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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Three-dimensional hierarchically porous MoS 2 foam as high-rate and stable lithium-ion battery anode

Architected materials that actively respond to external stimuli hold tantalizing prospects for applications in energy storage, wearable electronics, and bioengineering. Molybdenum disulfide, an excellent two-dimensional building block, is a promising candidate for lithium-ion battery anode. However, the stacked and brittle two-dimensional layered structure limits its rate capability and electrochemical stability. Here we report the dewetting-induced manufacturing of two-dimensional molybdenum disulfide nanosheets into a three-dimensional foam with a structural hierarchy across seven orders of magnitude. Our molybdenum disulfide foam provides an interpenetrating network for efficient charge transport, rapid ion diffusion, and mechanically resilient and chemically stable support for electrochemical reactions. These features induce a pseudocapacitive energy storage mechanism involving molybdenum redox reactions, confirmed by in-situ X-ray absorption near edge structure. The extraordinary electrochemical performance of molybdenum disulfide foam outperforms most reported molybdenum disulfide-based Lithium-ion battery anodes and state-of-the-art materials. This work opens promising inroads for various applications where special properties arise from hierarchical architecture.

25 ENERGY STORAGE↗
DOE OSTI2022

Electron–phonon interaction and ultrafast photoemission from doped monolayer MoS 2

We have examined the effect of electron–phonon coupling on photoluminescence and ultrafast response of electron doped monolayer MoS2, using a combination of density functional theory, time dependent density functional theory, and many-body theory. For small doping (~1–3%) of interest here, the electron–phonon coupling parameter is modest (~0.1–0.2) but its effect on the emissive properties and response of the system to femtosecond (fs) laser pulses is striking. We find an ultrafast (fs) relaxation of the electronic subsystem as well as a high fluence of visible light emission induced by electron phonon interaction. Together with high carrier mobility, these features of monolayer MoS2 may be relevant for optoelectronic technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Adsorption of Ag, Au, Cu, and Ni on MoS 2 : theory and experiment

Abstract Here, we present results of a computational and experimental study of adsorption of various metals on MoS2. In particular, we analyzed the binding mechanism of four metallic elements (Ag, Au, Cu, Ni) on MoS2. Among these elements, Ni exhibits the strongest binding and lowest mobility on the surface of MoS2. On the other hand, Au and Ag bond very weakly to the surface and have very high mobilities. Our calculations for Cu show that its bonding and surface mobility are between these two groups. Experimentally, Ni films exhibit a composition characterized by randomly oriented nanoscale clusters. This is consistent with the larger cohesive energy of Ni atoms as compared with their binding energy with MoS2, which is expected to result in 3D clusters. In contrast, Au and Ag tend to form atomically flat plateaued structures on MoS2, which is contrary to their larger cohesive energy as compared to their weak binding with MoS2. Cu displays a surface morphology somewhat similar to Ni, featuring larger nanoscale clusters. However, unlike Ni, in many cases Cu exhibits small plateaued surfaces on these clusters. This suggests that Cu likely has two competing mechanisms that cause it to span the behaviors seen in the Ni and Au/Ag film morphologies. These results indicate that calculations of the initial binding conditions could be useful for predicting film morphologies. In addition, out calculations show that the adsorption of adatoms with odd electron number like Ag, Au, and Cu results in 100% spin-polarization and integer magnetic moment of the system. Adsorption of Ni adatoms, with even electron number, does not induce a magnetic transition.

Harms, Haley↗