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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

3D Temperature-Controlled Interchangeable Pattern for Size-Selective Nanoparticle Capture

Patterned surfaces with distinct regularity and structured arrangements have attracted great interest due to their extensive promising applications. Although colloidal patterning has conventionally been used to create such surfaces, herein, we introduce a novel 3D patterned poly(N-isopropylacrylamide) (PNIPAM) surface, synthesized by using a combination of colloidal templating and surface-initiated photoinduced electron transfer-reversible addition–fragmentation chain transfer (SI-PET-RAFT) polymerization. In order to investigate the temperature-driven 3D morphological variations at a lower critical solution temperature (LCST) of ~32 °C, multifaceted characterization techniques were employed. Atomic force microscopy confirmed the morphological transformations at 20 and 40 °C, while water contact angle measurements, upon heating, revealed distinct trends, offering insights into the correlation between surface wettability and topography adaptations. Moreover, quartz crystal microbalance with dissipation monitoring and electrochemical measurements were employed to detect the topographical adjustments of the unique hollow capsule structure within the LCST. Tests using different sizes of PSNPs shed light on the size-selective capture–release potential of the patterned PNIPAM, accentuating its biomimetic open–close behavior. Notably, our approach negates the necessity for expensive proteins, harnessing temperature adjustments to facilitate the noninvasive and efficient reversible capture and release of nanostructures. Finally, this advancement hopes to pave the way for future innovative cellular analysis platforms.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Polysulfides capture-copper additive for long cycle life lithium sulfur batteries

Copper powder was introduced into the lithium sulfur battery system to capture intermediate polysulfides and Cu x S (x = 1 or 2) species was generated depending on the chain length of polysulfides. This phenomenon was verified by X-ray absorption near edge structure technique. The results indicated that copper can be oxidized to CuS by Li 2 S x (x ≥ 6), and a mixture of Cu 2 S and CuS was obtained when x ranges from 3 to 6. While Cu 2 S is eventually formed in the presence of Li 2 S 3 . After several cycles activation, the polysulfide-shuttle effect and self-discharge phenomenon which hinder the application of lithium sulfur batteries are found nearly eliminated Further experiments demonstrated that in the case of Cu 2 S generation, a high specific sulfur capacity of 1300 mAh g –1 could be delivered, corresponding to 77.6% sulfur utilization, while the Coulombic efficiency approximates around 100%. As a result, self-discharge experiment further demonstrated that polysulfides almost disappear in the electrolyte, which verified the polysulfide-capture capability of copper.

25 ENERGY STORAGE↗
DOE OSTI2023

Solvent-Treated Zirconium-Based Nanoporous UiO-66 Metal–Organic Frameworks for Enhanced CO 2 Capture

Metal–organic framework (MOF)-derived nanoscale porous materials are widely deployed in carbon capture, but the CO 2 capacity is varied by different post-treatments, and its mechanism is still unclear. In this work, we prepared UiO-66 and treated it with methanol solvent and thermal activation approaches, which showed ~3 times enhanced CO 2 capacities from 15.1 to 45.0 mg/g and excellent recyclability of 10 cycles. The methanol treatment efficiently removes the residual guest molecules, including N,N-dimethylformamide, dangling organic linkers, and their derivatives, in the micropores (~0.8 nm) of UiO-66 and improves the surface area, pore volume, and void fraction to enhance the CO 2 capacity close to the ideal UiO-66 materials. The molecular dynamics simulation also proved a good linear relationship between the surface areas, void fraction, and CO 2 capacity. This work provides a deep understanding of the MOF’s activation mechanism and its applications in CO 2 capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A Bifunctional Ionic Liquid for Capture and Electrochemical Conversion of CO 2 to CO over Silver

