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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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A range of advanced imaging techniques are employed to study the micron- and nano-scale morphology of a polymer/non-fullerene acceptor blend. Cryo-electron microscopy in particular reveals nanoscale variations in molecular orientation and order.
New polymer acceptors (PYSiO- X ( X = 0–30%)) containing siloxane-based flexible spacers (SiO-FSs) are developed. The resulting halogen-free solvent processed all-polymer solar cells show high photovoltaic efficiency and mechanical robustness.
K + modification helps in boosting the CO oxidation activity on Pt 1 /CeO 2 through tuning the coordination environment and oxidation states of Pt sites.
The Lagrange-based Grassmann interpolation (G-Int) method has been extended for open-shell systems using restricted open-shell methods in building spin contamination-free potential energy surfaces.
This study analyzes catalytic fast pyrolysis as a conversion technology for mixed plastic waste, highlighting key economic and environmental drivers and potential opportunities for process improvements.
While perovskite-based photovoltaics is progressing toward commercialization, it remains an open question which fabrication technology – solution-based, vapor-based, or combinations – will pave the way to faster economic breakthrough.
This work examines the feasibility of a greenfield mixed plastics waste gasification facility with process modeling, TEA, and LCA.
Formation of highly reducible ionic liquid lead complexes in dilute aqueous solutions opens up new opportunities to employ green ionic liquids to separate heavy toxic metals efficiently.
2D nanoscale confined systems exhibit behavior that is markedly different from that observed at the macroscale. Confinement can be tuned by controlling the interlayer spacing between confining layers using organic dithiol linkers. Adjusting spacing and selective intercalation have important impacts for catalysis, superconductivity, spin engineering, sodium ion batteries, 2D magnets, optoelectronics, and many other applications. In this study, we report how reaction conditions and organic linkers can be used to create variable, reproducible spacings between graphene oxide to provide confinement systems. We determined the conditions under which the spacing can be variably adjusted by the type of linker used, the concentration of the linker, and the reaction conditions. Employing dithiol linkers of different lengths, such as three (TPDT) and four (QPDT) aromatic rings, we can adjust the spacing between graphene oxide layers under varied reaction conditions. Here, we show that by varying dithiol linker length and using different reaction conditions, we can reproducibly control the spacing between graphene oxide layers from 0.37 nm to over 0.50 nm.
Local transport and magnetometry measurements on nanoscale flakes of NiS 2 have led to the discovery of large magnetoresistance and exchange-bias effects connected to surface magnetic textures in NiS 2 .
Dual Lewis acidic centers, CeO x and framework Sn, confined in Beta zeolite, catalyze the acetone C–C coupling followed by deoxygenation to isobutene, achieving a desirable product distribution and stability in the absence of water.
Improve overall economics and sustainability of biofuels production by making the best use of byproducts from biomass pyrolytic processes towards energy utilities by leveraging locational consumers and available infrastructure.
Simultaneous removal of C 2 H 6 and C 2 H 2 from C 2 H 4 streams is of great importance in the petrochemical industry but remains a challenging task. To address this challenge, we have selected three isoreticular MOFs with high stability, low cost, and desirable scale-up ability, namely, MOF-303, MIL-160, and CAU-23 and assessed their potential in simultaneous removal of acetylene and ethane for ethylene purification. Each MOF exhibits desirable C 2 H 2 and C 2 H 6 uptake capacity (>5.5 mmol g –1 and >4 mmol g –1 , respectively), as well as good C 2 H 2 /C 2 H 4 selectivity (>2) and C 2 H 6 /C 2 H 4 selectivity (>1.5). Notably, MOF-303 takes up 4.96 mmol g –1 C 2 H 6 at 298 K and 1 bar, the highest value among the three MOFs, with C 2 H 6 /C 2 H 4 selectivity in the range of 1.55–2.47. MIL-160 possesses a very high C 2 H 2 uptake (9.1 mmol g –1 ) and C 2 H 2 /C 2 H 4 selectivity, 10.6 (1 : 1, v/v), at 298 K, much higher than those of all other MOFs tested to date for simultaneous removal of C 2 H 6 and C 2 H 2 from C 2 H 4 . The results from breakthrough experiments confirm that all three MOFs demonstrate excellent performance for C 2 H 4 purification in a ternary mixture of C 2 H 6 /C 2 H 4 /C 2 H 2 (1 : 1 : 1, v/v/v). Here, for MOF-303, MIL-160, and CAU-23, polymer-grade C 2 H 4 up to 0.164, 0.21, and 0.181 mmol g –1 can be obtained from the equimolar ternary mixture in a single separation step from the breakthrough experiment. Additionally, DFT calculations have been performed to further investigate the mechanism of adsorption/separation for C 2 H 6 , C 2 H 4 , and C 2 H 2 .
Molecular exchange is a common step occurring in many technological processes such as competitive adsorption, chemical separation, capture, delivery, and release. However, the underlying principle is not fully understood, especially in nanoconfined environments where the energetics and kinetics of such processes can deviate from that on flat surfaces. In this study, we unravel the mechanism of a molecular exchange process by studying the displacement of NO by H 2 O in Ni-MOF-74 in real-time using in situ infrared spectroscopy combined with ab initio calculations. We show that weakly bound H 2 O gradually displaces strongly bound NO on the metal sites by first weakening the M–N bond through forming H-bond and then moving the NO away so that it eventually desorbs. Interestingly, we further find that additional water facilitates this exchange by significantly lowering the kinetic barrier associated with this process as well as the overall energy of the final state. Although our study focuses on Ni-MOF-74, we believe that our finding and explanation of unexpected exchange phenomena—where strongly adsorbed molecules are apparently easily displaced by much weaker bound H 2 O—is applicable to a much larger group of frameworks and will be helpful in designing and improving MOFs for real-world applications where humidity is often present.
A new Co–Ni–N–C electrocatalyst for CO 2 reduction, featuring diatomic metal-nitrogen sites on N-doped carbon, has been developed. It shows high CO yield and faradaic efficiency, promising for various electrochemical reactions.
Prussian blue analogues (PBAs) are promising cathode materials for monovalent- and multivalent-ion batteries due to their large framework structures. Nevertheless, the influence of lattice vacancies on their electrochemical performance has not been thoroughly clarified, hindering the further development of PBAs. Here we identify two types of functional vacancies, i.e., structural vacancies (SVs) and incidental vacancies (IVs), in manganese hexacyanoferrate (MnHCF) through synchrotron-based X-ray absorption spectroscopy and density functional theory calculations. Unlike structurally disordered IVs, the introduction of structurally ordered SVs promotes ion transport and reduces the interaction between host ions and the framework, enabling improved cycling and rate performance. The controllable adjustment of SVs in K-rich MnHCF is achieved through a co-reactant method. Furthermore, the partial introduction of SVs in K-rich MnHCF is demonstrated to favor both a milder structural evolution by alleviating the Jahn–Teller distortion of Mn 3+ and a stable dynamic process of interface reaction. As a result, this study unveils the potential importance of incorporating structural vacancies into MnHCF for advanced energy storage applications.
A membrane-based emulsion separator can enable continuous solvent extraction in bioprocessing separations with substantially improved demulsification and mass transfer rates, including where emulsion formation is a challenge.
Bioprocess development enhanced muconate titers and productivities from mixed sugars, leading to reduced production costs and a significant decrease in GHG emissions compared to fossil carbon-based adipic acid production. Created with BioRender.com.