Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “interconnections”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Seawater Desalination Derived Entirely from Ocean Biomass

Solar-driven interfacial evaporation shows great prospects for seawater desalination with its rapid fast evaporation rate and high photothermal conversion efficiency. Here, a sustainable, biodegradable, non-toxic, and highly efficient full ocean biomass-based solar-driven evaporator is reported, which is composed of chitosan (CS) hydrogel as the hydratable skeleton and cuttlefish ink (CI) as the photothermal material. Under solar irradiation, the cuttlefish ink powder harvests solar energy and heats the surrounding water. Simultaneously, the water in the three-dimensional network of chitosan hydrogel is rapidly replenished by the interconnected porous structure and the hydrophilic functional groups attached to the polymer chains. With its enlarged evaporation surface, high solar absorptance, adequate water transportation, good salt drainage, and heat localization, the CI/CS-based evaporator achieves a remarkable evaporation rate of 4.1 kg m-2 h-1 under one sun irradiance (1 kW m-2) with high-quality freshwater yields. This full ocean biomass-based evaporator with abundant raw material availability provides new possibilities for an efficient, stable, sustainable, and environmentally friendly solar evaporator with guaranteed water quality.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2021

Side chain engineering control of mixed conduction in oligoethylene glycol-substituted polythiophenes

A major limitation for polymeric mixed ionic/electronic conductors (MIECs) is the trade-off between ionic and electronic conductivity; changes made that improve one typically hinder the other. In order to address this fundamental problem, this work provides insight into ways that we could improve one type of conduction without hindering the other. Here, we investigated a common oligoethylene glycol side chain polymer by adjusting the oxygen atom content and position, providing structural insights for materials that better balanced the two conduction pathways. The investigated polymer series showed the prototypical conflict between ionic and electronic conduction for oxygen atom content, with increasing oxygen atom content increasing ionic conductivity, but decreasing electronic conductivity; however, by increasing the oxygen atom distance from the polymer backbone, both ionic and electronic conductivity could be improved. Following these rules, we show that poly(3-(methoxyethoxybutyl)thiophene), when blended with lithium bistrifluoromethanesulfonimide (LiTFSI), matches the ionic conductivity of a comparable MIEC [poly(3-(methoxyethoxyethoxymethyl)thiophene)], while simultaneously showing higher electronic conductivity, highlighting the potential of this design strategy. We also provide strategies for tuning the MIEC performance to fit a desired application, depending on if electronic, ionic, or balanced conduction is most important. These results have implications beyond just polythiophene-based MIECs, as these strategies for balancing backbone crystallization and coordinating group interconnectivity apply for all semicrystalline conjugated polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Influence of the molecular weight and size distribution of PSS on mixed ionic-electronic transport in PEDOT:PSS

The commercially available polyelectrolyte complex poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) is ubiquitous in organic and hybrid electronics. As such, it has often been used as a benchmark material for fundamental studies and the development of new electronic devices. Yet, most studies on PEDOT:PSS have focused on its electronic conductivity in dry environments, with less consideration given to its ion transport, coupled ionic-electronic transport, and charge storage properties in aqueous environments. These properties are essential for applications in bioelectronics (sensors, actuators), charge storage devices, and electrochromic displays. Importantly, past studies on mixed ionic-electronic transport in PEDOT:PSS neglected to consider how the molecular structure of PSS affects mixed ionic-electronic transport. Herein, we therefore investigated the effect of the molecular weight and size distribution of PSS on the electronic properties and morphology of PEDOT:PSS both in dry and aqueous environments, and overall performance in organic electrochemical transistors (OECTs). Using reversible addition–fragmentation chain transfer (RAFT) polymerization with two different chain transfer agents, six PSS samples with monomodal, narrow (D = 1.1) and broad (D = 1.7) size distributions and varying molecular weights were synthesized and used as matrices for PEDOT. We found that using higher molecular weight of PSS (Mn = 145 kg mol –1 ) and broad dispersity led to OECTs with the highest transconductance (up to 16 mS) and [μC*] values (~140 F cm –1 V –1 s –1 ) in PEDOT:PSS, despite having a lower volumetric capacitance (C* = 35 ± 4 F cm –3 ). The differences were best explained by studying the microstructure of the films by atomic force microscopy (AFM). We found that heterogeneities in the PEDOT:PSS films (interconnected and large PEDOT- and PSS-rich domains) obtained from high molecular weight and high dispersity PSS led to higher charge mobility (μOECT ~4 cm 2 V –1 s –1 ) and hence transconductance. Furthermore, these studies highlight the importance of considering molecular weight and size distribution in organic mixed ionic-electronic conductor, and could pave the way to designing high performance organic electronics for biological interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Hydrogen bonds and dispersion forces serving as molecular locks for tailored Group 11 bis(amidine) complexes

