Molecular Design of Chiral Naphthalenediimide-Based Cations for Chiral One-Dimensional Metal Halide Semiconductors with Strong Chiroptical Activity and Amplified Charge Transport Ability
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We propose a universal solid electrolyte design that broadens the selection of ceramic LICs for solid-state lithium metal batteries, without requirements of electronic insulation or (electro)chemical stability.
Polymerization-induced phase separation (PIPS) allows for the control of thermoset morphologies and properties, enabling the tuning of domain sizes and thermomechanical response. However, its use in generating substructural features in additively manufactured materials has been limited. In this work, we combine epoxy PIPS with UV curable acrylate and rheological modifiers to print nano- to macro-phase separating materials via a two-step, dual-cure approach. This method enables direct ink write printing of hierarchical structures with both controlled morphologies through phase separation and macroscale architecture through print design. We find that formulations for phase-separating materials require judicious incorporation of additives to enable printability and to provide sufficient green strength. Atomic force microscopy-nano infrared mapping reveals tunable, reticulated nano- to micron-scale domains of the resultant multiphase materials and their morphology changes due to additives, resulting in alterations to thermomechanical and tensile properties. Shape memory behavior is also demonstrated through multimaterial additive manufacturing of epoxies with functionally graded internal morphology using active mixing techniques, highlighting this method’s ability to fabricate complex architectures with controlled morphologies and thermomechanical response.
This work demonstrates a series of functionalization methods to enhance the utility of thermoplastic-elastomer derived ordered mesoporous carbons, including chemical activation, heteroatom doping, and the introduction of nanoparticles.
A schematic for the preparation of a g-C 3 N 4 -CNT/S composite cathode for lithium–sulfur batteries.
Interfacial doping of conjugated polymers is enabled by sequentially casting phenothiazine-based redox-active polymeric ionic liquids with TFSI − counterions.
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ITRPV silver consumption of standard low-temperature and high-temperature paste as compared to reactive silver ink. As little as 16.4 mg of silver is consumed when a busbarless cell is metallized with reactive silver ink.
Optimizedviamachine learning, extrusion printed thermoelectric materials (BiSbTe) achieve an ultrahighzTof 1.3 at room temperature.
We present the pressure-induced polymerization of 1,4-cyclohexadiene, wherein thermal methods may access multiple reaction pathways. In contrast, light enables solely cyclobutane-based nanothreads to arise from a single viable reaction pathway.
We have developed a comprehensive system model for hydroxide exchange membrane fuel cell (HEMFC)-based light-duty vehicles which allows us to determine the material and system developments needed to enable affordable HEMFC-based cars for the mass market.
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Machine-learning molecular dynamics simulations pave the way to completely treat the anharmonicity of phonons. Low-energy anharmonic modes in transition-metal dichalcogenides drive the thermal and transport properties.
This project, conducted by TDA Research, Inc. in collaboration with GE Research under DOE Award DE-FE0032261, developed and demonstrated advanced structured sorbent-coated contactors for the high-performance Direct Air Capture (DAC) of CO 2 .
Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering rational defect engineering. Here, we overcome this limitation using an artificial intelligence-guided electron microscopy workflow to map the 3D topology and clustering of atomic vacancies in Ti3C2TX MXene. Our approach reconstructs the 3D coordinates of vacancies across hundreds of thousands of lattice sites, generating robust statistical insight into their distribution that can be correlated with specific synthesis pathways. This large-scale data enables us to classify a hierarchy of defect structures-from isolated vacancies to nanopores-revealing their preferred formation and interaction mechanisms, as corroborated by molecular dynamics simulations. This work provides a generalizable framework for understanding and ultimately controlling point defects across large volumes, paving the way for the rational design of defect-engineered functional 2D materials.
In cumulus clouds, aerosol concentrations control cloud droplet concentrations, modifying cloud radiative properties, precipitation processes, and cloud electrification. However, mechanisms of aerosol-deep convection interactions are not well understood due to complex cloud dynamics and microphysics. We investigate the interaction of aerosols with isolated deep convection using Large Eddy Simulations of two cases during the TRacking Aerosol Convection interactions ExpeRiment (TRACER) near Houston, Texas, using a joint cell-thermal tracking algorithm. Cumulus thermals are droplet generators, since supersaturation and droplet nucleation coincide with thermal centers, where the strongest updrafts occur. Primary ice crystal formation does not take place inside thermals, but at layers where previous thermals detrained moisture. As subsequent thermals containing supercooled droplets penetrate these layers, hail and graupel form at or near these thermals. Higher aerosol concentrations result in higher droplet concentrations that suppress drizzle, delay warm rain processes, and transport more moisture aloft. This increases snow and ice amount, as well as graupel and hail, leading to more lightning. Polluted thermals initiate at slightly higher altitudes, and are slightly larger and faster, suggesting a weak invigoration. We also find more thermals per cell, but fewer isolated cells, since convection is more aggregated and intense, especially near the end of the 24 h simulation. Non-linear mesoscale feedback likely triggered by temperature and moisture responses to aerosol-thermal interactions causes the aggregation. Time-lagged aerosol-reinitialization experiments show that the mesoscale response is the predominant forcing for the invigoration. These changes happen within one day, on a smaller scale than previously suggested.
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