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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides

Electrostatics plays an important role in the self-assembly of amphiphilic peptides. To develop a molecular understanding of the role of the electrostatic interactions, we develop a coarse-grained model peptide and apply self-consistent field theory to investigate the peptide assembly into a variety of aggregate nanostructures. We find that the presence and distribution of charged groups on the hydrophilic branches of the peptide can modify the molecular configuration from extended to collapsed. This change in molecular configuration influences the packing into spherical micelles, cylindrical micelles (nanofibers), or planar bilayers. The effects of charge distribution therefore has important implications for the design and utility of functional materials based on peptides.

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

Tuning crystallization pathways through sequence engineering of biomimetic polymers

Two-step nucleation pathways in which disordered, amorphous, or dense liquid states precede the appearance of crystalline phases have been reported for a wide range of materials, but the dynamics of such pathways are poorly understood. Moreover, whether these pathways are general features of crystallizing systems or a consequence of system-specific structural details that select for direct versus two-step processes is unknown. Using atomic force microscopy to directly observe crystallization of sequence-defined polymers, we show that crystallization pathways are indeed sequence dependent. When a short hydrophobic region is added to a sequence that directly forms crystalline particles, crystallization instead follows a two-step pathway that begins with the creation of disordered clusters of 10–20 molecules and is characterized by highly non-linear crystallization kinetics in which clusters transform into ordered structures that then enter the growth phase. The results shed new light on non-classical crystallization mechanisms and have implications for the design of self-assembling polymer systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers

Effective separation of alkane isomers is a critical step in the petroleum refining process to produce gasoline with high octane rating. Current technology relies on energy intensive distillation method. Adsorptive separation using porous solids offers an alternative route that is more cost effective, lower energy and higher efficiency. Guided by topology-directed design and synthesis, we have developed a series of zirconium-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, Zr-bptc adsorbs a large amount of n-hexane while excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr-abtc, is capable of discriminating all three C6 isomers with a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is important for producing gasoline with further improved quality.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantum-size-tuned heterostructures enable efficient and stable inverted perovskite solar cells

The energy landscape of reduced-dimensional perovskites (RDPs) can be tailored by adjusting their layer width (n). Recently, 2D/3D heterostructures containing n = 1 and 2 RDPs have produced PSCs with > 25% power conversion efficiency (PCE). Unfortunately, this method does not translate to inverted PSCs due to electron blocking at the 2D/3D interface. Here we report a method to increase the layer width of RDPs in 2D/3D heterostructures in order to address this problem. We discover that bulkier organics form 2D heterostructures more slowly, resulting in wider RDPs; and that small modifications to ligand design induce preferential growth of n ≥ 3 RDPs. Levering these insights, we developed efficient inverted PSCs (certified 23.91% quasi-steady state efficiency). Furthermore, unencapsulated devices operate at room temperature and ~50% relative humidity for over 1000 hrs without loss of PCE; and, when subjected to ISOS-L3 accelerated aging encapsulated devices retain 92% of PCE after 500 hrs.

14 SOLAR ENERGY↗
DOE OSTI2018

Tuning piezoelectric properties through epitaxy of La 2 Ti 2 O 7 and related thin films

Current piezoelectric sensors and actuators are limited to operating temperatures less than ~200ºC due to the low Curie temperature of the piezoelectric material. The strengthening the piezoelectric coupling of high-temperature piezoelectric materials, such as La 2 Ti 2 O 7 (LTO), would allow sensors to operate across a broad temperature range. The crystalline orientation and piezoelectric coupling direction of LTO thin films can be controlled by epitaxial matching to SrTiO 3 (001), SrTiO 3 (110), and rutile TiO 2 (110) substrates via pulsed laser deposition. The structure and phase purity of the films are investigated by x-ray diffraction and scanning transmission electron microscopy. Piezoresponse force microscopy is used to measure the in-plane and out-of-plane piezoelectric coupling in the films. The strength of the out-of-plane piezoelectric coupling can be increased when the piezoelectric direction is rotated partially out-of-plane via epitaxy. The strongest out-of-plane coupling is observed for LTO/STO(001). Deposition on TiO 2 (110) results in epitaxial La 2/3 TiO 3 , an orthorhombic perovskite of interest as a microwave dielectric material and an ion conductor. La 2/3 TiO 3 can be difficult to stabilize in bulk form, and epitaxial stabilization on TiO 2 (110) is a promising route to realize La 2/3 TiO 3 for both fundamental studies and device applications. Overall, these results confirm that control of the crystalline orientation of epitaxial LTO-based materials can govern the resulting functional properties.

36 MATERIALS SCIENCE↗