SEARCH · Engineering Papers
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
(a) Cross-sectional TEM micrograph of 14 period InAs/GaSb SL, demonstrating abrupt interfaces; and (b) Shubnikov-de Haas oscillations testifying high mobility.
The novel semiconductor Zn 2 SbN 3 is one of a growing list of ternary nitrides with promise for optoelectronic and energy applications. Previous work by Arca et al. [Materials Horizons, 2019, 6, 1669–1974] first reported synthesis of this material, but did not explore the effects of growth conditions on material formation. In this work, we present a semi-automated study of the relationship between growth conditions and crystallinity via high-throughput RF sputtering and a custom X-ray diffraction analysis routine. Zn 2 SbN 3 is found to crystallize in a wide range of growth conditions, and the formation of several contaminant phases is examined. Electron microscopy of these secondary phases, caused both by off-stoichiometry and by growth conditions, provides insight into the growth mechanisms of Zn 2 SbN 3 . Furthermore, computational work relates this material to other Zn-based ternary nitrides and offers an explanation for the difficulty of growing cation-ordered material despite the wide range of growth conditions explored.
Here, we have recently developed a strategy to improve charge percolation efficiency in a renowned family of naphthalene-diimide bithiophene (PNDI-T2) copolymers, based on the application of a tailored thermal treatment on pre-aligned films. Here we show that the accurate choice of thermal post-processing temperatures can induce a notable lamellar thickening and an improvement of molecular alignment, the latter being favored by alkyl chains with longer branches. Correspondingly, enhanced transport properties are observed. Interestingly, these are found to be independent of lamellar thickness. In fact, within this family of molecules, characterized by a locked non-planar conformation and strong intramolecular charge localization, the orientational order within charge percolation paths was found to be the only factor dictating charge transport.
Silicon phosphides with a new structure have been synthesized. These salt inclusion materials contain exotic polycations such as [Ba 6 Cl] 11+ . The structure and properties are investigated.
Low-dimensional 0D/2D hybrid structures have sparked interest in interfacial carrier dynamics, like charge and energy transfer. They offer potential for electronic and optoelectronic devices such as transistors and photodetectors.
Interfacial doping of conjugated polymers is enabled by sequentially casting phenothiazine-based redox-active polymeric ionic liquids with TFSI − counterions.
Photocatalytic dye degradation leverages sunlight to break down dyes and pigments into safer, simpler molecules. Using a material that can absorb a broad range of the solar spectrum optimizes the speed and efficiency of this process. In this study, we explore a series of new, narrow bandgap copper iodide semiconductors (1.5–1.7 eV) with various dimensionalities (0D to 3D) to evaluate their photocatalytic efficiency in dye degradation. The most effective material achieved 95% degradation within just 27 minutes. Mass spectrometry provided a detailed insight and in-depth understanding into the degradation mechanism. All materials demonstrated excellent stability under ambient conditions, highlighting their promise as eco-friendly candidates for dye degradation in water purification.
Magnetic structure and crystal symmetry, which primarily determine the time-reversal and inversion symmetry, may give rise to numerous exotic quantum phenomena in magnetic semiconductors and semimetals when arranged in different patterns. Here, a new layered magnetic semiconductor, Eu 3-δ Zn x Sn y As 3 , was discovered and high-quality single crystals were grown using the Sn flux. According to structural characterization by x-ray diffraction and atomic-resolution scanning transmission electron microscopy, Eu 3-δ Zn x Sn y As 3 is found to crystallize in a hexagonal symmetry with the space group P6 3 /mmc (No. 194). After examining different specimens, we conclude that their stoichiometry is fixed at ~Eu 2.6 Zn 0.65 Sn 0.85 As 3 , which meets the chemical charge balance. Eu 3-δ Zn x Sn y As 3 is composed of septuple (Eu 1-δ Sn y As 2 )-Eu-(Zn x As)-Eu sequences. The shortest Eu–Eu distance in the system is between two Eu layers separated by Zn x As along the c-axis. Magnetization measurement shows an antiferromagnetic ordering in Eu 3-δ Zn x Sn y As 3 at T N ~ 12 K, where the magnetic easy-axis is along the c-axis, and Mössbauer spectroscopy observes magnetic hyperfine splitting on Eu and Sn at 6 K. Magnetic anisotropy is significantly different from the ones along the ab-plane in other layered Eu-based magnetic semimetals. Heat capacity measurements confirm the magnetic transition around 12 K. Electrical resistivity measurement indicates semiconductor behavior with a band gap of ~0.86 eV. Finally, various Eu-based magnetic semiconductors could provide a tunable platform to study potential topological and magnetic properties.
