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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 73 records · Page 4

Electronic Trap-State Modulation in Sm-Doped SnO 2 Nanofibers Enables Ultrasensitive Hydrogen Sensing

The demand for sub-ppm hydrogen (H 2 ) sensing is growing across emerging applications such as environmental monitoring, breath-based disease diagnostics, and early-stage battery failure detection. However, achieving reliable ppb-level detection with chemiresistive metal oxide sensors remains challenging. At trace gas concentrations, resistance modulation is often insufficient, particularly in the absence of noble metal catalysts. Here, we report samarium-doped tin dioxide (Sm-SnO 2 ) nanofibers in which electronic trap-state modulation is exploited to enable ultrasensitive hydrogen sensing. The 2 at% Sm-doped SnO 2 nanofibers exhibited markedly enhanced H 2 sensitivity, achieving clear detection down to 25 ppb H 2 at 200 °C, with a theoretical limit of detection of 4.5 ppb, placing this material among the most sensitive noble-metal-free SnO 2 -based H 2 sensors reported to date. Mechanistic investigations through X-ray photoelectron spectroscopy and electron energy loss spectroscopy revealed that Sm 3+ doping introduces deep trap states associated with charge-compensating defect complexes. These states reduce free carrier density, increase baseline resistance, and enable trap-assisted charge release during H 2 exposure, thereby amplifying the sensing response. Trap-state engineering via rare-earth doping, exemplified by Sm-SnO 2 , provides an effective pathway for achieving ppb-level hydrogen detection in noble-metal-free chemiresistive sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spatially Precise Light‐Activated Dedoping in Wafer‐Scale MoS 2 Films

2D materials, particularly transition metal dichalcogenides (TMDCs), have shown great potential for microelectronics and optoelectronics. However, a major challenge in commercializing these materials is the inability to control their doping at a wafer scale with high spatial fidelity. Interface chemistry is used with the underlying substrate oxide and concomitant exposure to visible light in ambient conditions for photo-dedoping wafer scale MoS 2 . It is hypothesized that the oxide layer traps photoexcited holes, leaving behind long-lived electrons that become available for surface reactions with ambient air at sulfur vacancies (defect sites) resulting in dedoping. Additionally, high fidelity spatial control is showcased over the dedoping process, by laser writing, and fine control achieved over the degree of doping by modulating the illumination time and power density. This localized change in MoS 2 doping density is very stable (at least 7 days) and robust to processing conditions like high temperature and vacuum. The scalability and ease of implementation of this approach can address one of the major issues preventing the “Lab to Fab” transition of 2D materials and facilitate its seamless integration for commercial applications in multi-logic devices, inverters, and other optoelectronic devices.

14 SOLAR ENERGY↗

Large Modulation of Charge Carrier Mobility in Doped Nanoporous Organic Transistors

Molecular doping of organic electronics has shown promise to sensitively modulate important device metrics. One critical challenge is the disruption of structure order upon doping of highly crystalline organic semiconductors, which significantly reduces the charge carrier mobility. This paper demonstrates a new method to achieve large modulation of charge carrier mobility via channel doping without disrupting the molecular ordering. Central to the method is the introduction of nanopores into the organic semiconductor thin films via a simple and robust templated meniscus-guided coating method. Using this method, the charge carrier mobility of C 8 -benzothieno[3,2-b]benzothiophene transistors is boosted by almost sevenfold. This paper further demonstrates enhanced electron transport by close to an order of magnitude in a diketopyrrolopyrrole-based donor–acceptor polymer. Combining spectroscopic measurements, density functional theory calculations, and electrical characterizations, the doping mechanism is identified as partial-charge-transfer induced trap filling. The nanopores serve to enhance the dopant/organic semiconductor charge transfer reaction by exposing the π-electrons to the pore wall.

