the catalyst surface into solution where it reacts to form acetate. While this type of mechanism has not yet been discussed in the CO (2) RR, variants of it may explain similar selectivity fluctuations observed for other stable intermediates like CO and acetaldehyde. Our proposed mechanism suggests that acetate selectivity increases with increasing pH, decreasing catalyst roughness and significantly varies with the applied potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Self-assembly of mesoscopically ordered chromatic polydiacetylene/silica nanocomposites

Nature abounds with intricate composite architectures composed of hard and soft materials synergistically intertwined to provide both useful functionality and mechanical integrity. Recent synthetic efforts to mimic such natural designs have focused on nanocomposites, prepared mainly by slow procedures like monomer or polymer infiltration of inorganic nanostructures or sequential deposition. Here we report the self-assembly of conjugated polymer/silica nanocomposite films with hexagonal, cubic or lamellar mesoscopic order using polymerizable amphiphilic diacetylene molecules as both structure-directing agents and monomers. The self-assembly procedure is rapid and incorporates the organic monomers uniformly within a highly ordered, inorganic environment. Polymerization results in polydiacetylene/silica nanocomposites that are optically transparent and mechanically robust. Compared to ordered diacetylene-containing films prepared as Langmuir monolayers or by Langmuir-Blodgett deposition, the nanostructured inorganic host alters the diacetylene polymerization behaviour, and the resulting nanocomposite exhibits unusual chromatic changes in response to thermal, mechanical and chemical stimuli. The inorganic framework serves to protect, stabilize, and orient the polymer, and to mediate its function. The nanocomposite architecture also provides sufficient mechanical integrity to enable integration into devices and microsystems.

NASA Discipline Life Support Systems↗