Metal-halide perovskites are emerging materials for radiation sensing featuring high absorption cross section, high charge mobility, and long carrier lifetime enabling superior detection efficiencies even at room temperature. Perovskite detector technologies are more complex involving different detecting modes and device architectures. Here, to elucidate the working principles, we provide a Perspective on the device structures and the operational principles of halide perovskite direct conversion detectors for radiation sensing. We will first discuss different detection modes and introduce the commonly used device architectures and their working principles. Based on our work and pioneer developments in the field, we will next compare the performances of the reported detectors. Additionally, we will summarize the single crystal detectors and polycrystalline thin film devices and discuss their advantages and disadvantages for different applications. Finally, we provide a future Perspective on the critical problems that must be addressed to commercialize this technology.
Abstract not provided
Fully self-consistent GW (sc-GW) methods are now available to evaluate quasiparticle and spectral properties of various molecular and bulk systems. However, such techniques based on the full matrix of G and W are computationally demanding. Additionally, the routinely used single-shot GW approximation (G 0 W 0 ) has an undesirable dependency on the choice of initial exchange-correlation functional. In the literature, many so-called self-consistent GW methods are based on diagonal approximation of G and low-ranking approximation of W. It is thus worth checking how good such approximations are in comparison with the full matrix method. In this work, we consider AlAs, AlP, GaP, and ZnS as the prototype systems to perform sc-GW calculations by expressing the full G matrix using a plane-wave basis set. We compared our sc-GW results with the diagonal G and subspace W approximated sc-GW results (sc-GW-diagG and sc-GW-subW methods). In the sc-GW-diagG method, interacting G is expanded in the eigenvectors of noninteracting G such that only diagonal elements are retained, whereas the number of eigenmodes is truncated in sc-GW-subW calculations. A systematic analysis of the results obtained from the above techniques is presented. The differences in the quasiparticle band gap between the approximated and the full matrix sc-GW approaches are mostly less than 1.7%, which validates such widely adopted approximations, and also shows how such low-ranking approximation can be used to include higher-order terms such as the vertex correction.
Electronic correlations are crucial to the low-energy physics of metallic systems with localized d and f states; however, their effect on band insulators and semiconductors is typically negligible. Here, we measure the electronic structure of the half-Heusler compound FeVSb, a band insulator with a filled shell configuration of 18 valence electrons per formula unit ( s 2 p 6 d 10 ). Additionally, angle-resolved photoemission spectroscopy reveals a mass renormalization of m * / m bare = 1.4 , where m * is the measured effective mass and m bare is the mass from density functional theory calculations with no added on-site Coulomb repulsion. Our measurements are in quantitative agreement with dynamical mean-field theory calculations, highlighting the many-body origin of the mass renormalization. This mass renormalization lies in dramatic contrast to other filled shell intermetallics, including the thermoelectric materials CoTiSb and NiTiSn, and has a similar origin to that in FeSi, where Hund's coupling induced fluctuations across the gap can explain a dynamical self-energy and correlations. Our work calls for a rethinking of the role of correlations and Hund's coupling in intermetallic band insulators.
Since the successful synthesis of bulk single crystals MoN 2 and ReN 2 , which have a layered structure, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth metal (Rem) elements, and propose seven stable Rem dinitride monolayers with a 1T structure, namely, 1T-RemN 2 . We use first-principles calculations, and find that these monolayers have a ferromagnetic ground state with in-plane magnetization. Without spin-orbit coupling (SOC), the band structures are spin-polarized with Dirac points at the Fermi level. Remarkably, the 1T-LuN 2 monolayer exhibits an isotropic magnetocrystalline anisotropy energy in the xy plane with in-plane magnetization, indicating easy tunability of the magnetization direction. Additionally, when rotating the magnetization vector in the xy plane, we propose a model that accurately describes the variation of the SOC band gap and the two possible topological states (Weyl-like semimetal and Chern insulator states) whose properties are tunable. The Weyl-like semimetal state is a critical point between the two Chern insulator states with opposite sign of the Chern numbers (±1). The nontrivial band gap (up to 60.3 meV) and the Weyl-like semimetal state are promising for applications in spintronic devices.
Not provided.
Not Available
Not Available