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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 55 records · Page 3

Design Principles for Trap-Free CsPbX 3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases

We introduce a general surface passivation mechanism for cesium lead halide perovskite materials (CsPbX 3 , X = Cl, Br, I) that is supported by a combined experimental and theoretical study of the nanocrystal surface chemistry. A variety of spectroscopic methods are employed together with ab initio calculations to identify surface halide vacancies as the predominant source of charge trapping. The number of surface traps per nanocrystal is quantified by 1 H NMR spectroscopy, and that number is consistent with a simple trapping model in which surface halide vacancies create deleterious under-coordinated lead atoms. These halide vacancies exhibit trapping behavior that differs among CsPbCl 3 , CsPbBr 3 , and CsPbI 3 . Ab initio calculations suggest that introduction of anionic X-type ligands can produce trap-free band gaps by altering the energetics of lead-based defect levels. General rules for selecting effective passivating ligand pairs are introduced by considering established principles of coordination chemistry. Introducing softer, anionic, X-type Lewis bases that target under-coordinated lead atoms results in absolute quantum yields approaching unity and monoexponential luminescence decay kinetics, thereby indicating full trap passivation. This work provides a systematic framework for preparing highly luminescent CsPbX 3 nanocrystals with variable compositions and dimensionalities, thereby improving the fundamental understanding of these materials and informing future synthetic and post-synthetic efforts toward trap-free CsPbX 3 nanocrystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enumeration of Moiré patterns of a hexagonal twisted bilayer: Applications to intercalated transition metals

A real-space method using generating integers is used to determine possible commensurate lattice Moiré patterns for a bilayer of two equal hexagonal lattices, which can in principle be extended to lattice mismatched bilayers. These Moiré patterns can be classified by a pair of relatively prime integers (n,m), wherein a rotation θ(n,m) of the top hexagonal lattice maps its lattice vector (n,m) to (m,n) of the bottom lattice. Within this formulation, the area of the commensurate supercell is proportional to (n2+m2+nm) and the number of coincident lattice sites per supercell is given by (n−m)2. Taking bilayer boron nitride (BN) as an example, we present how to systematically generate Moiré patterns and explore the differences in local chemistry in the interstitial region by impurity intercalation. Systematic calculations of the properties of intercalated 3d transition metals were performed in an h-BN (4,3) bilayer, corresponding to a rotation of 9.43 degrees. These calculations reveal that local symmetry in the intercalated region significantly affect the energetics and magnetization of the intercalated species. These results highlight that Moiré pattern physics is not limited to optoelectronic/electronic phenomena, such as interfacial exciton formation or magic angle superconductivity, but it also produces chemical and magnetic atomic site selectivity, which may play important roles in adsorption, catalysis, or quantum information.

Physics↗

Comparison of two culture methods for the enumeration of Legionella pneumophila from potable water samples

Legionella infections have steadily increased in the United States over the last 20 years, and most of these infections have been attributed to contaminated water. The gold standard for confirmation of Legionella presence in water is culturing with Buffered Charcoal Yeast Extract (BCYE) agar. Following many modifications, this method is still time-consuming, expensive, and can take longer than 10 days for full confirmation. The Legiolert is a newer and simpler culture product that is claimed to be able to quantify Legionella pneumophila in 7 days with high sensitivity and specificity and does not need further confirmation for the presence of L. pneumophila. This study compared the culturability of L. pneumophila occurring in a simulated home plumbing system using both Legiolert and BCYE agar methods. Out of 185 water samples, Legiolert and BCYE method detected L. pneumophila in 83 and 85% of the samples, respectively. The two methods were determined to be statistically equivalent for culturability of L. pneumophila, though the detected levels by Legiolert were slightly higher than the BCYE method. The molecular confirmation of positive (n = 254) and negative wells (n = 82) with Legiolert also showed a high specificity of 96.5% (i.e., 3.5% false positives (9/254) and 0% false negatives (0/82)).

Boczek, Laura A.↗

Generalized m series in tree enumeration.

Consideration of a particular series formed by deleting certain branches of the complete graph K sub t with t vertices. A class of graphs which contains the m series as a special case is considered, and a new formula is given for the m series itself (an m series graph is obtained from K sub t by removing m branches forming a closed loop). A formula is derived for the number of labeled spanning trees in the graph obtained by deleting certain branches from K sub t.

O'Neil, P. V.↗

Rapid, single-step most-probable-number method for enumerating fecal coliforms in effluents from sewage treatment plants

A single-step most-probable-number method for determining the number of fecal coliform bacteria present in sewage treatment plant effluents is discussed. A single growth medium based on that of Reasoner et al. (1976) and consisting of 5.0 gr. proteose peptone, 3.0 gr. yeast extract, 10.0 gr. lactose, 7.5 gr. NaCl, 0.2 gr. sodium lauryl sulfate, and 0.1 gr. sodium desoxycholate per liter is used. The pH is adjusted to 6.5, and samples are incubated at 44.5 deg C. Bacterial growth is detected either by measuring the increase with time in the electrical impedance ratio between the innoculated sample vial and an uninnoculated reference vial or by visual examination for turbidity. Results obtained by the single-step method for chlorinated and unchlorinated effluent samples are in excellent agreement with those obtained by the standard method. It is suggested that in automated treatment plants impedance ratio data could be automatically matched by computer programs with the appropriate dilution factors and most probable number tables already in the computer memory, with the corresponding result displayed as fecal coliforms per 100 ml of effluent.

Munoz, E. F.↗

Enumeration of prairie wetlands with Landsat and aircraft data

A method is described for estimating wetland abundance in the 700,000 sq km prairie pothole region of North America. A double sampling procedure is described, incorporating the use of high resolution aircraft imagery, capable of delineating ponds as small as 5 m across, as a means of adjusting the count of surface water features derived from the low-resolution Landsat census over a 38,876 sq km area in east-central North Dakota. The regression expansion formula used to estimate the actual number of total wetlands is also presented.

Gilmer, D. S.↗

AgRISTARS: Agriculture and Resources Inventory Surveys Through Aerospace Remote Sensing. Enumerator's manual, 1981 ground data survey

General information and administrative instructions are provided for individuals gathering ground truth data to support research and development techniques for estimating crop acreage and production by remote sensing by satellite. Procedures are given for personal safety with regards to organophosphorus insecticides, for conducting interviews for periodic observations, for coding the crops identified and their growth stages, and for selecting sites for placing rain gages. Forms are included for those citizens agreeing to monitor the gages and record the rainfall. Segment selection is also considered.

Source record↗