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Results for “synthesis (scalable processing)”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Quantification of thickness and wrinkling of exfoliated two-dimensional zeolite nanosheets

Some two-dimensional (2D) exfoliated zeolites are single- or near single-unit cell thick silicates that can function as molecular sieves. Although they have already found uses as catalysts, adsorbents and membranes precise determination of their thickness and wrinkling is critical as these properties influence their functionality. Here we demonstrate a method to accurately determine the thickness and wrinkles of a 2D zeolite nanosheet by comprehensive 3D mapping of its reciprocal lattice. Since the intensity modulation of a diffraction spot on tilting is a fingerprint of the thickness, and changes in the spot shape are a measure of wrinkling, this mapping is achieved using a large-angle tilt-series of electron diffraction patterns. As a result, application of the method to a 2D zeolite with MFI structure reveals that the exfoliated MFI nanosheet is 1.5 unit cells (3.0 nm) thick and wrinkled anisotropically with up to 0.8 nm average surface roughness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Weyl points and line nodes in gyroid photonic crystals

Weyl points and line nodes are three-dimensional linear point and line degeneracies between two bands. In contrast to two-dimensional Dirac points, which are their lower-dimensional analogues, Weyl points are stable in momentum space, and the associated surface states are predicted to be topologically non-trivial. However, Weyl points are yet to be discovered in nature. We report photonic crystals based on double-gyroid structures, exhibiting frequency-isolated Weyl points with complete phase diagrams by breaking the parity and time-reversal symmetries. Gapless surface dispersions associated with non-zero Chern numbers are demonstrated. Line nodes are also found in similar geometries, the associated surface states forming flat dispersion bands. Our results are based on realistic ab initio calculations with true predictive power and should be readily realizable experimentally from microwave to optical frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Topological photonics

The application of topology, the mathematics of conserved properties under continuous deformations, is creating a range of new opportunities throughout photonics. This field was inspired by the discovery of topological insulators, in which interfacial electrons transport without dissipation, even in the presence of impurities. Similarly, the use of carefully designed wavevector-space topologies allows the creation of interfaces that support new states of light with useful and interesting properties. In particular, this suggests unidirectional waveguides that allow light to flow around large imperfections without back-reflection. This Review explains here the underlying principles and highlights how topological effects can be realized in photonic crystals, coupled resonators, metamaterials and quasicrystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Scaling relationships and theory for vibrational frequencies of adsorbates on transition metal surfaces

Adsorbate vibrational excitations are an important fingerprint of molecule/surface interactions, affecting temperature contributions to the free energy and impacting reaction rate and equilibrium constants. Furthermore, vibrational spectra aid in identifying species and adsorption sites present in experimental studies. Despite their importance, knowledge of how adsorbate frequencies scale across materials is lacking. Here, by combining previously reported experimental data and our own density-functional theory calculations, we reveal linear correlations between vibrational frequencies of adsorbates on transition metal surfaces. Through effective-medium theory, linear muffin-tin orbital theory, and the d-band model, we rationalize the squares of the frequencies to be fundamentally linear in their scaling across transition metal surfaces. We identify the adsorbate-binding energy as a descriptor for certain molecular vibrations and rigorously relate errors in frequencies to errors in adsorption energies. Here, we also discuss the impact of scaling on surface thermochemistry and adsorbate coverage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Redox-switchable breathing behavior in tetrathiafulvalene-based metal–organic frameworks

Metal–organic frameworks (MOFs) that respond to external stimuli such as guest molecules, temperature, or redox conditions are highly desirable. Herein, we coupled redox-switchable properties with breathing behavior induced by guest molecules in a single framework. Guided by topology, two flexible isomeric MOFs, compounds 1 and 2, with a formula of In(Me 2 NH 2 ) (TTFTB), were constructed via a combination of [In(COO) 4 ]- metal nodes and tetratopic tetrathiafulvalene-based linkers (TTFTB). The two compounds show different breathing behaviors upon the introduction of N 2 . Single-crystal X-ray diffraction, accompanied by molecular simulations, reveals that the breathing mechanism of 1 involves the bending of metal–ligand bonds and the sliding of interpenetrated frameworks, while 2 undergoes simple distortion of linkers. Reversible oxidation and reduction of TTF moieties changes the linker flexibility, which in turn switches the breathing behavior of 2. The redox-switchable breathing behavior can potentially be applied to the design of stimuli-responsive MOFs.