Electrochemical conversion of CO 2 requires selective catalysts and high solubility of CO 2 in the electrolyte to reduce the energy requirement and increase the current efficiency. In this study, the CO 2 reduction reaction (CO 2 RR) over Ag electrodes in acetonitrile-based electrolytes containing 0.1 M [EMIM][2-CNpyr] (1-ethyl-3-methylimidazolium 2-cyanopyrolide), a reactive ionic liquid (IL), is shown to selectively (>94%) convert CO 2 to CO with a stable current density (6 mA·cm –2 ) for at least 12 h. The linear sweep voltammetry experiments show the onset potential of CO 2 reduction in acetonitrile shifts positively by 240 mV when [EMIM][2-CNpyr] is added. This is attributed to the pre-activation of CO 2 through the carboxylate formation via the carbene intermediate of the [EMIM] + cation and the carbamate formation via binding to the nucleophilic [2-CNpyr] – anion. The analysis of the electrode–electrolyte interface by surface-enhanced Raman spectroscopy (SERS) confirms the catalytic role of the functionalized IL where the accumulation of the IL-CO 2 adduct between –1.7 and –2.3 V vs Ag/Ag + and the simultaneous CO formation are captured. Furthermore, this study reveals the electrode surface species and the role of the functionalized ions in lowering the energy requirement of CO 2 RR for the design of multifunctional electrolytes for the integrated capture and conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Systematic Tuning and Multifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture

Porous covalent polymers are attracting increasing interest in the fields of gas adsorption, gas separation, and catalysis due to their fertile synthetic polymer chemistry, large internal surface areas, and ultrahigh hydrothermal stabilities. While precisely manipulating the porosities of porous organic materials for targeted applications remains challenging, we show how a large degree of diversity can be achieved in covalent organic polymers by incorporating multiple functionalities into a single framework, as is done for crystalline porous materials. In this work, we synthesized 17 novel porous covalent organic polymers (COPs) with finely tuned porosities, a wide range of Brunauer–Emmett–Teller (BET) specific surface areas of 430–3624 m 2 g –1 , and a broad range of pore volumes of 0.24–3.50 cm 3 g –1 , all achieved by tailoring the length and geometry of building blocks. Furthermore, we are the first to successfully incorporate more than three distinct functional groups into one phase for porous organic materials, which has been previously demonstrated in crystalline metal–organic frameworks (MOFs). COPs decorated with multiple functional groups in one phase can lead to enhanced properties that are not simply linear combinations of the pure component properties. For instance, in the dibromobenzene-lined frameworks, the bi- and multifunctionalized COPs exhibit selectivities for carbon dioxide over nitrogen twice as large as any of the singly functionalized COPs. These multifunctionalized frameworks also exhibit a lower parasitic energy cost for carbon capture at typical flue gas conditions than any of the singly functionalized frameworks. Despite the significant improvement, these frameworks do not yet outperform the current state-of-art technology for carbon capture. Nonetheless, the tuning strategy presented here opens up avenues for the design of novel catalysts, the synthesis of functional sensors from these materials, and the improvement in the performance of existing covalent organic polymers by multifunctionalization.

mathematical methods↗
DOE OSTI2016

In Situ Doping Strategy for the Preparation of Conjugated Triazine Frameworks Displaying Efficient CO 2 Capture Performance

An in situ doping strategy has been developed for the generation of a novel family of hexaazatriphenylene-based conjugated triazine frameworks (CTFs) for efficient CO 2 capture. The resulting task-specific materials exhibit an exceptionally high CO 2 uptake capacity (up to 4.8 mmol g –1 at 297 K and 1 bar). The synergistic effects of ultrananoporosity and rich N/O codoped CO 2 -philic sites bestow the framework with the highest CO 2 adsorption capacity among known porous organic polymers (POPs). This innovative approach not only enables superior CO 2 separation performance but also provides tunable control of surface features on POPs, thereby affording control over bulk material properties. In conclusion, we anticipate this novel strategy will facilitate new possibilities for the rational design and synthesis of nanoporous materials for carbon capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A series of cation-modified robust zirconium-based metal–organic frameworks for carbon dioxide capture

