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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Hydrothermal Synthesis of Platinum-Group-Metal-Free Catalysts: Structural Elucidation and Oxygen Reduction Catalysis

In this paper, a hydrothermal approach to generate a platinum-group-metal-free (PGM-free) Fe-N-C catalyst for the oxygen reduction reaction (ORR) is introduced. The process involves partial carbonization by hydrothermal means followed by thermal treatment to obtain the final catalysts. Detailed X-ray scattering analysis of the glucose-imidazole catalysts (termed as GLU-IMID-C catalysts), obtained for the first time with the use of CarbonXS GUI program, reveals the presence of face-centered cubic (FCC) iron nanoparticles embedded in partially graphitic carbon in all catalyst variations. We also report the physical characterization of these catalysts by using X-ray photoelectron spectroscopy, Brunauer-Emmett-Teller surface area analysis, and transmission electron microscopy. The electrocatalytic behavior of the catalysts towards oxygen reduction is studied separately in acidic and alkaline electrolytes by rotating ring disk electrode measurements. The catalysts exhibit high ORR activity in acidic (0.5 M H 2 SO 4 ) and alkaline (0.1 M KOH) electrolytes. Lastly, a precursor structure-performance relationship of these catalysts and their performance trends in both electrolytes has been discussed in this work.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the Mechanism of Soot Nucleation. III. The Fate and Facility of the E-Bridge

Rotationally-excited dimerization of aromatic moieties is a mechanism proposed recently to explain the initial steps of soot particle inception in combustion and pyrolysis of hydrocarbons. The product of such dimerization, termed E-bridge, is an angled molecular structure composed of two aromatic rings sharing a common bond. The present study explores the immediate fate of the E-bridge. The performed theoretical analysis indicates that abstraction of a bridge H atom by a gaseous H leads to a rapid transformation of the angled to planar structure. The implications of this result is that the collisionally-activated E-bridge formation followed by its flattening effectively increases the size of “planar” aromatic precursors by combining two aromatic moieties with essentially collisional rates, instead of a slower “atom-by-atom” buildup. The faster growth speeds up PAH reaching a size when physical dimerization takes over. Furthermore, the dimerization can be further assisted by the biradicaloid valence structure of the flattened E-bridge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Effects of Surface Roughness on the Electrochemical Reduction of CO 2 over Cu

We have investigated the role of surface roughening on the CO 2 reduction reaction (CO 2 RR) over Cu. The activity and product selectivity of Cu surfaces roughened by plasma pretreatment in Ar, O 2 , or N 2 were compared with that of electrochemically polished Cu samples. Differences in total and product current densities, the ratio of current densities for HER (the hydrogen evolution reaction) to CO 2 RR, and the ratio of current densities for C 2+ to C 1 products depend on the electrochemically active surface and are nearly independent of plasma composition. Theoretical analysis of an electropolished and roughened Cu surface reveals a higher fraction of undercoordinated Cu sites on the roughened surface, sites that bind CO preferentially. Roughened surfaces also contain square sites similar to those on a Cu(100) surface but with neighboring step sites, which adsorb OC-COH, a precursor to C 2+ products. Here, these findings explain the increases in the formation of oxygenates and hydrocarbons relative to CO and the ratio of oxygenates to hydrocarbons observed with increasing surface roughness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

In situ synchrotron pair distribution function analysis to monitor synthetic pathways under electromagnetic excitation

Electromagnetic (EM) fields, specifically microwave radiation (MWR), can significantly influence the synthesis of ceramic oxide materials and promote rapid, low-temperature growth. However, the mechanisms by which EM fields affect the phase formation process are not well understood. A major limitation to increasing this understanding has been the lack of information regarding dynamic changes in local atomic structure during MWR exposure compared to conventional hydrothermal synthesis routes. Here, we utilize in situ synchrotron X-ray pair distribution function (PDF) analysis to monitor MWR-assisted SnO 2 nanoparticle synthesis. A clear impact of the EM field is demonstrated, with MWR inducing changes in nearest neighbor distances and peaks in oxygen atomic displacement that do not occur during synthesis without MWR exposure. The observed local structural disorder serves as a precursor to rapid rutile SnO 2 nanoparticle crystallization, suggesting that EM field-assisted growth is mediated by changes to the oxygen sublattice. These findings further our understanding of the mechanisms underlying MWR-assisted synthesis and represent a step towards utilizing EM fields to engineer tailored atomic structures for a broad range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Production of galactitol from galactose by the oleaginous yeast Rhodosporidium toruloides IFO0880

