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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Neutron Reflectometry Reveals Diffusion in Contrast-Matched Brush Particle Bilayers

A material system for performing layer-spread experiments on brush particle bilayers is presented and used to determine the diffusion constant of brush particles in the melt state. Selective deuteration of the core and shell of organo-silica nanoparticles grafted with poly(methyl methacrylate) was used to match the scattering length density of the core and the polymer canopy layer. This subdued the scattering of particle cores (i.e., formfactor scattering) and enabled the analysis of the interdiffusion kinetics using neutron reflectivity. For low molecular grafts, i.e., grafts with a molecular weight below the entanglement limit, the interdiffusion kinetics revealed both a sub- and Fickian diffusion regime. The former was attributed to the local dynamics that was constrained by the slow-moving cores of neighboring brush particles that acted as long-lived physical cross-links. No transition to Fickian diffusion was observed for entangled systems, even at prolonged annealing times. This suggested a higher level of kinetic restraint in entangled brush particle melts as compared to, for example, star polymers with a comparable chain length for which Fickian diffusion has been reported under similar conditions.

Diffusion, Polymer Grafted Nanoparticles, Neutron ↗
DOE OSTI2020

Emission Control from Transition Metal Dichalcogenide Monolayers by Aggregation-Induced Molecular Rotors

Organic–inorganic (O–I) heterostructures, consisting of atomically thin inorganic semiconductors and organic molecules, present synergistic and enhanced optoelectronic properties with a high tunability. Here, we develop a class of air-stable vertical O–I heterostructures comprising a monolayer of transition-metal dichalcogenides (TMDs), including WS 2 , WSe 2 , and MoSe 2 , on top of tetraphenylethylene (TPE) core-based aggregation-induced emission (AIE) molecular rotors. The created O–I heterostructures yields a photoluminescence (PL) enhancement of up to ~950%, ~500%, and ~330% in the top monolayer WS 2 , MoSe 2 , and WSe 2 as compared to PL in their pristine monolayers, respectively. The strong PL enhancement is mainly attributed to the efficient photogenerated carrier process in the AIE luminogens (courtesy of their restricted intermolecular motions in the solid state) and the charge-transfer process in the created type I O–I heterostructures. Moreover, we observe an improvement in photovoltaic properties of the TMDs in the heterostructures including the quasi-Fermi level splitting, minority carrier lifetime, and light absorption. Overall, this work presents an inspiring example of combining stable, highly luminescent AIE-based molecules, with rich photochemistry and versatile applications, with atomically thin inorganic semiconductors for multifunctional and efficient optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2021

Coherent Electronic Band Structure of TiTe 2 /TiSe 2 Moiré Bilayer

Here, a van der Waals bonded moiré bilayer formed by sequential growth of TiSe 2 and TiTe 2 monolayers exhibits emergent electronic structure as evidenced by angle-resolved photoemission band mapping. The two monolayers adopt the same lattice orientation but incommensurate lattice constants. Despite the lack of translational symmetry, sharp dispersive bands are observed. The dispersion relations appear distinct from those for the component monolayers alone. Theoretical calculations illustrate the formation of composite bands by coherent electronic coupling despite the weak interlayer bonding, which leads to band renormalization and energy shifts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Realization of AlSb in the Double-Layer Honeycomb Structure: A Robust Class of Two-Dimensional Material

Exploring new two-dimensional (2D) van der Waals (vdW) systems is at the forefront of materials physics. Here, through molecular beam epitaxy on graphene-covered SiC(0001), we report successful growth of AlSb in the double-layer honeycomb (DLHC) structure, a 2D vdW material which has no direct analogue to its 3D bulk and is predicted kinetically stable when freestanding. The structural morphology and electronic structure of the experimental 2D AlSb are characterized with spectroscopic imaging scanning tunneling microscopy and cross-sectional imaging scanning transmission electron microscopy, which compare well to the proposed DLHC structure. The 2D AlSb exhibits a bandgap of 0.93 eV versus the predicted 1.06 eV, which is substantially smaller than the 1.6 eV of bulk. We also attempt the less-stable InSb DLHC structure; however, it grows into bulk islands instead. Here, the successful growth of a DLHC material here opens the door for the realization of a large family of novel 2D DLHC traditional semiconductors with unique excitonic, topological, and electronic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Crossover from 2D Ferromagnetic Insulator to Wide Band Gap Quantum Anomalous Hall Insulator in Ultrathin MnBi 2 Te 4

