Advances and Prospects of High-Voltage Spinel Cathodes for Lithium-Based Batteries
Abstract not provided.
Chemistry↗
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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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Enhancing the Multifunctional Photocatalytic Activity of Sustainable Magnetic Nanoparticles
The development of efficient photocatalytic materials has intensified in response to increasing emphasis on sustainable energy conversion and environmental restoration. However, the excessive use and indiscriminate release of heavy metals from photocatalytic nanoparticles pose potential environmental risks. This study provides insights into optimizing visible-light-active photocatalysts to enhance their photocatalytic properties and stability. Specifically, cobalt doping and controlled pH modulation are employed on the modified Fe 3 O 4 , forming two distinct samples: Co@Fe 3 O 4 -B (base-treated) and Co@Fe 3 O 4 -A (acid-treated) nanoparticles. Microscopic characterization reveals that Co@Fe 3 O 4 -A undergoes a phase transition to hematite, whereas Co@Fe 3 O 4 -B retains its mixed-phase configuration. Spectroscopic analyses confirm that the cobalt dopants decorate the outskirts of each nanoparticle, forming a core–shell structure. However, Co@Fe 3 O 4 -B exhibit Co 2+ states with a high oxygen vacancy content, whereas Co@Fe 3 O 4 -A contain mixed Co 2+/3+ states. The high density of defect states in the Co@Fe 3 O 4 -B results in superior photocatalytic efficiency, achieving near-complete oxidation of furfuraldehyde (97% conversion) and 5-hydroxymethylfurfural (94% conversion), as well as effective degradation of toluene (78% conversion). This study demonstrates that the combined approach of doping and pH treatment is promising for the surface-defect engineering of photocatalysts, enhancing their multifunctional performance and reusability for sustainable energy conversion.
Fe3 O4 nanoparticles↗
Land cover change-induced decline in terrestrial gross primary production over the conterminous United States from 2001 to 2016
As one of the most dynamic aspects of global environmental change, land cover change (LCC) has a profound impact on terrestrial carbon sequestration. However, LCC-induced carbon fluxes are still the most uncertain terms in global and regional carbon budgets. Ecosystem gross primary production (GPP) is the total carbon uptake by vegetation through photosynthesis, serving as a major control on ecosystem function and land carbon balance during and after the modification of the land surface. However, accurately capturing LCC-induced GPP changes requires both high-quality land cover data and controlling for variation driven by other environmental factors such as climate. In this study, we comprehensively examined the effects of LCC on annual GPP trends over the conterminous United States (CONUS) from 2001 to 2016 using the USGS National Land Cover Database, a remote sensing-driven ecosystem model, and the Google Earth Engine cloud computing platform. We designed a series of model experiments to identify LCC effects on GPP by controlling climate effects. During the study period, LCC exerted a strong negative effect on total GPP across the CONUS ([-2.2, -1.8] Tg C yr -2 ), while climate had smaller positive effects ([0.17, 0. 92] Tg C yr -2 ). The LCC-induced reduction of GPP was mainly caused by net forest loss ([-1.98, -1.39] Tg C yr -2 ) and urban expansion ([-2.03, -1.92] Tg C yr -2 ), but was partially offset by increases in crop area ([+0.66, +0.79] Tg C yr -2 ). Ensemble simulations from TRENDY did not capture the strong negative LCC influences on GPP, likely due to limitations of the adopted land use/cover data. Overall, our study provides a novel perspective on LCC-induced GPP changes, which could help to improve our understanding of ecosystem function changes and constrain the estimation of land carbon balance in the context of anthropogenic activity and climate change.