Abstract Background Sugar alcohols are commonly used as low-calorie sweeteners and can serve as potential building blocks for bio-based chemicals. Previous work has shown that the oleaginous yeast Rhodosporidium toruloides IFO0880 can natively produce arabitol from xylose at relatively high titers, suggesting that it may be a useful host for sugar alcohol production. In this work, we explored whether R. toruloides can produce additional sugar alcohols. Results Rhodosporidium toruloides is able to produce galactitol from galactose. During growth in nitrogen-rich medium, R. toruloides produced 3.2 ± 0.6 g/L, and 8.4 ± 0.8 g/L galactitol from 20 to 40 g/L galactose, respectively. In addition, R. toruloides was able to produce galactitol from galactose at reduced titers during growth in nitrogen-poor medium, which also induces lipid production. These results suggest that R. toruloides can potentially be used for the co-production of lipids and galactitol from galactose. We further characterized the mechanism for galactitol production, including identifying and biochemically characterizing the critical aldose reductase. Intracellular metabolite analysis was also performed to further understand galactose metabolism. Conclusions Rhodosporidium toruloides has traditionally been used for the production of lipids and lipid-based chemicals. Our work demonstrates that R. toruloides can also produce galactitol, which can be used to produce polymers with applications in medicine and as a precursor for anti-cancer drugs. Collectively, our results further establish that R. toruloides can produce multiple value-added chemicals from a wide range of sugars.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Systematic assessment of wellbore integrity for geologic carbon storage projects using regulatory and industry information

Under this three year project, the condition of legacy oil and gas wells in the Midwest United States was evaluated through analysis of well records, well plugging information, CBL evaluation, sustained casing pressure (SCP) field testing, and analysis of hypothetical CO 2 test areas to provide a realistic description of wellbore integrity factors. The research included a state-wide review of oil and gas well records for Ohio and Michigan, along with more detailed testing of wells in Ohio. Results concluded that oil and gas wells are clustered along fields in areas. Well records vary in quality, and there may be wells that have not been identified in records, but there are options for surveying unknown wells. Many of the deep saline formations being considered for CO 2 storage have few wells that penetrate the storage zone or confining layers. Research suggests that a variety of well construction and plugging approaches have been used over time in the region. The project concluded that wellbore integrity is an important issue for CO 2 storage applications in the Midwest United States. Realistic CO 2 storage projects may cover an area in the subsurface with several hundred legacy oil and gas wells. However, closer inspection may often establish that most of the wells do not penetrate the confining layers or storage zone. Therefore, addressing well integrity may be manageable. Field monitoring of SCP also indicated that tested wells provided zonal isolation of the reservoirs they were designed to isolate. Most of these wells appeared to exhibit gas pressure originating from intermediate zones. Based on these results, more flexibility in terms of cementing wells to surface, allowing well testing, and monitoring wells may aid operators in completing CO 2 storage project. Several useful products were developed under this project for examining wellbore integrity for CO 2 storage applications including, a database of over 4 million items on well integrity parameters in the study areas, a systematic CBL evaluation tool for rating cement in boreholes, SCP field testing procedures and analysis methodology, a process for summarizing well integrity at CO 2 storage fields, a statistical analysis of well integrity indicators, and an assessment of practical methods and costs necessary to repair/remediate typical wells in the region based on assessment of six test study areas. Project results may benefit both CO 2 storage and improved oil recovery applications. This study of wellbore integrity is a useful precursor to support development of geologic storage in the Midwest United States because it sheds more light on the actual well conditions (rather than the perceived condition) of historic oil and gas wells in the region.