36 MATERIALS SCIENCE↗

Nitrogen-doped graphene nanomaterials for electrochemical catalysis/reactions: A review on chemical structures and stability

The electronic structure of the carbon-based nanomaterials can be modulated by doping heteroatoms into them. When nitrogen is doped into the graphene structure with different bonding configurations, it changes the material's electronic properties in a variety of ways. Because of the tuned electronic properties, nitrogen-doped graphene (N-G) is applicable in electrochemical systems as catalyst. Despite having tremendous prospects, a holistic view of the structural and functional properties of N-G is still unclear. Moreover, to our knowledge, significant findings on the properties of N-G are not well documented yet, which creates an obstacle to the further improvement of this nanomaterial. Keeping our focus on the catalytic activities, in this paper, we presented an in-detailed review of the overall chemical structure and functional properties of N-G nanomaterials. Starting from the structural properties of major precursor materials for N-G synthesis, we reviewed the physical features and its dependence on the synthesis parameters. Also, a detailed study has been conducted on the key nitrogen functional groups' structural properties, favorable formation environment, influence on the electronic structure of N-G, and role in the catalytic activity. Finally, current progress on the stability of N-G nanocatalysts is reported with an insight into the degradation mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Controlling the Magnetic Anisotropy of the van der Waals Ferromagnet Fe 3 GeTe 2 through Hole Doping

Identifying material parameters affecting properties of ferromagnets is key to optimized materials that are better suited for spintronics. Magnetic anisotropy is of particular importance in van der Waals magnets, since it not only influences magnetic and spin transport properties, but also is essential to stabilizing magnetic order in the two-dimensional limit. Here, we report that hole doping effectively modulates the magnetic anisotropy of a van der Waals ferromagnet and explore the physical origin of this effect. We report Fe 3–x GeTe 2 nanoflakes show a significant suppression of the magnetic anisotropy with hole doping. Electronic structure measurements and calculations reveal that the chemical potential shift associated with hole doping is responsible for the reduced magnetic anisotropy by decreasing the energy gain from the spin–orbit induced band splitting. Our findings provide an understanding of the intricate connection between electronic structures and magnetic properties in two-dimensional magnets and propose a method to engineer magnetic properties through doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Laser writing of nitrogen-doped silicon carbide for biological modulation

Conducting or semiconducting materials embedded in insulating polymeric substrates can be useful in biointerface applications; however, attainment of this composite configuration by direct chemical processes is challenging. Laser-assisted synthesis has evolved as a fast and inexpensive technique to prepare various materials, but its utility in the construction of biophysical tools or biomedical devices is less explored. Here, we use laser writing to convert portions of polydimethylsiloxane (PDMS) into nitrogen-doped cubic silicon carbide (3C-SiC). The dense 3C-SiC surface layer is connected to the PDMS matrix via a spongy graphite layer, facilitating electrochemical and photoelectrochemical activity. We demonstrate the fabrication of arbitrary two-dimensional (2D) SiC-based patterns in PDMS and freestanding 3D constructs. To establish the functionality of the laser-produced composite, we apply it as flexible electrodes for pacing isolated hearts and as photoelectrodes for local peroxide delivery to smooth muscle sheets.

59 BASIC BIOLOGICAL SCIENCES↗

Synergistic Doping and Intercalation: Realizing Deep Phase Modulation on MoS 2 Arrays for High-Efficiency Hydrogen Evolution Reaction

A synergistic N doping plus PO 4 3- intercalation strategy is used to induce high conversion (ca. 41%) of 2H-MoS 2 into 1T-MoS, which is much higher than single N doping (ca. 28 %) or single PO 4 3- intercalation ca. 10%). A scattering mechanism is proposed to illustrate the synergistic phase transformation from the 2H to the 1T phase, which was confirmed by synchrotron radiation and.spherical aberration TEM. To further enhance reaction kindies, the designed (N, PO 4 3- )-MoS 2 nanosheds are combined with conductive vertical graphene (VG) skeleton forming binder-free arrays fir high efficiencyhydrogen evolution reaction (HER). Owing 10 the decreased band gap, lower d-band censer, and smaller hydrogen adsorption/desorption energy, the designed (NPO 4 3- )-MoSJVG electrode shows excellent HER perfor mance with a lower Tafel slope and overpotential than N-MoS 2 /VG, PO 4 3- -MoS 2 /VG counterparts, and other Mo-base catalysts in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lifting Triplet Degeneracy Through Organic‐Cation Driven Structural Perturbation to Modulate Luminescence of Sb 3+ ‐Doped Double Perovskite

