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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 OSTI2020

Materials Data on Cd(C2N3)2 by Materials Project

Cd(C2N3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.30–2.52 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one Cd2+ and two C4+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Cd2+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(AsO3)2 by Materials Project

Cd(AsO3)2 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent O2- atoms to form CdO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cd–O bond lengths are 2.35 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent CdO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent As5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(AgO2)2 by Materials Project

Cd(AgO2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.05 Å. Cd2+ is bonded in a distorted tetrahedral geometry to four equivalent O2- atoms. All Cd–O bond lengths are 2.24 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag3+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(AgO2)2 by Materials Project

Cd(AgO2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. Cd2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Cd–O bond lengths are 2.22 Å. O2- is bonded in a trigonal non-coplanar geometry to two equivalent Ag3+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(CuO2)2 by Materials Project

Cd(CuO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.86 Å) Cu–O bond length. In the second Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.86 Å) Cu–O bond length. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.42–2.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Cu3+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd2Cu2 tetrahedra. In the second O2- site, O2- is bonded to two Cu3+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd2Cu2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(BO2)2 by Materials Project

Cd(BO2)2 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.29–2.71 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.49 Å) and two longer (1.51 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cd2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cd2+ and two equivalent B3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(Cu3O4)2 by Materials Project

Cd(Cu3O4)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu+2.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. Cd2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Cd–O bond lengths are 2.33 Å. O2- is bonded to three equivalent Cu+2.33+ and one Cd2+ atom to form a mixture of distorted corner and edge-sharing OCdCu3 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(Pt3O4)3 by Materials Project

Cd(Pt3O4)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are seven inequivalent Pt+2.44+ sites. In the first Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the second Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the third Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.02 Å. In the fourth Pt+2.44+ site, Pt+2.44+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fifth Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. In the sixth Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the seventh Pt+2.44+ site, Pt+2.44+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.01 Å. Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Cd–O bond lengths are 2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pt+2.44+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the second O2- site, O2- is bonded to three Pt+2.44+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.44+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(CoO2)2 by Materials Project

Cd(CoO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Co3+ is bonded to six equivalent O2- atoms to form distorted CoO6 octahedra that share corners with six equivalent CdO4 tetrahedra and edges with six equivalent CoO6 octahedra. There are four shorter (1.93 Å) and two longer (2.23 Å) Co–O bond lengths. Cd2+ is bonded to four equivalent O2- atoms to form CdO4 tetrahedra that share corners with twelve equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–65°. All Cd–O bond lengths are 2.18 Å. O2- is bonded to three equivalent Co3+ and one Cd2+ atom to form a mixture of distorted edge and corner-sharing OCdCo3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(CuSe)2 by Materials Project

Cd(CuSe)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with six equivalent CdSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with three equivalent CdSe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–54°. There are one shorter (2.43 Å) and three longer (2.57 Å) Cu–Se bond lengths. Cd2+ is bonded to six equivalent Se2- atoms to form CdSe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with six equivalent CdSe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. All Cd–Se bond lengths are 2.88 Å. Se2- is bonded to four equivalent Cu1+ and three equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing SeCd3Cu4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(NO3)2 by Materials Project

Cd(NO3)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four cadmium hydroxide (cd(oh)2) molecules and eight nitrous acid molecules.

36 MATERIALS SCIENCE↗
NASA NTRS2002

NASA educational CD-ROMs: research and evaluation

Since the introduction of educational technology in the K-12 classroom, educators have been flooded with a seemingly endless flow of educational CD-ROMs. NASA has contributed to this new trend in educational technology by developing a wide range of some of the lastest, most high-tech CD-ROMs in the industry.

CD-ROM research evaluation↗
DOE OSTI2020

Growth and Characterization of Arsenic-Doped CdTe 1-x Se x Single Crystals Grown by the Cd-Solvent Traveling Heater Method

The photovoltaic performance of CdTe solar cells is mainly limited by low doping and short minority carrier lifetime. Group-V element doping and Se-alloying have a significant impact on tuning these fundamental CdTe properties. In this paper, we report the growth of p-type As-doped, Cd-rich CdTe 1-x Se x single crystals using metallic Cd as the solvent in the traveling-heater method. The structural and electrical properties of CdTe1-xSex are examined for different Se concentrations. CdTe 1-x Se x single crystals (0 ≤ x ≤ 0.5) with zincblende structure indicate homogeneous composition. The 10 17 cm-3 As-doping activation efficiency can be maintained at close to 50% for x ≤ 0.2. Se alloying leads to bulk minority carrier lifetime exceeding 30 ns for samples doped near 1017 cm -3 . These results help us to overcome the current roadblocks in device performance.