42 ENGINEERING↗
DOE OSTI2016

An analysis of the growth of silver catalyzed In{sub x}Ga{sub 1−x}As nanowires on Si (100) by metal organic chemical vapor deposition

A model is proposed here to understand the nucleation of III–V semiconductor nanowires (NW). Whereas the classical nucleation theory is not adequately sufficient in explaining the evolution of the shape of the NWs under different chemical environment such as flow rate or partial pressure of the precursors, the effect of adsorption and desorption mediated growth, and diffusion limited growth are taken into account to explain the morphology and the crystal structure of In{sub x}Ga{sub 1−x}As nanowires (NW) on Silicon (100) substrates grown by a metalorganic chemical vapor deposition technique. It is found that the monolayer nucleus that originates at the triple phase line covers the entire nucleus-substrate (NS) region at a specific level of supersaturation and there are cases when the monolayer covers a certain fraction of the NS interface. When the monolayer covers the total NS interface, NWs grow with perfect cylindrical morphology and whenever a fraction of the interface is covered by the nucleus, the NWs become curved as observed from high resolution transmission electron microscopy images. The supersaturation, i.e., the chemical potential is found to be governed by the concentration of precursors into the molten silver which in the present case is taken as a catalyst. Our study provides new insights into the growth of ternary NWs which will be helpful in understanding the behavior of growth of different semiconducting NWs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Synthesis of one-dimensional porous Co{sub 3}O{sub 4} nanobelts and their ethanol gas sensing properties

Graphical abstract: 1D porous porous Co{sub 3}O{sub 4} nanobelts were synthesized via a facile route without use of any surfactants or organic solvent, exhibiting ethanol gas sensing properties superior to the commercial Co{sub 3}O{sub 4} powders. - Highlights: • One-dimensional porous Co{sub 3}O{sub 4} nanobelts were synthesized. • The belt-like morphology can be finely controlled via adjusting the reaction parameters. • The evolution process of porous Co{sub 3}O{sub 4} nanobelts was investigated. • Porous Co{sub 3}O{sub 4} nanobelts exhibit superior ethanol gas sensing properties. - Abstract: In this paper, one-dimensional porous Co{sub 3}O{sub 4} nanobelts were synthesized via a facile template-free hydrothermal method and subsequent the thermal decomposition. Their microstructures and morphologies were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, thermogravimetric analysis, fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and N{sub 2} adsorption–desorption techniques. The results indicate that the reaction parameters such as the molar ratio of Co(NO{sub 3}){sub 2}·6H{sub 2}O to C{sub 2}H{sub 4}N{sub 4}, the amount of Co(NO{sub 3}){sub 2}·6H{sub 2}O, the hydrothermal temperature and time play crucial rules in controlling the microstructures and morphologies of the as-prepared cobalt precursors. A possible formation mechanism was proposed. Moreover, the obtained porous Co{sub 3}O{sub 4} nanobelts exhibit ethanol gas sensing properties superior to the commercial Co{sub 3}O{sub 4} powders at a working temperature of 200 °C, suggesting their potential applications as nanosensors.

36 MATERIALS SCIENCE↗
DOE OSTI2011

The E2 Domains of APP and APLP1 Share a Conserved Mode of Dimerization

Amyloid precursor protein (APP) is genetically linked to Alzheimer's disease. APP is a type I membrane protein, and its oligomeric structure is potentially important because this property may play a role in its function or affect the processing of the precursor by the secretases to generate amyloid {beta}-peptide. Several independent studies have shown that APP can form dimers in the cell, but how it dimerizes remains controversial. At least three regions of the precursor, including a centrally located and conserved domain called E2, have been proposed to contribute to dimerization. Here we report two new crystal structures of E2, one from APP and the other from APLP1, a mammalian APP homologue. Comparison with an earlier APP structure, which was determined in a different space group, shows that the E2 domains share a conserved and antiparallel mode of dimerization. Biophysical measurements in solution show that heparin binding induces E2 dimerization. The 2.1 {angstrom} resolution electron density map also reveals phosphate ions that are bound to the protein surface. Mutational analysis shows that protein residues interacting with the phosphate ions are also involved in heparin binding. The locations of two of these residues, Arg-369 and His-433, at the dimeric interface suggest a mechanism for heparin-induced protein dimerization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Toward Stable Cycling of a Cost-Effective Cation-Disordered Rocksalt Cathode via Fluorination