54 ENVIRONMENTAL SCIENCES↗
Increased cellular uptake of peptide-modified PEGylated gold nanoparticles
Gold nanoparticles are promising drug delivery vehicles for nucleic acids, small molecules, and proteins, allowing various modifications on the particle surface. However, the instability and low bioavailability of gold nanoparticles compromise their clinical application. Here, we functionalized gold nanoparticles with CPP fragments (CALNNPFVYLI, CALRRRRRRRR) through sulfhydryl PEG to increase their stability and bioavailability. The resulting gold nanoparticles were characterized with transmission electron microscopy (TEM), dynamic light scattering (DLS), UV-visible spectrometry and X-ray photoelectron spectroscopy (XPS), and the stability in biological solutions was evaluated. Comparing to PEGylated gold nanoparticles, CPP (CALNNPFVYLI, CALRRRRRRRR)-modified gold nanoparticles showed 46 folds increase in cellular uptake in A549 and B16 cell lines, as evidenced by the inductively coupled plasma atomic emission spectroscopy (ICP-AES). The interactions between gold nanoparticles and liposomes indicated CPP-modified gold nanoparticles bind to cell membrane more effectively than PEGylated gold nanoparticles. Surface plasmon resonance (SPR) was used to measure interactions between nanoparticles and the membrane. TEM and uptake inhibitor experiments indicated that the cellular entry of gold nanoparticles was mediated by clathrin and macropinocytosis. Other energy independent endocytosis pathways were also identified. Our work revealed a new strategy to modify gold nanoparticles with CPP and illustrated the cellular uptake pathway of CPP-modified gold nanoparticles.
60 APPLIED LIFE SCIENCES↗
Hierarchical Defect Engineering for LiCoO 2 through Low-Solubility Trace Element Doping
Real-world industry-relevant battery composite electrodes are hierarchically structured. Their structural and chemical complexity is featured by ubiquitous multi-scale porosity and cracks, solid-solid and solid-liquid interfaces, compositional and redox heterogeneity, as well as lattice disordering and deformation. In particular for the active cathode particles, which are the fundamental building blocks for the energy reservoir, it is a consensus that these structural and chemical defects could have a profound impact on the battery performance. An in-depth understanding of the underlying mechanisms could critically inform the cathode material engineering, which would have a tremendous potential but remains a daunting challenge at present. In this work, we tackle this question by studying LiCoO 2 (LCO) with trace doping of Ti, which exhibits a low solubility in the LCO layered lattice. Additionally, we observed the spontaneous and heterogeneous segregation of the dopant (Ti) across a wide range of length scales. In addition to the modification of the particle surface and the buried grain boundaries within the particle, we reveal that the Ti doping has induced a significant amount of lattice distortions, which, in turn, promotes the robustness of the LCO lattice at high state of charge (above 4.5V). Our result formulates a multi-scale defect engineering strategy that could be applicable to the synthesis of a broad range of energy materials for applications in batteries and beyond.
36 MATERIALS SCIENCE↗
Morphology engineering of iridium electrodes via modifying titanium substrates with controllable pillar structures for highly efficient oxygen evolution reaction
Nowadays, Ti is the well-chosen anode substrate material for proton exchange membrane electrolyzer cells (PEMECs) and modifications of the substrate surfaces are essential for the fabrication of highly efficient electrodes. Herein, we introduce the morphology engineering of Ir/Ti electrodes with different acid treatments of hydrochloric acid (HCl) and oxalic acid (OA), and the comparative benefits of these two acid treatment methods are studied from the aspects of their impacts on the morphology, interfacial contact resistance (ICR), and oxygen evolution reaction (OER) performances of resultant electrodes. Notably, compared to the flat surface from OA treatment, Ti substrates with the pillar structure could be successfully achieved via HCl etching. Further, the HCl and the oxalic acid (OA) treatments would reduce the interfacial contact resistance (ICR) to 15.2% and 5.5% of the pristine Ti substrate at 1.38 MPa, respectively. By iridium electrodeposition on Ti substrates, Ir/Ti electrodes with different catalyst loadings are fabricated. With similar low-loadings of about 0.05 mgIr cm –2 , an Ir/Ti electrode with HCl treated substrate exhibits a lower overpotential of ~283 mV at 10 mA cm –2 current density than 305 mV from OA treatment, due to the boosted reaction areas from HCl treatment.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Cave-based chronology of valley incision in the glaciated Northern Carpathians
While glaciers leave a mark on mountain landscapes, the importance of glacial erosion in mountains at a global scale remains insufficiently constrained despite over a century of research aimed at quantifying the rates and magnitudes of such erosion. Measuring rates of landscape change across the Quaternary in repeatedly glaciated mountain landscapes requires the ability to accurately partition the relative role of glacial versus fluvial processes in forming relief; however, the modification of landforms by surface erosion hinders quantification of process rates over the last few million years. This study presents 32 paired 26 Al and 10 Be cosmogenic nuclide burial ages from allochthonous, quartz-bearing sediment deposited within a paleophreatic karst system in the northern Carpathians. These data quantify Pliocene-to-present timing of valley incision and karst system reactivation, as well as erosion rates over time. Post-burial, muon production-correction yields 24 fully resolved ages, six minimum ages, and two unresolvable ages. Burial ages are interpreted to document the tempo of valley incision via phreatic passage formation and reveal that ∼80% of current valley relief (∼700 m) had developed by approximately 1.6 Ma. Paleoerosion rates derived from this dataset suggest little change in the processes generating sediment washed into the karst networks since the Pliocene. These results suggest that river incision dominated relief creation in Carpathian valleys that bear the imprint of glaciation. Our findings suggest the importance of investigating other mid-latitude mountainous regions worldwide to determine if they have similar erosion and topographic histories.