14 SOLAR ENERGY↗
DOE OSTI2022

Transcriptional pathways linked to fetal and maternal hepatic dysfunction caused by gestational exposure to perfluorooctanoic acid (PFOA) or hexafluoropropylene oxide-dimer acid (HFPO-DA or GenX) in CD-1 mice

Per- and polyfluoroalkyl substances (PFAS) comprise a diverse class of chemicals used in industrial processes, consumer products, and fire-fighting foams which have become environmental pollutants of concern due to their persistence, ubiquity, and associations with adverse human health outcomes, including in pregnant persons and their offspring. Multiple PFAS are associated with adverse liver outcomes in adult humans and toxicological models, but effects on the developing liver are not fully described. Here we performed transcriptomic analyses in the mouse to investigate the molecular mechanisms of hepatic toxicity in the dam and its fetus after exposure to two different PFAS, perfluorooctanoic acid (PFOA) and its replacement, hexafluoropropylene oxide-dimer acid (HFPO-DA, known as GenX). Pregnant CD-1 mice were exposed via oral gavage from embryonic day (E) 1.5-17.5 to PFOA (0, 1, or 5 mg/kg-d) or GenX (0, 2, or 10 mg/kg-d). Maternal and fetal liver RNA was isolated (N = 5 per dose/group) and the transcriptome analyzed by Affymetrix Array. Differentially expressed genes (DEG) and differentially enriched pathways (DEP) were obtained. DEG patterns were similar in maternal liver for 5 mg/kg PFOA, 2 mg/kg GenX, and 10 mg/kg GenX (R2: 0.46-0.66). DEG patterns were similar across all 4 dose groups in fetal liver (R2: 0.59-0.81). There were more DEGs in fetal liver compared to maternal liver at the low doses for both PFOA (fetal = 69, maternal = 8) and GenX (fetal = 154, maternal = 93). Upregulated DEPs identified across all groups included Fatty Acid Metabolism, Peroxisome, Oxidative Phosphorylation, Adipogenesis, and Bile Acid Metabolism. Transcriptome-phenotype correlation analyses demonstrated > 1000 maternal liver DEGs were significantly correlated with maternal relative liver weight (R 2 >0.92). These findings show shared biological pathways of liver toxicity for PFOA and GenX in maternal and fetal livers in CD-1 mice. The limited overlap in specific DEGs between the dam and fetus suggests the developing liver responds differently than the adult liver to these chemical stressors. This work helps define mechanisms of hepatic toxicity of two structurally unique PFAS and may help predict latent consequences of developmental exposure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Heat capacity and thermodynamic functions of partially dehydrated cation-exchanged (Na + , Cs + , Cd 2+ , Li + , and NH 4 + ) $\mathrm{RHO}$ zeolites

Synthetic zeolites have a myriad of applications in industry due to their porous frameworks, potential to exhibit flexibility, and specific interactions with guest molecules. One topology of zeolites, RHO, is known to be flexible and have strong interactions with both H 2 O and CO 2 . Here we have performed heat capacity measurements on three partially dehydrated zeolite RHO samples containing extra-framework cations Na + and Cs + , Cd 2+ and Cs + , and Li + and NH 4 + to understand the energetics of these materials. Based on fits of the heat capacity data, we report smooth thermodynamic functions of C p,m , Δ T 0 S m °, Δ T 0 H m °, and Φ m ° for these samples. The standard S m ° at 298.15 K are 76.3 ± 0.8, 72.1 ± 0.8, and 68.8 ± 0.7 J∙K -1 ∙mol -1 for the Na,Cs RHO, Cd,Cs RHO, and Li,NH 4 RHO samples, respectively, and the standard H m ° at 298.15 K are 12.1 ± 0.1, 11.4 ± 0.1, and 11.4 ± 0.1 kJ∙mol -1 . Our measurements also show a transition in the heat capacity of Na,Cs RHO, the sample with the highest water content, between 180 and 300 K that is not clearly observed in the other two samples. We attribute this transition to labile water and cations in the framework. This movement could also be coupled with a temperature-induced lattice expansion. Future work will include heat capacity measurements on fully dehydrated and fully hydrated zeolite RHO in order to separate these two possible phenomena.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Deformation of the $0^+_{1,2}$ states in 110 Cd from low-energy Coulomb excitation

