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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(FeO2)2 by Materials Project

CdFe2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Fe–O bond distances ranging from 2.01–2.09 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–58°. There are a spread of Fe–O bond distances ranging from 2.01–2.09 Å. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.39–2.65 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Fe3+ and two equivalent Cd2+ atoms to form distorted edge-sharing OCd2Fe3 square pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Fe3+ and two equivalent Cd2+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Fe3+ and two equivalent Cd2+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Fe3+ and two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(PtO2)3 by Materials Project

CdPt3O6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+3.33+ sites. In the first Pt+3.33+ site, Pt+3.33+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with two equivalent PtO6 octahedra, edges with four equivalent CdO8 hexagonal bipyramids, and edges with two equivalent PtO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two shorter (2.04 Å) and four longer (2.07 Å) Pt–O bond lengths. In the second Pt+3.33+ site, Pt+3.33+ 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 to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share edges with two equivalent CdO8 hexagonal bipyramids and edges with eight equivalent PtO6 octahedra. There are four shorter (2.33 Å) and four longer (2.53 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pt+3.33+ and one Cd2+ atom to form a mixture of distorted edge and corner-sharing OCdPt3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Pt+3.33+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd2Pt2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(SbO3)2 by Materials Project

CdSb2O6 is zeta iron carbide-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 SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cd–O bond lengths are 2.38 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent CdO6 octahedra and edges with three equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(AgI2)2 by Materials Project

Ag2CdI4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent I1- atoms to form AgI4 tetrahedra that share corners with four equivalent AgI4 tetrahedra and corners with four equivalent CdI4 tetrahedra. All Ag–I bond lengths are 2.88 Å. Cd2+ is bonded to four equivalent I1- atoms to form CdI4 tetrahedra that share corners with eight equivalent AgI4 tetrahedra. All Cd–I bond lengths are 2.86 Å. I1- is bonded in a trigonal non-coplanar geometry to two equivalent Ag1+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(BrN)2 by Materials Project

NCdN(Br)2 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules and two NCdN clusters. In each NCdN cluster, Cd2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cd–N bond lengths are 2.57 Å. N3- is bonded in a single-bond geometry to one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(NCl)2 by Materials Project

CdCl2N2 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of four ammonia molecules and two CdCl2 ribbons oriented in the (0, 0, 1) direction. In each CdCl2 ribbon, Cd2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Cd–Cl bond lengths are 2.57 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(Br3N2)2 by Materials Project

CdN(NBr2)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of twelve dibromamine molecules and two CdN ribbons oriented in the (0, 0, 1) direction. In each CdN ribbon, Cd2+ is bonded in a linear geometry to two equivalent N1+ atoms. Both Cd–N bond lengths are 1.99 Å. N1+ is bonded in a linear geometry to two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(Mo3S4)2 by Materials Project

Cd1Mo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.42–2.51 Å. Cd2+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are two shorter (2.46 Å) and six longer (3.25 Å) Cd–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Mo+2.33+ and one Cd2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.33+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(Mo3Se4)2 by Materials Project

Cd1Mo6Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.33+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.72 Å. Cd2+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.64 Å) and six longer (3.27 Å) Cd–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to three equivalent Mo+2.33+ and one Cd2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.33+ and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(C5N)12 by Materials Project

CdN10(C)60N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules, sixty medicinal charcoal molecules, and one CdN10 cluster. In the CdN10 cluster, Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.15–2.19 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cd2+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Cd2+ and one N3- atom. The N–N bond length is 3.27 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two N3- atoms. The N–N bond length is 3.38 Å. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Cd2+ and two N3- atoms. The N–N bond length is 3.14 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(N2Cl3)2 by Materials Project

CdN(NCl2)3 crystallizes in the trigonal R-3c space group. The structure is one-dimensional and consists of eighteen dichloramine molecules and three CdN ribbons oriented in the (0, 0, 1) direction. In each CdN ribbon, Cd2+ is bonded in a linear geometry to two equivalent N1+ atoms. Both Cd–N bond lengths are 1.99 Å. N1+ is bonded in a linear geometry to two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(IN)4 by Materials Project

CdI4(N2)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of eight ammonia molecules and two CdI4 ribbons oriented in the (1, 0, 1) direction. In each CdI4 ribbon, Cd2+ is bonded in a linear geometry to two equivalent I1- atoms. Both Cd–I bond lengths are 2.75 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Cd2+ and one I1- atom. The I–I bond length is 3.36 Å. In the second I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. The I–I bond length is 2.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(Br3N2)2 by Materials Project

(Cd)2N2(NBr2)6 crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of six ammonia molecules, six cadmium molecules, and eighteen dibromamine molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(N2Cl3)2 by Materials Project