Metal–organic frameworks (MOFs) represent one of the most promising porous solids for possible use as sorbents to control and reduce the greenhouse gas emission. Studies have shown that open metal sites (OMS) interact strongly with carbon dioxide and thus, serve as efficient binding sites for CO 2 capture. However, many OMS-bearing MOFs are lack of framework stability and often have high regeneration temperature. To seek ways to solve the stability issue, we designed a series of isoreticular MOFs, Zr-tcpb-COOM (M = alkali/alkaline earth metal), by exchange of protons with metal ions on Zr-tcpb-COOH via post-synthetic modification (PSM). The pristine MOF (Zr-tcpb-COOH) has a very robust framework. The PSM process does not deteriorate the framework stability but creates metal binding sites that form strong bonds with carbon dioxide. The results show that at low CO 2 pressure, the uptake amount is enhanced considerably using Zr-tcpb-COOM and is in trend of increasing atomic number (Li + < Na + < K + < Ca 2+ ). High adsorption selectivity (CO 2 /N 2 IAST selectivity (15 : 85) = 539.5) is also achieved for CO 2 over N 2 at room temperature. This approach offers a feasible method to improve CO 2 capture capacity, especially at low concentrations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Identifying mechanistic differences between co-fed CO 2 hydrogenation and reactive CO 2 capture using Ru and Pd dual function materials

Dual function materials (DFMs) enable reactive carbon capture (RCkeC), an intensified approach to carbon dioxide capture and utilization for cost and energy input reductions. Yet, there is a fundamental lack of understanding of mechanisms around CO 2 adsorption and subsequent conversion on these materials, hindering further development. Herein, we investigated several supported alkaline metal oxides for their CO 2 adsorption characteristics to find that Na/Al 2 O 3 had the highest CO 2 adsorption capacity, accompanied by a variety of CO 2 adsorption geometries as identified by in situ DRIFTS and computational modeling. The addition of catalytic metals (Ru, Pd) increased the adsorption capacity of Na/Al 2 O 3 without altering binding modes. In the subsequent reactive desorption step, acetate and formate intermediates were observed. Notably, this mechanistic investigation identified that the formation of acetate species was unique to RCC on a DFM, as these species were not observed in co-fed hydrogenation over the DFM or RCC over a Na-free catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Neutron capture measurement on {sup 173}Lu at LANSCE with DANCE detector

The (n,{gamma}) cross section on the unstable {sup 173}Lu(t{sub 1/2} = 1.37y) has been measured from thermal energy up to 200 eV at Los Alamos Neutron Science Center (LANSCE) with The Detector for Advanced Neutron Capture Experiements (DANCE). The main aim of this study is to validate and optimize reaction models for unstable nucleus. A preliminary capture yield will be presented in this paper.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Electron transfer and capture dynamics in ZnSe quantum wells grown on GaAs

We investigate the transfer and capture dynamics of electrons in phase coherent photorefractive ZnSe quantum wells grown on GaAs using degenerate three-beam four-wave-mixing. The measurements reveal electron capture times by the quantum well in the order of several tens of picoseconds and a transit time of approximately 5 picoseconds from the GaAs substrate through the ZnMgSe barrier.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Nonradiative coherent carrier captures and defect reaction at deep-level defects via phonon-kick mechanism

We simulated the time evolution of electron-lattice coupling mode, and a series of nonradiative carrier captures by a deep-level defect in a semiconductor. For lattice relaxation energy of the order of the band gap, a series of coherent (athermal) electron and hole captures by a defect is possible for high carrier densities, which results in an inflation in the induced lattice vibration, which in turn enhances a defect reaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Impact of the uncertainty in α-captures on {sup 22}Ne on the weak s-process in massive stars

Massive stars at solar metallicity contribute to the production of heavy elements with atomic masses between A = 60 and A = 90 via the so-called weak s-process (which takes place during core He and shell C burning phases). Furthermore, recent studies have shown that rotation boosts the s-process production in massive stars at low metallicities, with a production that may reach the barium neutron-magic peak. These results are very sensitive to neutron source and neutron poison reaction rates. For the weak s-process, the main neutron source is the reaction {sup 22}Ne(α,n){sup 25}Mg, which is in competition with {sup 22}Ne(α,γ){sup 26}Mg. The uncertainty of both rates strongly affects the nucleosynthesis predictions from stellar model calculations. In this study, we investigate the impact of the uncertainty in α-captures on {sup 22}Ne on the s-process nucleosynthesis in massive stars both at solar and at very low metallicity. For this purpose, we post-process, with the Nugrid mppnp code, non-rotating and rotating evolutionary models 25M{sub ⊙} stars at two different metallicities: Z = Z{sub ⊙} and Z = 10{sup −5}Z{sub ⊙}, respectively. Our results show that uncertainty of {sup 22}Ne(α,n){sup 25}Mg and {sup 22}Ne(α,γ){sup 26}Mg rates have a significant impact on the final elemental production especially for metal poor rotating models. Beside uncertainties in the neutron source reactions, for fast rotating massive stars at low metallicity we revisit the impact of the neutron poisoning effect by the reaction chain {sup 16}O(n,γ){sup 17}O(α,γ){sup 21}Ne, in competition with the {sup 17}O(α,n){sup 20}Ne, recycling the neutrons captured by {sup 16}O.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Systematic muon capture rates in PQRPA

