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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Alloy-assisted Auger recombination in InGaN

It has been numerically investigated the effect of alloying on the Auger recombination rate in wurtzite type n-InGaN. In order to explicitly take into account the effect of alloy disorder, the calculations have been performed with a 256-atom supercell that includes In and Ga atoms randomly distributed over the supercell sites to obtain a given composition. A full band structure (no band scissors-shifting) and high-dense inhomogeneous k-point grid were used to improve the accuracy of the calculations. We show that the large number of allowed interband Auger transitions originated by the breaking of the translational periodicity plays a crucial role in the wide band gap InGaN alloys. The alloy-assisted Auger coefficients for these alloys are in the 1.0 × 10{sup −32}–4.7 × 10{sup −31} cm{sup 6}/s range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Physical and biological regulation of neuron regenerative growth and network formation on recombinant dragline silks

In this paper, recombinant spider silks produced in transgenic goat milk were studied as cell culture matrices for neuronal growth. Major ampullate spidroin 1 (MaSp1) supported neuronal growth, axon extension and network connectivity, with cell morphology comparable to the gold standard poly-lysine. In addition, neurons growing on MaSp1 films had increased neural cell adhesion molecule (NCAM) expression at both mRNA and protein levels. The results indicate that MaSp1 films present useful surface charge and substrate stiffness to support the growth of primary rat cortical neurons. Moreover, a putative neuron-specific surface binding sequence GRGGL within MaSp1 may contribute to the biological regulation of neuron growth. These findings indicate that MaSp1 could regulate neuron growth through its physical and biological features. Finally, this dual regulation mode of MaSp1 could provide an alternative strategy for generating functional silk materials for neural tissue engineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Investigation of the structure, filler interaction and degradation of disulfide elastomers made by Reversible Radical Recombination Polymerization (R3P)

In this paper we report the synthesis and analysis of cyclic polydisulfides, their redox depolymerization as well as their interaction with carbon black. Cyclic poly(3,6-dioxa-1,8-octanedithiol)s (pDODT) were synthesized by Reversible Radical Recombination Polymerization (R3P). R3P is a scalable “green” polymerization process using triethylamine (TEA), H 2 O 2 and air for the polymerization of dithiol monomers. pDODTs were synthesized in 5 and 20 g batches. The effect of peroxide concentration (3, 5, 10, 20, 30%) was investigated. It was found that the molecular weights increased exponentially with increasing peroxide concentrations. At 30% peroxide concentration pDODTs with M n up to 400,000 g/mol and polydispersity of 2 were obtained. 700 and 800 MHz NMR were used for investigating the chemical structure of the polymers. The absence of thiol end group signals in polymers made with > 10wt % H 2 O 2 and M n < 100,000 g/mol, including a sample of a fractionated polymer with starting Mn = 600,000 g/mol, verified cyclic structures. Dithiothreitol reduced the polymers to monomer and a small percentage of oligomers. Carbon black was shown to increase the moduli of high molecular weight pDODTs. Swelling tests in chloroform showed that polymers made with 20 and 30w% peroxide swelled 14 and 10 times of their starting weight without dissolving, indicating chemical interaction between the polymers and carbon black. In conclusion, further analysis of these interesting elastomers, available at the 20 g scale, is in progress.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Innovative duo-recombination layer design for effective hydrogen crossover mitigation in advanced MEAs for PEM water electrolyzers

Hydrogen crossover in proton exchange membrane water electrolyzers (PEMWEs) poses a safety hazard, reduces the overall efficiency, and limits the operational differential pressure range. Here, in this study, a membrane electrode assembly (MEA) with innovative Pt duo-recombination layer (DRL) design is developed by the unique reactive spray deposition technology (RSDT). The novel design comprises two thin RLs integrated within the volume of the membrane and has a total Pt loading of only 0.04 mg Pt cm −2 . Long-term durability test for over 3000 h is performed with as-fabricated MEA at steady-state conditions typical for an industrial hydrogen production system. The results from the durability test show that the newly developed DRL design effectively suppresses the H2 crossover to below 0.5 vol%. Furthermore, comprehensive post-test characterization of the MEA is performed and potential failure mechanisms in the Pt RLs observed during the durability test are identified and discussed in detail for the first time.