The recently developed Li-excess cation-disordered rock salts (DRXs) exhibit an excellent chemical diversity for the development of alternative Co/Ni-free high-energy cathodes. Herein, the synthesis of a highly fluorinated DRX cathode, Li 1.2 Mn 0.6 Ti 0.2 O 1.8 F 0.2 , based on cost-effective and earth-abundant transition metals, via a solid-state reaction, is reported. The fluorinated DRX cathode using ammonium fluoride precursor exhibits more uniform particle size and delivers a specific discharge capacity of 233 mAh g -1 and specific energy of 754 Wh kg -1 , with 206 mAh g -1 retained after 200 cycles. Further, the combined synchrotron X-ray absorption spectroscopy and resonant inelastic X-ray scattering spectroscopy analysis reveals that the remarkable cycling performance is attributed to the high fluorination and thus enhanced Mn content, enabling the utilization of more Mn redox than the oxide analog. This study demonstrates a great promise to develop next-generation cost-effective DRX cathodes with enhanced capacity retention for high-energy Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2015

An in situ neutron diffraction study of anomalous superelasticity in a strain glass Ni 43 Fe 18 Ga 27 Co 12 alloy

Superelastic behavior is traditionally related to the martensitic transition with a collective transformation scenario in some shape memory alloys. A kind of quasi-linear superelasticity accompanied by a finite avalanche or confined martensitic transformation was recently found in some alloy systems with strain glass state. Here, an in situ neutron diffraction technique was used to study the deformation behavior in an Ni 43 Fe 18 Ga 27 Co 12 alloy with strain glass state in order to reveal the new intrinsic physical nature of the quasi-linear superelasticity. A significant modulus softening prior to the stress-induced martensitic transformation was observed during compression in the studied alloy, which is similar to the characteristics exhibited in the tweed precursor phenomena prior to temperature-induced martensitic transformation. Moreover, the diffraction peak broadening was further shown during the elastic stage of deformation for both single-crystal and polycrystalline samples, which mainly stems from the short-range fluctuation in the strain field inside each grain based on Williamson–Hall analysis. The authors believe that there exists a spatial heterogeneity in the modulus of the confined martensitic transformation alloy.

Zhang, Q. H.↗
DOE OSTI2014

Crystallization and preliminary X-ray crystallographic analysis of polyphenol oxidase from Juglans regia (jrPPO1)

The crystallization and preliminary X-ray crystallographic analysis of a plant PPO exhibiting monophenolase activity from J. regia (jrPPO1) in its active form (Asp{sup 101}–Arg{sup 445}) are reported. Tyrosinase is a type 3 copper enzyme that catalyzes the ortho-hydroxylation of monophenols to diphenols as well as their subsequent oxidation to quinones, which are precursors for the biosynthesis of melanins. The first plant tyrosinase from walnut leaves (Juglans regia) was purified to homogeneity and crystallized. During the purification, two forms of the enzyme differing only in their C-termini [jrPPO1(Asp{sup 101}–Pro{sup 444}) and jrPPO1(Asp{sup 101}–Arg{sup 445})] were obtained. The most abundant form jrPPO1(Asp{sup 101}–Arg{sup 445}), as described in Zekiri et al. [Phytochemistry (2014 ▶), 101, 5–15], was crystallized, resulting in crystals that belonged to space group C121, with unit-cell parameters a = 115.56, b = 91.90, c = 86.87 Å, α = 90, β = 130.186, γ = 90°, and diffracted to 2.39 Å resolution. Crystals were only obtained from solutions containing at least 30% polyethylene glycol 5000 monomethyl ether in a close-to-neutral pH range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

High surface area neodymium phosphate nano particles by modified aqueous sol-gel method