In this work we performed a systematic study of the inclusive muon capture rates for several nuclei with A < 60 using the Projected Random Quasi-particle Phase Approximation (PQRPA) as nuclear model, because it is the only RPA model that treats the Pauli Principle correctly. We reckon that the comparison between theory and data for the inclusive muon capture is not a fully satisfactory test on the nuclear model that is used. The exclusive muon transitions are more robust for such a purpose.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Note: Consecutive capture of images of ions and electrons using high-voltage vacuum relay

For the first time, images of both ions and electrons appearing on a fluorescent screen attached to a micro-channel plate (MCP) [S. Nakata et al., “Applicability of micro-channel plate followed by phosphor screen to charged particles,” Rev. Sci. Instrum. (submitted)] were captured in one attempt. The profile of electrostatic potential applied externally to the MCP with the fluorescent screen was quickly changed using a high-voltage vacuum relay. This method allows consecutive images of ions and electrons to be successfully captured.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Carrier capture and emission by substitutional carbon impurities in GaN vertical diodes

A model was developed for the operation of a GaN pn junction vertical diode which includes rate equations for carrier capture and thermally activated emission by substitutional carbon impurities and carrier generation by ionizing radiation. The model was used to simulate the effect of ionizing radiation on the charge state of carbon. These simulations predict that with no applied bias, carbon is negatively charged in the n-doped layer, thereby compensating n-doping as experimentally observed in diodes grown by metal-organic chemical vapor deposition. With reverse bias, carbon remains negative in the depletion region, i.e., compensation persists in the absence of ionization but is neutralized by exposure to ionizing radiation. This increases charge density in the depletion region, decreases the depletion width, and increases the capacitance. The predicted increase in capacitance was experimentally observed using a pulsed 70 keV electron beam as the source of ionization. In additional confirming experiments, the carbon charge-state conversion was accomplished by photoionization using sub-bandgap light or by the capture of holes under forward bias.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Directed evolution of an ultrastable carbonic anhydrase for highly efficient carbon capture from flue gas

Carbonic anhydrase (CA) is one of nature’s fastest enzymes and can dramatically improve the economics of carbon capture under demanding environments such as coal-fired power plants. The use of CA to accelerate carbon capture is limited by the enzyme’s sensitivity to the harsh process conditions. Using directed evolution, the properties of a β-class CA from Desulfovibrio vulgaris were dramatically enhanced. Iterative rounds of library design, library generation, and high-throughput screening identified highly stable CA variants that tolerate temperatures of up to 107 °C in the presence of 4.2 M alkaline amine solvent at pH >10.0. This increase in thermostability and alkali tolerance translates to a 4,000,000-fold improvement over the natural enzyme. In conclusion, at pilot scale, the evolved catalyst enhanced the rate of CO2 absorption 25-fold compared with the noncatalyzed reaction.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

3D printed structures for optimized carbon capture technology in packed bed columns

The use of 3D printed structured packing for the optimization of aqueous-amine based carbon capture in packed absorption columns is examined in this paper. An experimental testing system has been set up, and initial comparisons were made between metal, plastic, and 3D printed 16-inch packing elements and between three 8-inch 3D printed elements of different densities. Pressure drop measurements were obtained at various air flowrates under dry conditions. Measurements were also taken for a wet system by adding water at six different liquid flowrates. In each case, theoretical calculations for pressure drop were performed based on a model presented in the literature. It was found that, for the 16-inch dry column, the model slightly overpredicts the pressure drop. The model provides an accurate prediction for the dry 8-inch experimental data, especially for the two least dense packing elements. For the wet system, the model overpredicts the pressure drop, likely due to modeling deficiencies when the column reaches its loading limit. Furthermore, these results provide sufficient confidence to move forward with testing and process intensification of the CO 2 capture process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