08 HYDROGEN↗
DOE OSTI2017

AID Recognizes Structured DNA for Class Switch Recombination

We discuss how activation-induced cytidine deaminase (AID) initiates both class switch recombination (CSR) and somatic hypermutation (SHM) in antibody diversification. Mechanisms of AID targeting and catalysis remain elusive despite its critical immunological roles and off-target effects in tumorigenesis. Here, we produced active human AID and revealed its preferred recognition and deamination of structured substrates. G-quadruplex (G4)-containing substrates mimicking the mammalian immunoglobulin switch regions are particularly good AID substrates in vitro. By solving crystal structures of maltose binding protein (MBP)-fused AID alone and in complex with deoxycytidine monophosphate, we surprisingly identify a bifurcated substrate-binding surface that explains structured substrate recognition by capturing two adjacent single-stranded overhangs simultaneously. Moreover, G4 substrates induce cooperative AID oligomerization. Structure-based mutations that disrupt bifurcated substrate recognition or oligomerization both compromise CSR in splenic B cells. Collectively, our data implicate intrinsic preference of AID for structured substrates and uncover the importance of G4 recognition and oligomerization of AID in CSR.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Critical role of domain crystallinity, domain purity and domain interface sharpness for reduced bimolecular recombination in polymer solar cells

In this study, inverted bulk heterojunction solar cells were fabricated using poly(3-hexylthiophene) (P3HT) blended with two different fullerene derivatives namely phenyl-C61-butyric acid methyl ester (PC 60 BM) and indene-C 60 bis-adduct (IC 60 BA). The effects of annealing temperatures on the morphology, optical and structural properties were studied and correlated to differences in photovoltaic device performance. It was observed that annealing temperature significantly improved the performance of P3HT:IC 60 BA solar cells while P3HT:PC 60 BM cells showed relatively less improvement. The performance improvement is attributed to the extent of fullerene mixing with polymer domains. Energy filtered transmission electron microscopy (EFTEM) and x-ray diffraction (XRD) results showed that ICBA mixes with disordered P3HT much more readily than PC 60 BM which leads to lower short circuit current density and fill factor for P3HT:IC 60 BA cells annealed below 120°C. Annealing above 120°C improves the crystallinity of P3HT in case of P3HT:IC 60 BA whereas in P3HT:PC 60 BM films, annealing above 80°C leads to negligible change in crystallinity. Crystallization of P3HT also leads to higher domain purity as seen EFTEM. Further it is seen that cells processed with additive nitrobenzene (NB) showed enhanced short circuit current density and power conversion efficiency regardless of the fullerene derivative used. Addition of NB led to nanoscale phase separation between purer polymer and fullerene domains. Kelvin probe force microscopy (KPFM) images showed that enhanced domain purity in additive casted films led to a sharper interface between polymer and fullerene. Lastly, enhanced domain purity and interfacial sharpness led to lower bimolecular recombination and higher mobility and charge carrier lifetime in NB modified devices.

14 SOLAR ENERGY↗
DOE OSTI2019

Buffer/absorber interface recombination reduction and improvement of back-contact barrier height in CdTe solar cells

Electronic properties of a CdTe solar cell are reported using temperature-dependent capacitance spectroscopy and current-voltage characteristics, the latter in dark and illuminated conditions. The baseline solar cell material stack investigated is comprised of soda-lime-glass/SnO 2 :F/SnO 2 /CdS:O-buffer/CdTe-absorber/Cu/Au. Properties are compared with CdTe solar cells in which the back surface was hydroiodic acid etched, before the back-contact formation, and a CdTe device in which Mg-doped ZnO (MZO) replaces buffer layer CdS. Reduced back-contact barrier height and grain boundary barrier height are observed in the HI treated CdTe cell. As a result, improved device performance in the MZO-based CdTe device is attributed to reduced emitter/absorber interface recombination when using the MZO window layer.