The spin-orbit coupling (SOC) and the Jahn-Teller effect (JTE) alter the orbital degeneracy in materials, leading to unique optical, electronic, and magnetic properties essential in spintronics, quantum computing, and light-emitting diodes (LEDs). Here, the study employs luminescent p-xylylenediammonium (PXA) instead of Cs+ in Cs2NaInCl6 to yield 2D Sb3+-doped (PXA)2NaInCl8 double perovskite and demonstrates a non-degenerate triplet state resulting from enhanced JTE in the strong SOC regime, featuring distinct emission centers. Consequently, a broadband emission from both PXA and [SbCl6]3− spans the entire spectrum (350–750 nm), representing a rare single-source multi-emissive 2D perovskite. With in-depth comparative structural, temperature-dependent photo-physical, and theoretical studies, it is elucidated that the synergistic effect of SOC and JTE on the Eg and T2g lattice modes modulate the electronic structure of [SbCl6]3− by splitting the doubly degenerate E levels of 3 T$^{*}_{1u}$ into non-degenerate states. The physical model, supported by theoretical studies, explains the energy level splitting required to realize two kinds of radiative minima in the relaxed excited state.

36 MATERIALS SCIENCE↗

Realization of a Hole-Doped Mott Insulator on a Triangular Silicon Lattice

The physics of doped Mott insulators is at the heart of some of the most exotic physical phenomena in materials research including insulator-metal transitions, colossal magnetoresistance, and high-temperature superconductivity in layered perovskite compounds. Advances in this field would greatly benefit from the availability of new material systems with a similar richness of physical phenomena but with fewer chemical and structural complications in comparison to oxides. In this paper, using scanning tunneling microscopy and spectroscopy, we show that such a system can be realized on a silicon platform. The adsorption of one-third monolayer of Sn atoms on a Si(111) surface produces a triangular surface lattice with half filled dangling bond orbitals. Modulation hole doping of these dangling bonds unveils clear hallmarks of Mott physics, such as spectral weight transfer and the formation of quasiparticle states at the Fermi level, well-defined Fermi contour segments, and a sharp singularity in the density of states. These observations are remarkably similar to those made in complex oxide materials, including high-temperature superconductors, but highly extraordinary within the realm of conventional $sp$-bonded semiconductor materials. Finally, it suggests that exotic quantum matter phases can be realized and engineered on silicon-based materials platforms.

36 MATERIALS SCIENCE↗

Gate-Tunable Proximity Effects in Graphene on Layered Magnetic Insulators

The extreme versatility of van der Waals materials derives from their ability to exhibit new electronic properties when assembled in proximity with dissimilar crystals. 1 For example, although graphene is inherently non-magnetic, recent work has reported a magnetic proximity effect in graphene interfaced with magnetic substrates, potentially enabling a pathway towards achieving a high-temperature quantum anomalous Hall effect. Here, we investigate heterostructures of graphene and chromium trihalide magnetic insulators (CrI 3 , CrBr 3 , and CrCl 3 ). Surprisingly, we are unable to detect a magnetic exchange field in the graphene, but instead discover proximity effects featuring unprecedented gate-tunability. The graphene becomes highly hole-doped due to charge transfer from the neighboring magnetic insulator, and further exhibits a variety of atypical gate-dependent transport features. The charge transfer can additionally be altered upon switching the magnetic states of the nearest CrI 3 layers. In conclusion, our results provide a roadmap for exploiting proximity effects arising in graphene coupled to magnetic insulators.

2D magnet↗

Modulational instability in oppositely doubled-doped directed couplers with a non-kerr-like nonlinear refractive-index change

We theoretically investigate modulation instability (MI) in a two-core nonlinear oppositely directed coupler with a negative-index material channel in the presence of a non-kerr-like nonlinear refractive-index change. Using linear stability analysis, we obtain an expression for the instability gain. It is found that the MI in the nonlinear two-core oppositely directed coupler is significantly influenced by the ratio of the forward- to backward-propagating wave power, nonlinearity, power and saturation. In the normal dispersion regime, the septic nonlinearity is found to suppress the MI by reducing both the gain and width of the instability nonlinearity. But in anomalous dispersion regime, the situation is different because septic nonlinearity enhances the MI by increasing both the gain and width of MI. The increase of septic nonlinearity both in normal and anomalous dispersion regimes increases the gain of the instability nonlinearity. Thus, we report new ways to generate and manipulate the MI and solitons in two-core oppositely directed couplers with a particular emphasis on a negative-index material (NIM) channel in presence of septic nonlinearity.