Intrinsic magnetic topological insulators offer low disorder and large magnetic band gaps for robust magnetic topological phases operating at higher temperatures. By controlling the layer thickness, emergent phenomena such as the quantum anomalous Hall (QAH) effect and axion insulator phases have been realized. Furthermore, these observations occur at temperatures significantly lower than the Néel temperature of bulk MnBi 2 Te 4 , and measurement of the magnetic energy gap at the Dirac point in ultrathin MnBi 2 Te 4 has yet to be achieved. Critical to achieving the promise of this system is a direct measurement of the layer-dependent energy gap and verification of a temperature-dependent topological phase transition from a large band gap QAH insulator to a gapless TI paramagnetic phase. Here we utilize temperature-dependent angle-resolved photoemission spectroscopy to study epitaxial ultrathin MnBi 2 Te 4 . We directly observe a layer-dependent crossover from a 2D ferromagnetic insulator with a band gap greater than 780 meV in one septuple layer (1 SL) to a QAH insulator with a large energy gap (>70 meV) at 8 K in 3 and 5 SL MnBi 2 Te 4 . The QAH gap is confirmed to be magnetic in origin, as it becomes gapless with increasing temperature above 8 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The Magnetic Genome of Two-Dimensional van der Waals Materials

Magnetism in two-dimensional (2D) van der Waals (vdW) materials has recently emerged as one of the most promising areas in condensed matter research, with many exciting emerging properties and significant potential for applications ranging from topological magnonics to low-power spintronics, quantum computing, and optical communications. In the brief time after their discovery, 2D magnets have blossomed into a rich area for investigation, where fundamental concepts in magnetism are challenged by the behavior of spins that can develop at the single layer limit. However, much effort is still needed in multiple fronts before 2D magnets can be routinely used for practical implementations. In this comprehensive review, prominent authors with expertise in complementary fields of 2D magnetism (i.e., synthesis, device engineering, magneto-optics, imaging, transport, mechanics, spin excitations, and theory and simulations) have joined together to provide a genome of current knowledge and a guideline for future developments in 2D magnetic materials research.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Uncovering an Interfacial Band Resulting from Orbital Hybridization in Nickelate Heterostructures

The interaction of atomic orbitals at the interface of perovskite oxide heterostructures has been investigated for its profound impact on the band structures and electronic properties, giving rise to unique electronic states and a variety of tunable functionalities. In this study, we conducted an extensive investigation of the optical and electronic properties of epitaxial NdNiO 3 thin films grown on a series of single crystal substrates. Unlike films synthesized on other substrates, NdNiO 3 on SrTiO 3 (NNO/STO) gives rise to a unique band structure which features an additional unoccupied band situated above the Fermi level. Our comprehensive investigation, which incorporated a wide array of experimental techniques and density functional theory calculations, revealed that the emergence of the interfacial band structure is primarily driven by the orbital hybridization between Ti 3d orbitals of the STO substrate and O 2p orbitals of the NNO thin film. Furthermore, exciton peaks have been detected in the optical spectra of the NNO/STO film, attributable to the pronounced electron-electron (e-e) and electron-hole (e-h) interactions propagating from the STO substrate into the NNO film. Further, these findings underscore the substantial influence of interfacial orbital hybridization on the electronic structure of oxide thin-films, thereby offering key insights into tuning their interfacial properties.

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

Photoreversible Color-Switching Cu-Doped TiO2 Nanoparticles for High-Contrast Rewritable Printing

Light-printable rewritable paper that can be used multiple times has attracted extensive attention because of its potential benefits in reducing environmental pollution and energy consumption. Developing rewritable paper with high black-to-colorless contrast, lasting legibility, and a fast response is fascinating but challenging. Here, we integrate the redox chemistry of Cu2+ ions into photoreductive TiO2 nanoparticles to produce Cu-doped TiO2 nanoparticles capable of highly photoreversible switching between colorless and black with excellent contrast and color stability. Incorporating such nanoparticles into hydroxyethyl cellulose produces a rewritable paper with the same appearance as that of conventional paper. More importantly, it demonstrates great features promising for practical applications, including high black-to-colorless contrast, fast light-printing (<20 s), long legible time (>3 days), high reversibility (>50 cycles), high resolution (90 μm), and large scale (A4 size) applicability.

Wang, Wenshou↗