14 SOLAR ENERGY↗
DOE OSTI2018

CD44 collaborates with ERBB2 mediate radiation resistance via p38 phosphorylation and DNA homologous recombination pathway in prostate cancer

Highlights: • CD44/ERBB2 mediates radioresistance in prostate cancer. • CD44 enhances the stabilization of proteins. • P38 and DNA HR pathways are involved in CD44/ERBB2 mediating radioresistance. CD44, a glycoprotein, has been reported to have relationship with resistance to radiation in prostate cancer (Cap) cells. However, its molecular mechanism remains unknown. In this study, we demonstrated that inhibited CD44 enhanced the radiosentivity in Cap cells. It has been hypothesized that CD44 combine with ERBB2 and activate downstream phosphated protein to mediate DNA damage repair. Therefore, we conducted a detailed analysis of effects of radiation by clonogenic assay and immunofluorescence stain for p-H2AX foci. The downstream of CD44/ERBB2 and DNA damage repair proteins was detected by western blot. The results reveal that CD44 interacted with ERBB2, the downstream of CD44/ERBB2 was p-p38 when Cap cells were irradiated. Among the pathways, homologous recombination (HR) related proteins Mre11 and Rad50 were involved in CD44/ERBB2/p-p38 mediated radioresistance in Cap. In conclusion, CD44 could stabilize ERBB2 and co-activate p-p38 expression then promote the DNA damage repair by HR pathway, which finally contribute to the radioresistance of CaP.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Ultrahigh Hot Carrier Transient Photocurrent in Nanocrystal Arrays by Auger Recombination

Here, we show that a new mechanism for carrier transport in solution-processed colloidal semiconductor nanocrystal arrays exists at high excitation intensity on ultrafast time scales and allows for facile intrinsic transport between as-prepared nanocrystals over long distances. By combining a high speed photoconductive switch with an ultrafast laser excitation in a sub-40 ps photoconductor, we observed transient photocurrents with peak densities of 3 × 10 4 – 10 6 mA/ cm 2 in self-assembled PbSe nanocrystals capped with long native oleic acid ligands. The ratio between the transient photocurrent peak and the steady-state dark current is 10 orders of magnitude. The transient mobility at the peak current is estimated to range between 0.5–17.5 cm 2 /(V s) for the various nanocrystal sizes studied, which is 6 to 9 orders of magnitude higher than the dark current steady-state mobility in PbSe, CdSe, and CdTe nanocrystals capped with native ligands. The results are analyzed using a kinetic model which attributes the ultrahigh transient photocurrent to multiple photogenerated excitons undergoing on-particle Auger recombination, followed by rapid tunneling at high energies. This mechanism is demonstrated for a wide range of PbSe nanocrystals sizes (diameters from 2.7 to 7.1 nm) and experimental parameters. Our observations indicate that native ligand-capped nanocrystal arrays are promising for optoelectronics applications wherein multiple carriers are photoinjected to interband states.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Localizing Exciton Recombination Sites in Conformationally Distinct Single Conjugated Polymers by Super-resolution Fluorescence Imaging