CdN(NCl2)3 crystallizes in the trigonal R-3c space group. The structure is one-dimensional and consists of eighteen dichloramine molecules and three CdN ribbons oriented in the (0, 0, 1) direction. In each CdN ribbon, Cd2+ is bonded in a linear geometry to two equivalent N1+ atoms. Both Cd–N bond lengths are 1.98 Å. N1+ is bonded in a linear geometry to two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd(N2O3)2 by Materials Project

(Cd)2N2(NO2)6 is Cyanogen Chloride-like structured and crystallizes in the cubic Pm-3 space group. The structure is zero-dimensional and consists of one ammonia molecule; one cadmium molecule; and three hydroxylamine, n-hydroxy- molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Identifying Suitable Front Contacts for High‐Efficiency Cd(Se,Te) Solar Cells on Space‐Qualified Cover Glass

Deployment of photovoltaics in space requires devices that combine high-efficiency, low areal mass, and resilience to harsh environments. Historically, high-efficiency multijunction III–V materials have dominated space power systems; however, their high cost and limited manufacturing throughput motivate the exploration of scalable alternatives. While CdTe-based thin-film photovoltaics offer an attractive option, their performance on non-conventional substrates can suffer from front contact instability under higher-temperature processing. Here, the role of front contact chemistry in limiting cell performance is investigated using CdTe-based devices fabricated on 150 μm thick Ceria-doped space-qualified 0214 Corning glass. A matrix of four transparent conducting oxides (TCOs: CTO, AZO, ITO, IZO) combined with two n-type emitters (MZO, IGO) reveals chemical stability at the front interface—rather than absorber composition alone—governs recombination losses, voltage deficits, and device reproducibility. Chemically stable front contact combinations suppress elemental diffusion and interfacial degradation, resulting in significantly improved carrier lifetimes and junction quality. These insights are validated through record-certified Cd(Se,Te) cell efficiencies of 18.4% under AM1.5G and 16.2% under AM0 illumination on ultra-thin glass. Beyond CdTe, this work provides a general framework for the rational selection of TCO/emitter interfaces in superstrate thin-film photovoltaics, including emerging technologies like metal halide perovskites, while enabling high-efficiency, lightweight photovoltaics for space applications.

14 SOLAR ENERGY↗
DOE OSTI2021

Random Matrix Theory in Cd isotopes

Random matrix theory (RMT) is used to provide a measure of the chaoticity (q) of calculated results for the spectra for various Cd isotopes. Here, the goal is to gain a better understanding of the internal dynamics in play; namely, whether it tracks with regular or irregular (chaotic) behavior as determined through an RMT analyses of calculated spectra. The basis-state configurations used to determine the spectra includes all positive, negative, natural (J π = 1 – , 2 + , ...), and unnatural parity configurations (J π = 0 – , 1 + , 2 – , ...), unless suppressed for comparative purposes. The results show that when intruder-state configurations are in play, regular behavior emerges, but when not in play, chaotic behavior seems to dominate the dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Multifunction Hydrophobic Ligand Engineered Cd(S, Se)/ZnS Quantum Dots for Stabilizing Highly Efficient Carbon‐Based Perovskite Solar Cells

The long-term operational stability of perovskite solar cells (PSCs) remains a key challenge impeding their commercialization, particularly due to ambient environments (e.g., moisture, oxygen, heat)-induced degradation. Carbon electrode-based PSCs have emerged as cost-effective and relatively stable alternatives to metal electrode-based devices due to carbon materials' hydrophobic behavior, yet they still lag in both long-term durability and power conversion efficiency (PCE). In this work, an ultrathin hydrophobic ligand-modified core–shell Cd(S,Se)/ZnS quantum dots (QDs) capping layer is introduced as a multifunctional interfacial modifier for carbon-electrode-based PSCs. This oleic acid ligand-modified QDs capping layer exhibits inherent hydrophobicity, effectively serving as a moisture barrier to retard perovskite degradation under ambient conditions. Furthermore, the strong interfacial bonding between the QDs and perovskite halide surfaces leads to efficient trap state passivation, reducing trap density and creating a more uniform electrical contact. The modified QDs/perovskite interface also features an elevated conduction band edge, promoting improved charge extraction. As a result, devices incorporating this quantum dot capping layer retain 98% of their initial PCE after 450 h of ambient aging and achieve a champion efficiency of 20.74%. As a result, this strategy highlights the potential of hydrophobic ligand-modified chalcogenide QDs as surface modifiers to enhance both the stability and performance of carbon-based PSCs, offering a promising route toward scalable fabrication of durable perovskite solar modules.

14 SOLAR ENERGY↗