Carpathians↗
Research advances on cobalt-free cathodes for Li-ion batteries - The high voltage LiMn 1.5 Ni 0.5 O 4 as an example
LiMn 1.5 Ni 0.5 O 4 is one of the most promising cathode materials for use in either next generation lithium-ion batteries or all solid-state batteries. However, despite the significant Research and Development (R&D) carried out throughout the last two decades the material has not made serious inroads into market. One of the major reasons is the lack of consistency in the reported intrinsic properties and electrochemical performance owing to major controversies in synthesis, crystal structure and bulk and interfacial properties of LiMn 1.5 Ni 0.5 O 4 , notably in contact with electrolytes. This paper is a compelling review providing an assessment on the mainstream R&D dealing with the various crystal structures of LiMn 1.5 Ni 0.5 O 4 and their evolutions observed during synthesis and cycling in correlation with their electrochemical performance. Influence of electrolytes and additives along with modifications through doping and surface treatments are interrelated, and the electronic and ionic transport properties of the ordered and disordered LiMn 1.5 Ni 0.5 O 4 phases are discussed. Overall, this review provides a detailed assessment on LiMn1.5Ni0.5O4 and the underlying mechanisms governing its electrochemical performance broadly providing a focused framework for further advancement towards commercialization.
25 ENERGY STORAGE↗
Blind identification of full-field vibration modes of output-only structures from uniformly-sampled, possibly temporally-aliased (sub-Nyquist), video measurements
Enhancing the spatial and temporal resolution of vibration measurements and modal analysis could significantly benefit dynamic modelling, analysis, and health monitoring of structures. For example, spatially high-density mode shapes are critical for accurate vibration-based damage localization. In experimental or operational modal analysis, higher (frequency) modes, which may be outside the frequency range of the measurement, contain local structural features that can improve damage localization as well as the construction and updating of the modal-based dynamic model of the structure. In general, the resolution of vibration measurements can be increased by enhanced hardware. Traditional vibration measurement sensors such as accelerometers have high-frequency sampling capacity; however, they are discrete point-wise sensors only providing sparse, low spatial sensing resolution measurements, while dense deployment to achieve high spatial resolution is expensive and results in the mass-loading effect and modification of structure's surface. Non-contact measurement methods such as scanning laser vibrometers provide high spatial and temporal resolution sensing capacity; however, they make measurements sequentially that requires considerable acquisition time. As an alternative non-contact method, digital video cameras are relatively low-cost, agile, and provide high spatial resolution, simultaneous, measurements. Combined with vision based algorithms (e.g., image correlation or template matching, optical flow, etc.), video camera based measurements have been successfully used for experimental and operational vibration measurement and subsequent modal analysis. However, the sampling frequency of most affordable digital cameras is limited to 30–60 Hz, while high-speed cameras for higher frequency vibration measurements are extremely costly. This work develops a computational algorithm capable of performing vibration measurement at a uniform sampling frequency lower than what is required by the Shannon-Nyquist sampling theorem for output-only modal analysis. In particular, the spatio-temporal uncoupling property of the modal expansion of structural vibration responses enables a direct modal decoupling of the temporally-aliased vibration measurements by existing output-only modal analysis methods, yielding (full-field) mode shapes estimation directly. Then the signal aliasing properties in modal analysis is exploited to estimate the modal frequencies and damping ratios. Furthermore, the proposed method is validated by laboratory experiments where output-only modal identification is conducted on temporally-aliased acceleration responses and particularly the temporally-aliased video measurements of bench-scale structures, including a three-story building structure and a cantilever beam.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Physical properties of intergrowth compound Eu 2 CuZn 2 P 3