To thoroughly elucidate how molecular conformation and photophysical properties of conjugated polymers (CPs) are related requires simultaneous probing of both. Here, previous efforts used fluorescence imaging with one nanometer accuracy (FIONA) to image CPs, which allowed simultaneous estimation of molecular conformation and probing of fluorescence intensity decay. We show that calculating the molecular radius of gyration for putative folded and unfolded poly(2-methoxy-5-(2'-ethylhexyloxy)1,4-phenylenevinylene) (MEH-PPV) molecules using FIONA underestimates molecular extension by averaging over emitters during localization. In contrast, employing algorithms based on single molecule high resolution imaging with photobleaching (SHRImP), including an approach we term all-frames SHRImP, allows localization of individual emitters. SHRImP processing corroborates that compact MEH-PPV molecules have distinct photophysical properties from extended ones. Estimated radii of gyration for isolated 168 kDa MEH-PPV molecules immobilized in polystyrene and exhibiting either stepwise or continuous intensity decays are found to be 12.6 and 25.3 nm, respectively, while the distance between exciton recombination sites is estimated to be ~10 nm independent of molecular conformation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Determinants for Efficient Editing with Cas9-Mediated Recombineering in Escherichia coli

In E. coli, editing efficiency with Cas9-mediated recombineering varies across targets due to differences in the level of Cas9:gRNA-mediated DNA double-strand break (DSB)-induced cell death. We found that editing efficiency with the same gRNA and repair template can also change with target position, cas9 promoter strength, and growth conditions. Incomplete editing, off-target activity, nontargeted mutations, and failure to cleave target DNA even if Cas9 is bound also compromise editing efficiency. These effects on editing efficiency were gRNA-specific. We propose that differences in the efficiency of Cas9:gRNA-mediated DNA DSBs, as well as possible differences in binding of Cas9:gRNA complexes to their target sites, account for the observed variations in editing efficiency between gRNAs. We show that editing behavior using the same gRNA can be modified by mutating the gRNA spacer, which changes the DNA DSB activity. Finally, we discuss how variable editing with different gRNAs could limit high-throughput applications and provide strategies to overcome these limitations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Techno-economic analysis of a conceptual biofuel production process from bioethylene produced by photosynthetic recombinant cyanobacteria

Ethylene is a petrochemical produced in large volumes worldwide. It serves as a building block for a wide variety of plastics, textiles, and chemicals, and can be converted into liquid transportation fuels. There is great interest in the development of technologies that produce ethylene from renewable resources, such as biologically derived CO 2 and biomass. One of the metabolic pathways used by microbes to produce ethylene is via an ethylene-forming enzyme (EFE). By expressing a bacterial EFE gene in a cyanobacterium, ethylene has been produced through photosynthetic carbon fixation. Here, we present a conceptual design and techno-economic analysis of a process of biofuel production based on the upgradation of ethylene generated by the recombinant cyanobacterium. This analysis focuses on potential near-term to long-term cost projections for the integrated process of renewable fuels derived from ethylene. The cost projections are important in showing the potential of this technology and determining research thrusts needed to reach target goals. The base case for this analysis is a midterm projection using tubular photobioreactors for cyanobacterial growth and ethylene production, cryogenic distillation for ethylene separation and purification, a two-step Ziegler oligomerization process with subsequent hydrotreatment and upgradation for fuel production, and a wastewater treatment process that utilizes anaerobic digestion of cyanobacterial biomass. The minimum fuel selling price (MFSP) for the midterm projection is 15.07 per gallon gasoline equivalent (GGE). Near-term and long-term projections are 28.66 per GGE and 5.36 per GGE, respectively. Single- and multi-point sensitivity analyses are conducted to determine the relative effect that chosen variables could have on the overall costs. This analysis identifies several key variables for improving the overall process economics and outlines strategies to guide future research directions. Finally, the productivity of ethylene has the largest effect on cost and is calculated based on a number of variables that are incorporated into this cost model (i.e., quantum requirement, photon transmission efficiency, and the percent of energy going to either ethylene or cyanobacterial biomass production).