Electromagnetic properties of 110 Cd were studied via low-energy Coulomb excitation with 32 S and 14 N beams. Magnitudes and relative signs of eight E2 matrix elements, including quadrupole moments of the $2^+_1$ and $2^+_2$ states, were determined using the least-squares code GOSIA. From those, quadrupole deformation parameters of the $0^+_{1,2,3}$ states were inferred, providing for the first time conclusive evidence for the non-axial character of the ground state in 110 Cd. The experimental results were compared with new calculations using the general quadrupole collective Bohr Hamiltonian model with SLy4 and UNEDF0 interactions. The non-axiality of the ground state is reproduced by the present calculations, independently of the interaction used.

Collective models↗
DOE OSTI2025

Selective Isolation of Surface Grain Boundaries by Oxide Dielectrics Improves Cd(Se,Te) Device Performance

Cd(Se,Te) photovoltaics (PV) are the most widely deployed thin-film solar technology globally, yet continued efficiency improvements are stymied by challenges at the device hole contacts. The inclusion of solution-processed oxide layers such as AlGaO x in the contact stack has yielded improved device open-circuit voltages (V OC ) and fill factors (FF). However, contradictory mechanisms by which these layers improve the device properties have been proposed by the research community. We demonstrate in this work that an underappreciated property of such spin-coated layers is the preferential deposition at grain boundaries, a process that isolates the grain boundaries during contact metallization. The effects of grain-boundary isolation are probed by varying the coverage of solution-processed AlGaO x “barrier” layers on the Cd(Se,Te) surface, quantified by scanning Auger microscopy. Examining coverage-dependent V OC and FF, it was observed that isolating the grain boundaries during metallization is sufficient to prevent damage to the absorber that occurs in devices lacking a barrier layer, while additional coverage contributes to the increased series resistance. Such an effect is agnostic to the material used as a barrier layer, as long as the material does not itself damage the absorber. Spin-coated SiO x was used in place of AlGaO x for an equally beneficial effect. This grain-boundary isolation phenomenon is also observed during Mo deposition and in absorbers that have been contacted with a nitrogen-doped ZnTe layer. The mechanisms by which metallization may degrade the absorber are discussed, as are contact design strategies leveraging barrier layers, which may lead to improved device efficiencies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

3D printed water-stable Cd-doped Cs 4 MnBi 2 Cl 12 /polylactic acid perovskite/polymer composites for high-flux X-ray scintillation

Stable and efficient X-ray scintillators are crucial for medical diagnostics, industrial, and defense applications. However, conventional scintillator technologies face a trade-off between stability, optimal performance, and sustainability. Herein, we introduce 3D-printed Cs 4 MnBi 2 Cl 12 (Pero1) and Cs 4 Cd 0.68 Mn 0.32 Bi 2 Cl 12 (Pero2) perovskite microcrystals embedded within a polylactic acid (PLA) polymer composite as X-ray scintillators, combining efficiency, stability, and sustainability. The orange luminescent perovskite powder phosphors exhibited poor water stability, which was successfully addressed through incorporation into PLA via filament extrusion and fused deposition modeling (FDM) 3D printing. The resulting composite films demonstrated remarkable water stability while maintaining uniform orange emission throughout the polymer matrix, as confirmed by 3D topography scanning and X-ray fluorescence mapping. Structural characterization revealed minimal chemical interaction between the perovskite and PLA matrix, with the composites retaining their crystalline properties. The PLA-Pero2 composite exhibited superior optical properties, with a photoluminescence quantum yield of 47%, nearly 17 times higher than that of PLA-Pero1 (2.8%), attributed to the effective suppression of non-radiative decay pathways through Cd 2+ doping. Under hard X-ray irradiation at synchrotron beamlines, both composites exhibited excellent radioluminescence, with emission peaks at 605 nm, a linear response across a wide X-ray flux range, and remarkable radiation stability, showing less than 3% intensity degradation after 600 seconds of continuous high-dose exposure. The PLA-Pero2 composite achieved a spatial resolution of 5 line pairs per millimeter and a contrast ratio of 0.255. These performance metrics, combined with the polymer's biodegradability and scalability through additive manufacturing, position PLA-based composites as a more sustainable alternative to conventional petroleum-based polymer scintillators for next-generation medical imaging, radiation monitoring, and industrial radiography applications.

3D Printing↗