Graphical abstract: Synthesis of nano rod shaped neodymium phosphate particles with specific surface area as high as 107 m{sup 2} g{sup -1} and particles could be compacted and sintered at as low as 1300 Degree-Sign C to a density of 98.5% (theoretical) with an average grain size of {approx}1 {mu}m. Highlights: Black-Right-Pointing-Pointer Nano size neodymium phosphate is synthesized and characterized using a novel modified aqueous sol gel process. Black-Right-Pointing-Pointer Specific surface area above 100 m{sup 2} g{sup -1} achieved without the addition of any complexing agents. Black-Right-Pointing-Pointer High sintered density reported than the density obtained for powder synthesized through conventional solid state reaction. Black-Right-Pointing-Pointer The particles are nano sized and have rod shape morphology and are retained at higher temperatures. Black-Right-Pointing-Pointer An average grain size of {approx}1 {mu}m obtained for sintered NdPO{sub 4} after thermal etching at 1400 Degree-Sign C. -- Abstract: Synthesis of nano rod shaped neodymium phosphate (NdPO{sub 4}) particles with specific surface area as high as 107 m{sup 2}g{sup -1} and an average length of 50 nm with aspect ratio 5 was achieved using modified sol gel method. Crystallite size calculated from the X-ray diffraction data by applying Scherer equation was 5 nm for the precursor gel after calcination at 400 Degree-Sign C. NdPO{sub 4} was first precipitated from neodymium nitrate solution using phosphoric acid followed by peptization using dilute nitric acid and further gelation in ammonia atmosphere. The calcined gel powders were further characterized by surface area (Brunauer-Emmet-Teller nitrogen adsorption analysis), Transmission electron microscopy, scanning electron microscopy, UV-vis and FT-IR analysis. Transmission electron microscopy confirms the formation of rod like morphology from the sol, gel and the calcined particles in nano size range. These particles could be compacted and sintered at as low as 1300 Degree-Sign C to a density of 98.5% (theoretical) with an average grain size of {approx}1 {mu}m.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Going Off Grid: A Comparative Study of the Lagrangian and Eulerian Perspectives of New Particle Formation Events

New particle formation and growth (NPF&G) is the process by which ultrafine particles are formed from gas-phase precursors. NPF&G is the dominant source of global aerosol number with important influences on climate. Most observations of NPF&G events are conducted at stationary sites; however, NPF&G observed from stationary sites is influenced by gradual or rapid changes in the air masses passing over the site, complicating NPF&G analysis. In this work, we use observations and a 3D aerosol model to compare aerosol size distributions at a stationary site (Southern Great Plains [SGP] observatory, Oklahoma, USA) and along Lagrangian trajectories crossing the site. The model simulates the NPF&G events reasonably well at SGP. Using the model to compare the Lagrangian and stationary perspectives, we can explain previously unanalyzable days with some evidence of NPF&G as either non-event or analyzable NPF&G days. We find most of the unanalyzable NPF&G days are due to isolated and inhomogeneous NPF&G occurring upwind of the stationary site, often in the outflow of urban regions. Finally, we compare formation rates of 3 nm particles, growth rates, and the survival probability of 3 nm particles growing to 25 nm between the stationary and Lagrangian perspectives. Because of the much larger number of analyzable days along the Lagrangian trajectories, this perspective potentially provides more robust statistics and better characterization of NPF&G event extremes. Our method for extracting chemical/physical properties along Lagrangian trajectories from 3D models can be applied to a wide range of science questions.

O’Donnell, Samuel E. [Colorado State Univ., Fort C↗
DOE OSTI2015

Microwave assisted combustion synthesis of nanocrystalline CoFe{sub 2}O{sub 4} for LPG sensing

A microwave-assisted citrate precursor method has been utilized for synthesis of nanocrystalline powders of CoFe{sub 2}O{sub 4}. The process takes only a few minutes to obtain as-synthesized CoFe{sub 2}O{sub 4}. Structural properties of the synthesized material were investigated by X-ray diffraction; scanning electron microscopy, Thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy. The gas sensing properties of thick film of CoFe{sub 2}O{sub 4} prepared by screen printing towards Liquid Petroleum Gas (LPG) revealed that CoFe{sub 2}O{sub 4} thick films are sensitive and shows maximum sensitivity at 350°C for 2500 ppm of LPG.