09 BIOMASS FUELS↗
DOE OSTI2013

Note: Recombination of H{sup +} and OH{sup -} ions along water wires

Transport and recombination of hydrogen and hydroxide ions along a hydrogen-bonded water wire are studied by molecular dynamics simulation using a dissociating model for water. The results are compared with a recent CP-MD study of neutralization in bulk water [A. Hassanali, M. K. Prakrash, H. Eshet, and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. 108, 20410 (2011)]. The translocation of H{sup +} and OH{sup -} along the wire is faster than in the bulk water, followed by compression of the water wire when two water molecules separate the transported ions. Neutralization occurs with the concerted transfer of three protons as in the bulk water, followed by energy dissipation along the water chain.

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

Development of the gas puff charge exchange recombination spectroscopy (GP-CXRS) technique for ion measurements in the plasma edge

A novel charge-exchange recombination spectroscopy (CXRS) diagnostic method is presented, which uses a simple thermal gas puff for its donor neutral source, instead of the typical high-energy neutral beam. This diagnostic, named gas puff CXRS (GP-CXRS), is used to measure ion density, velocity, and temperature in the tokamak edge/pedestal region with excellent signal-background ratios, and has a number of advantages to conventional beam-based CXRS systems. Here we develop the physics basis for GP-CXRS, including the neutral transport, the charge-exchange process at low energies, and effects of energy-dependent rate coefficients on the measurements. The GP-CXRS hardware setup is described on two separate tokamaks, Alcator C-Mod and ASDEX Upgrade. Measured spectra and profiles are also presented. Profile comparisons of GP-CXRS and a beam based CXRS system show good agreement. Emphasis is given throughout to describing guiding principles for users interested in applying the GP-CXRS diagnostic technique.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Room temperature excitonic recombination in GaInN/GaN quantum wells

The dependence of radiative and nonradiative lifetimes on the excess carrier density in GaInN/GaN quantum wells is studied via time-resolved photoluminescence spectroscopy over a wide range of excitation densities. Our results differ from the predictions of simple free-carrier models: density independent radiative lifetimes clearly evidence the excitonic nature even at room temperature. At high densities, nonradiative lifetimes are weakly temperature dependent and proportional to the inverse of the density, implying an excitonic, threshold-less Auger process. Furthermore, in the intermediate density regime between low and high injection, an increase of the nonradiative lifetimes is observed, which is typical for Shockley-Read-Hall-type recombination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Effect of sidewall surface recombination on the quantum efficiency in a Y{sub 2}O{sub 3} passivated gated type-II InAs/GaSb long-infrared photodetector array

Y{sub 2}O{sub 3} was applied to passivate a long-wavelength infrared type-II superlattice gated photodetector array with 50% cut-off wavelength at 11 μm, resulting in a saturated gate bias that was 3 times lower than in a SiO{sub 2} passivated array. Besides effectively suppressing surface leakage, gating technique exhibited its ability to enhance the quantum efficiency of 100 × 100 μm size mesa from 51% to 57% by suppressing sidewall surface recombination. At 77 K, the gated photodetector showed dark current density and resistance-area product at −300 mV of 2.5 × 10{sup −5} A/cm{sup 2} and 1.3 × 10{sup 4} Ω cm{sup 2}, respectively, and a specific detectivity of 1.4 × 10{sup 12} Jones.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Relaxation and recombination processes in Ge/SiGe multiple quantum wells

The carrier dynamics that occurs in Ge/SiGe QWs when electrons are excited to confined states at Γ is studied by means of optical spectroscopy at different lattice temperatures. The typical times for the different relaxation and recombination processes are given and discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Hybrid exciton recombination dynamics in inorganic-organic materials

A systematic analysis of hybrid Frenkel–Wannier–Mott excitons recombination dynamics in nanocomposite material (organic–inorganic) is performed. A theoretical model based on the rate equation is used in the calculation of the light intensity and relative quantum efficiency. Numerical results have been presented for low and high concentration of quantum dots (Qds). Our results show that the light emission and relative quantum efficiency are significantly enhanced by incorporation of Qds in polymer matrix. Moreover our calculations were found to be in good agreement with the experimental data.

36 MATERIALS SCIENCE↗