carbon capture↗
DOE OSTI2018

Retrosynthesis of multi–component metal-organic frameworks

Crystal engineering of metal–organic frameworks (MOFs) has allowed the construction of complex structures at atomic precision, but has yet to reach the same level of sophistication as organic synthesis. The synthesis of complex MOFs with multiple organic and/or inorganic components is ultimately limited by the lack of control over framework assembly in one-pot reactions. Herein, we demonstrate that multi-component MOFs with unprecedented complexity can be constructed in a predictable and stepwise manner under simple kinetic guidance, which conceptually mimics the retrosynthetic approach utilized to construct complicated organic molecules. Four multi-component MOFs were synthesized by the subsequent incorporation of organic linkers and inorganic clusters into the cavity of a mesoporous MOF, each composed of up to three different metals and two different linkers. Furthermore, we demonstrated the utility of such a retrosynthetic design through the construction of a cooperative bimetallic catalytic system with two collaborative metal sites for three-component Strecker reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Myths and reality of HPbI 3 in halide perovskite solar cells

All-inorganic perovskites have a special place in halide perovskite family because of their potential for better stability. However, the representative cesium lead iodide (CsPbI 3 ) is metastable and spontaneously converts to the non-perovskite structure at room temperature. Here, we demonstrate that what appears to be all-inorganic CsPbI 3 stabilized in its perovskite form using the purported intermediate known as hydrogen lead iodide (HPbI 3 ) is, in fact, the hybrid perovskite cesium dimethylammonium lead iodide (Cs 1-x DMA x PbI 3 , x = 0.2 to 0.5). Thus, many of the reported all-inorganic perovskites are actually still hybrid organic-inorganic perovskites, as strongly evidenced by a wide battery of experimental techniques presented here. Solar cells based on the representative composition Cs 0.7 DMA 0.3 PbI 3 can achieve an average power conversion efficiency of 9.27 ± 1.28% (max 12.62%). These results provide an alternative angle to look at previous results pertaining all-inorganic CsPbI 3 while the DMA cation is now revealed as an alternative A site cation.

14 SOLAR ENERGY↗
DOE OSTI2018

Passive directional sub-ambient daytime radiative cooling

Demonstrations of passive daytime radiative cooling have primarily relied on complex and costly spectrally selective nanophotonic structures with high emissivity in the transparent atmospheric spectral window and high reflectivity in the solar spectrum. Here, we show a directional approach to passive radiative cooling that exploits the angular confinement of solar irradiation in the sky to achieve sub-ambient cooling during the day regardless of the emitter properties in the solar spectrum. We experimentally demonstrate this approach using a setup comprising a polished aluminum disk that reflects direct solar irradiation and a white infrared-transparent polyethylene convection cover that minimizes diffuse solar irradiation. Measurements performed around solar noon show a minimum temperature of 6 °C below ambient temperature and maximum cooling power of 45 W m –2 . Our passive cooling approach, realized using commonly available low-cost materials, could improve the performance of existing cooling systems and enable next-generation thermal management and refrigeration solutions.

14 SOLAR ENERGY↗
DOE OSTI2019

Thermal radiation control from hot graphene electrons coupled to a photonic crystal nanocavity

Controlling thermal radiation is central in a range of applications including sensing, energy harvesting, and lighting. The thermal emission spectrum can be strongly modified through the electromagnetic local density of states (EM LDOS) in nanoscale-patterned metals and semiconductors. However, these materials become unstable at high temperature, preventing improvements in radiative efficiency and applications such as thermophotovoltaics. Here, we report stable high-temperature thermal emission based on hot electrons (>2000 K) in graphene coupled to a photonic crystal nanocavity, which strongly modifies the EM LDOS. The electron bath in graphene is highly decoupled from lattice phonons, allowing a comparatively cool temperature (700 K) of the photonic crystal nanocavity. This thermal decoupling of hot electrons from the LDOS-engineered substrate opens a broad design space for thermal emission control that would be challenging or impossible with heated nanoscale-patterned metals or semiconductor materials.

14 SOLAR ENERGY↗