36 MATERIALS SCIENCE↗

Structural, Magnetic, and Giant Dielectric Properties of Gd Substituted CuFeO{sub 2} Composites

To study the effects of structural modulation by doping rare earth element on the magnetic and dielectric properties, CuFe{sub 1-x}Gd{sub x}O{sub 2} (0 ≤ x ≤ 0.2) samples are synthesized using the solid-state reaction method. The XRD and SEM results show that a small amount of Gd{sup 3+} ions (x ≤ 0.07) effectively occupies the Fe{sup 3+} site and promotes the grain growth of the CuFeO{sub 2} system. Judging from the magnetic property measurements, the samples (x = 0, 0.01) undergo two successive magnetic transitions. Further increase of x, the magnetic transition of the samples (x ≥ 0.07) has not been detected in the testing temperature range. The magnetization hysteresis loops show that all of the samples have weak ferromagnetic properties, and the saturation magnetization is obviously enhanced with increasing x. Most interestingly, the dielectric measurements suggests that CuFeO{sub 2} samples exhibit a giant dielectric constant (ε{sub γ}~10{sup 4}), and ε{sub γ} is obviously improved (~ 4.0 × 10{sup 4}) using the proper Gd content. The dielectric properties are explained using the internal barrier layer capacitance model (IBLC).

36 MATERIALS SCIENCE↗

MgZnO High Voltage Thin Film Transistors on Glass for Inverters in Building Integrated Photovoltaics

Building integrated photovoltaics (BIPV) have attracted considerable interests because of its aesthetically attractive appearance and overall low cost. In BIPV, system integration on a glass substrate like windows is essential to cover a large area of a building with low cost. But, the conventional high voltage devices in inverters have to be built on the specially selected single crystal substrates, limiting its application for large area electronic systems, such as the BIPV. We demonstrate a Magnesium Zinc Oxide (MZO) based high voltage thin film transistor (HVTFT) built on a transparent glass substrate. We designed devices with unique ring-type structures and use modulated Mg doping in the channel - gate dielectric interface, resulting in a blocking voltage of over 600 V. In addition to BIPV, the MZO HVTFT based inverter technology also creates new opportunities for emerging self-powered smart glass.

14 SOLAR ENERGY↗

Structural phase transitions of (Bi 1$-$x Sb x ) 2 (Te 1$-$y Se y ) 3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites

Recently, A 2 B 3 -type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi 2 Te 2 Se, BiSbTeSe 2 , and Sb 2 Te 2 Se tetradymites under high pressure. Bi 2 Te 2 Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi 2 Te 3 . Thus, the compression behavior of Bi 2 Te 2 Se is the same as that of Bi 2 Se 3 , which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe 2 and Sb 2 Te 2 Se undergo similar structural phase transitions to Bi 2 Te 2 Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A 2 B 3 -type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. Lastly, the influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.

36 MATERIALS SCIENCE↗

Pressure-Modulated Energy Transfer Dynamics in Mn 2+ -Doped CdS/ZnS Core/Shell Quantum Dots

Transition metal doping in semiconductor quantum dots (QDs) significantly impacts their optical properties, thus expanding the range of their potential optoelectronic applications. This study investigates the pressure-dependent energy transfer dynamics in Mn 2+ -doped CdS/ZnS core/shell QDs, focusing on how external hydrostatic pressure modulates these dynamics and optical properties. By synthesizing Mn 2+ -doped QDs with varying Mn 2+ doping concentrations, we explore the effects of the pressure on photoluminescence (PL) spectra and energy transfer efficiency. Our study reveals that increasing pressure induces a blueshift in the QD host bandgap PL and a redshift in the Mn 2+ dopant PL. The pressure-induced shifts highlight a unique modulation mechanism where the energy transfer efficiency decreases with pressure due to reduced wave function overlap between host excitons and Mn 2+ dopants. Detailed analysis of the PL quantum yields and energy transfer rate constants provides insights into these dynamics, suggesting that the pressure can effectively and reversibly regulate the energy transfer efficiencies and rates. In conclusion, these results have implications for developing pressure-sensitive configurable devices and exploring pressure-induced phenomena in doped nanomaterials.

36 MATERIALS SCIENCE↗