Here, the physical properties of single-crystalline Eu 2 CuZn 2 P 3 were inspected via thermodynamic, transport, and neutron diffraction measurements. Eu 2 CuZn 2 P 3 is composed of EuCuP and EuZn 2 P 2 motifs stacked in a one-to-one ratio. The magnetic response of Eu 2 CuZn 2 P 3 is similar to that of EuZn 2 P 2 in its A-type antiferromagnetic (semiconducting) state. A Néel temperature of T N = 40.3K is obtained from the specific heat capacity. Single-crystal neutron diffraction reveals a (001) magnetic propagation vector, with primarily in-plane moments coupled along [001] in an up-up-down-down pattern. This spin structure retains the ferromagnetic EuCuP motifs and antiferromagnetic coupling across the EuZn 2 P 2 motifs. The electrical resistivity is characterized by metallic behavior above 100 K, an increase in ρ upon cooling below ≈ 75K, and a large negative magnetoresistance below T N . First principles calculations evidence a narrow band gap for antiferromagnetic ordering and semimetallic behavior for the ferromagnetic state. This is consistent with the observed effect of magnetic field on the electrical resistivity. Hall effect measurements reveal a field-induced, negative anomalous Hall effect that increases on cooling down to 2 K. Also, an unconventional contribution to the Hall effect dominates the low-field Hall signal, particularly near T N , and is similar in appearance to a topological Hall effect. However, further work is necessary to understand if any of the transport properties have topological origins or if magnetism-induced modifications to the Fermi surface induce these unusual Hall effect signals in this and related materials.
36 MATERIALS SCIENCE↗
Laser-damage performance of gallium-alloy liquid metal mirrors
We explore the characteristics and laser-damage behavior of gallium-based liquid metal alloy mirrors under exposure to ns laser pulses. One of the key advantages of using liquid metal mirrors is the self-healing potential following perturbations arising from exposure to high-power laser pulses. In this work, key performance metrics, such as reflectivity and the laser-damage initiation mechanism and initiation threshold, were investigated using fused-silica cells filled with three different liquid metal Ga alloys. The results suggest that irreversible modification (damage) under 355-nm, 6-ns pulses are associated with the formation of gallium oxide, taking place at a fluence significantly higher than that for damage initiation in conventional metal mirrors. This behavior is believed to arise from the different damage initiation mechanism in liquid metal mirrors requiring increased laser absorbed energy for an irreversible modification of the material surface to occur. As a result, this exploratory work is the first of its kind and highlights some favorable performance characteristics of gallium-alloy metal mirrors.
47 OTHER INSTRUMENTATION↗
A nanofluidic ion regulation membrane with aligned cellulose nanofibers
The advancement of nanofluidic applications will require the identification of materials with high-conductivity nanoscale channels that can be readily obtained at massive scale. Inspired by the transpiration in mesostructured trees, we report a nanofluidic membrane consisting of densely packed cellulose nanofibers directly derived from wood. Numerous nanochannels are produced among an expansive array of one-dimensional cellulose nanofibers. The abundant functional groups of cellulose enable facile tuning of the surface charge density via chemical modification. The nanofiber-nanofiber spacing can also be tuned from ~2 to ~20 nm by structural engineering. The surface-charge-governed ionic transport region shows a high ionic conductivity plateau of ~2 mS cm -1 (up to 10 mM). The nanofluidic membrane also exhibits excellent mechanical flexibility, demonstrating stable performance even when the membrane is folded 150°. Combining the inherent advantages of cellulose, this novel class of membrane offers an environmentally responsible strategy for flexible and printable nanofluidic applications.
