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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Symmetry Breaking in the Lowest-Lying Excited-State of CCl4: Valence Shell Spectroscopy in the 5.0–10.8 eV Photon Energy Range

We report absolute high-resolution vacuum ultraviolet (VUV) photoabsorption cross-sections of carbon tetrachloride (CCl4) in the photon energy range 5.0–10.8 eV (248–115 nm). The molecular spectrum and electronic structure have been comprehensively investigated together with quantum chemical calculations, providing geometries, bond lengths, vertical excitation energies and oscillator strengths. The major electronic excitations have been assigned to valence and Rydberg transitions which are also accompanied by vibrational excitation assigned to degenerate stretching, v3′t2 and degenerate deformation v4′t2 modes. The rather complex nuclear dynamics along the degenerate deformation mode, v4′t2, have been thoroughly investigated by Time-Dependent Density Functional Theory (TD-DFT) method. The relevant Jahn–Teller distortion operative within the lowest-lying electronic excited-state is shown here for the first time in order to yield a weak absorption feature at 6.156 eV. Further calculations on the potential energy curves for the singlet excited-states along the C–Cl stretching coordinate show the relevance of efficient C–Cl bond excision.

Biochemistry & Molecular Biology↗
DOE OSTI2017

Greener process to synthesize water-soluble Mn.sup.2+-doped CdSSe(ZnS) core(shell) nanocrystals for ratiometric temperature sensing, nanocrystals, and methods implementing nanocrystals

Novel Mn.sup.2+-doped quantum dots are provided. These Mn.sup.2+-doped quantum dots exhibit excellent temperature sensitivity in both organic solvents and water-based solutions. Methods of preparing the Mn.sup.2+-doped quantum dots are provided. The Mn.sup.2+-doped quantum dots may be prepared via a stepwise procedure using air-stable and inexpensive chemicals. The use of air-stable chemicals can significantly reduce the cost of synthesis, chemical storage, and the risk associated with handling flammable chemicals. Methods of temperature sensing using Mn.sup.2+-doped quantum dots are provided. The stepwise procedure provides the ability to tune the temperature-sensing properties to satisfy specific needs for temperature sensing applications. Water solubility may be achieved by passivating the Mn.sup.2+-doped quantum dots, allowing the Mn.sup.2+-doped quantum dots to probe the fluctuations of local temperature in biological environments.

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

Core-shell fuel cell electrodes

Embodiments of the disclosure relate to electrocatalysts. The electrocatalyst may include at least one gas-diffusion layer having a first side and a second side, and particle cores adhered to at least one of the first and second sides of the at least one gas-diffusion layer. The particle cores includes surfaces adhered to the at least one of the first and second sides of the at least one gas-diffusion layer and surfaces not in contact with the at least one gas-diffusion layer. Furthermore, a thin layer of catalytically atoms may be adhered to the surfaces of the particle cores not in contact with the at least one gas-diffusion layer.

30 DIRECT ENERGY CONVERSION↗