36 MATERIALS SCIENCE↗
DOE OSTI2017

TSSK6 is required for γH2AX formation and the histone-to-protamine transition during spermiogenesis

ABSTRACT Spermiogenesis includes transcriptional silencing, chromatin condensation and extensive morphological changes as spermatids transform into sperm. Chromatin condensation involves histone hyperacetylation, transitory DNA breaks, histone H2AX (also known as H2AFX) phosphorylation at Ser139 (γH2AX), and replacement of histones by protamines. Previously, we have reported that the spermatid protein kinase TSSK6 is essential for fertility in mice, but its specific role in spermiogenesis is unknown. Here, we show that TSSK6 expression is spatiotemporally coincident with γH2AX formation in the nuclei of developing mouse spermatids. RNA-sequencing analysis demonstrates that genetic ablation of Tssk6 does not impact gene expression or silencing in spermatids. However, loss of TSSK6 blocks γH2AX formation, even though the timing and level of the transient DNA breaks is unaltered. Further, Tssk6-knockout sperm contained increased levels of histones H3 and H4, and protamine 2 precursor and intermediate(s) indicative of a defective histone-to-protamine transition. These results demonstrate that TSSK6 is required for γH2AX formation during spermiogenesis, and also link γH2AX to the histone-to-protamine transition and male fertility.

Jha, Kula N. (ORCID:0000000222181864)↗
DOE OSTI2013

Synthesis of CeFe10.5Mo1.5 with ThMn12-type structure by melt spinning

Rare earth compounds RFe12_xMx with tetragonal ThMn12-type structure are of great research interest for potential applications as permanent magnets. These materials are known to serve as the precursors for nitriding and hydriding processes which in certain conditions can dramatically increase the Curie temperature, spontaneous magnetization, and affect the magnetic anisotropy. In this paper, we report the phase study of CeFe10.5Mo1.5 samples melt spun at various surface wheel speeds vs between 5 m/s and 60 m/s. The results from quantitative Rietveld analysis indicate that the as-spun ribbons are a mixture of primary CeFe10.5Mo1.5 phase with impurity phases such as Ce2Fe17, Fe-Mo alloy and CeFe2. When the wheel speed vs is below 25 m/s, CeFe10.5Mo1.5 phase accounts for greater than 85 wt% in the as-spun ribbons, while the Fe-Mo alloy is the only detectable impurity phase. Above v(s)=25 m/s, as the wheel speed increases, CeFe10.5Mo1.5 phase decreases monotonically to about 60 wt% at v(s)=6O m/s while the amounts of impurity phases increase. Thermogravimetric measurement indicates that the Curie temperature T-c. corresponding to CeFe10.5Mo1.5 phase is 341 K. As a result, the best performing sample melt spun at v(s),=15 m/s only exhibits an energy product BHmax=0.121 MGOe at room temperature. Although such a number is modest for a permanent magnet, further nitriding is expected to greatly enhance the Curie temperature, and hence the magnetic performance. (C) 2013 Elsevier B.V. All rights reserved.

Zhou, C↗
DOE OSTI2020

Pressure-stabilized divalent ozonide CaO 3 and its impact on Earth's oxygen cycles

High pressure can drastically alter chemical bonding and produce exotic compounds that defy conventional wisdom. Especially significant are compounds pertaining to oxygen cycles inside Earth, which hold key to understanding major geological events that impact the environment essential to life on Earth. Here we report the discovery of pressure-stabilized divalent ozonide CaO3 crystal that exhibits intriguing bonding and oxidation states with profound geological implications. Our computational study identifies a crystalline phase of CaO 3 by reaction of CaO and O 2 at high pressure and high temperature conditions; ensuing experiments synthesize this rare compound under compression in a diamond anvil cell with laser heating. High-pressure x-ray diffraction data show that CaO 3 crystal forms at 35 GPa and persists down to 20 GPa on decompression. Analysis of charge states reveals a formal oxidation state of -2 for ozone anions in CaO 3 . These findings unravel the ozonide chemistry at high pressure and offer insights for elucidating prominent seismic anomalies and oxygen cycles in Earth’s interior. We further predict multiple reactions producing CaO 3 by geologically abundant mineral precursors at various depths in Earth’s mantle.

58 GEOSCIENCES↗