36 MATERIALS SCIENCE↗
Systematic modification of functionality in disordered elastic networks through free energy surface tailoring
A combined machine learning–physics–based approach is explored for molecular and materials engineering. Specifically, collective variables, akin to those used in enhanced sampled simulations, are constructed using a machine learning model trained on data gathered from a single system. Through the constructed collective variables, it becomes possible to identify critical molecular interactions in the considered system, the modulation of which enables a systematic tailoring of the system’s free energy landscape. To explore the efficacy of the proposed approach, we use it to engineer allosteric regulation and uniaxial strain fluctuations in a complex disordered elastic network. Its successful application in these two cases provides insights regarding how functionality is governed in systems characterized by extensive connectivity and points to its potential for design of complex molecular systems.
42 ENGINEERING↗
Characterization and Optimization of NiO Electrodes for the Performance and Durability of Perovskite Modules (CRADA Final Report)
CubicPV seeks to improve perovskite solar cell durability and performance through modification of the NiO surface.
14 SOLAR ENERGY↗
Surface Ligand Effects on Energetics, Charge Transfer, and Stability at Interfaces Between Metal Halide Perovskites and Organic Semiconductors
Chemistry at organic-inorganic interfaces plays a major role in determining the performance of electronic and optoelectronic devices. Understanding, developing, and using surface chemistry is thus essential for creating improved and novel materials and devices. Organic metal halide perovskites (HPs) are inexpensive semiconductors that can be printed from solution to make efficient photovoltaic cells for harvesting solar energy, light emitting diodes for energy efficient solid-state lighting applications, solid-state lasers, and even spin selective devices with applications to quantum computing. To realize the potential of HPs, their surface chemistry and interfacial properties must be better understood and appropriately adjusted to meet the needs of the targeted application. For example, surface chemistry influences non-radiative recombination, which influences the efficiency of light emission and solar energy conversion, charge-carrier injection and extraction from optoelectronic devices, and material and device stability. This research project centered around determining how the surface chemistry of HP thin films and nanoparticles influences optical properties, charge transfer processes, energetics, and stability. In this project we characterized ligand binding strengths to HPs; determined how surface ligand chemistry influences photoluminescence properties, energetics, and charge transfer processes; determined that surface ligands often penetrate into HPs and uncovered methods of reducing surface ligand penetration through structural modifications; and discovered how interfacial energetics impact charge transfer processes and photovoltaic performance parameters. Overall, this research established important insights into how surface ligands interact with HPs to influence their optical properties, electronic properties, stability, and device level performance.
14 SOLAR ENERGY↗
Plasma Processing of SRF Cavities for the Next Generation of Particle Accelerators
What are the major goals of the project? Goal 1: Optimize interactively processing of the single-cell cavity by combining plasma treatment and vertical cold bath testing. Continue using single cell cavity as the test bed for new applications. Goal 2: Work on upgrading the plasma etching technology for multi-cell SRF cavities. Goal 3: Develop and adapt discharge configurations to critical cavity regions including the electron beam weld (EBW) and iris areas. Goal 4: Develop tailored methods to prepare surface properties for a specific function prior to any additional modification, such as (but not limited to) surface passivation in preparation of other superconducting materials and structures.
43 PARTICLE ACCELERATORS↗
Laser-Induced Phase Transition in a Monolayer of Polymer Particles Levitating in a Low-Pressure Gas-Discharge Plasma
We report on the results of analysis of the mean kinetic energy and the pair correlation function of polymer particles in a plasma–dust structure under the action of laser radiation. We have observed experimentally the crystal–liquid phase transition in the monolayer of particles levitating in the near-electrode layer of a capacitive high-frequency discharge. The coupling parameter of the dust system has been estimated. The results of analysis of the modification of the polymer dust particle surface after holding in the plasma are considered. We propose an explanation of the phase transition taking into account the role of the photophoretic force in the motion of macroparticles. The effect of the photophoretic force is associated with the modification of the dust particle surface in the plasma, as a result of which the particles can effectively absorb laser radiation.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