A flexible polydentate bis(amidine) ligand LH 2 , LH 2 = {CH 2 NH( t Bu)C=N-2-(6-MePy)} 2 , operates as a molecular lock for various coinage metal fragments and forms the dinuclear complexes [LH 2 (MCl) 2 ], M = Cu (1), Au (2), the coordination polymer [{(LH 2 ) 2 (py) 2 (AgCl) 3 }(py) 3 ] n (3), and the dimesityl-digold complex [LH 2 (AuMes) 2 ] (4) by formal insertion of MR fragments (M = Cu, Ag, Au; R = Cl, Mes) into the N–H∙∙∙N hydrogen bonds of LH 2 in yields of 43–95%. Complexes 1, 2, and 4 adopt C 2 -symmetrical structures in the solid state featuring two interconnected 11-membered rings that are locked by two intramolecular N–H∙∙∙R–M hydrogen bonds. QTAIM analyses of the computational geometry-optimized structures 1a, 2a, and 4a reveal 13, 11, and 22 additional bond critical points, respectively, all of which are related to weak intramolecular attractive interactions, predominantly representing dispersion forces, contributing to the conformational stabilization of the C2-symmetrical stereoisomers in the solid state. Variable-temperature 1 H NMR spectroscopy in combination with DFT calculations indicate a dynamic conformational interconversion between two C 2 -symmetrical ground state structures in solution (ΔG ‡ c = 11.1–13.8 kcal mol –1 ), which is accompanied by the formation of an intermediate possessing C i symmetry that retains the hydrogen bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

NaCo 2 (SeO 3 ) 2 (OH): competing magnetic ground states of a new sawtooth structure with 3d 7 Co 2+ ions

While certain magnetic sublattices have long been known theoretically to give rise to emergent physics via competing magnetic interactions and quantum effects, finding such configurations in real materials is often deeply challenging. Here we report the synthesis and characterization of a new such material, NaCo 2 (SeO 3 ) 2 (OH) which crystallizes with a highly frustrated sublattice of sawtooth Co 2+ chains. Single crystals of NaCo 2 (SeO 3 ) 2 (OH) were synthesized using a low-temperature hydrothermal method. X-ray single crystal structure analysis reveals that the material crystallizes in orthorhombic space group of Pnma (no. 62). Its crystal structure exhibits one-dimensional chains of corner-sharing isosceles triangles that are made of two crystallographically distinct 3d 7 Co 2+ sites (Co(1) and Co(2)). The chains run along the b-axis and are interconnected via [SeO 3 ] groups to form a three-dimensional structure mediating super-exchange interactions. The temperature dependent magnetization data show a ferromagnetic-like (FM) transition at 11 K (T 1 ) followed by an antiferromagnetic (AFM) transition at about 6 K (T 2 ). Neutron-powder diffraction measurements reveal that at T 1 = 11 K only the Co(2) site orders magnetically, forming ferromagnetic zigzag chains along the b-axis. Below T 2 = 6 K, both Co(1) and Co(2) sites order in a nearly orthogonal configuration, with Co(1) moments lying inside the plane of the sawtooth chain while Co(2) moments cant out of the plane. The canting of the magnetic moments leads to a net ferromagnetic component along b-axis, parallel to the chain direction. The ordered moments are fully compensated in the ac-plane. Inelastic neutron scattering measurements reveal crystal field excitations that are consistent with the presence of a spin–orbital entangled pseudo-spin state J eff = 1/2 for the Co 2+ ions. Low-energy spin-wave excitations are observed below the second magnetic transition. The analysis of powder excitation spectrum suggests complex exchange interactions that go beyond a Heisenberg Hamiltonian model with nearest neighbor couplings. Our results demonstrate the richness of the magnetic properties of sawtooth-type structures and encourage the study of similar structures with different oxyanion groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Beyond electrical conductance: progress and prospects in single-molecule junctions

The idea of using individual molecules as conducting wires, regulators, and interconnects for charges in electronic circuitry has catalyzed the vibrant development of the field of single-molecule electronics. The ability to reliably and repeatedly construct single-molecule junctions (SMJs) has enabled the study of charge transport through a broad spectrum of individual molecules. Over the past decade, the capability of the SMJ platform has been greatly expanded thanks to the development of new experimental techniques and the integration of knowledge and methodologies from other disciplines. New opportunities beyond electrical conductance have emerged at the atomic and molecular scale. It has been demonstrated in many recent studies that the SMJ can now serve as a powerful and versatile tool to address critical physical and chemical questions that are otherwise inaccessible. Furthermore, this perspective focuses on the new capabilities and functionalities of the SMJ beyond conductance measurements and how they have enabled the investigation of crucial single-molecule processes and advanced our understanding beyond molecular electronics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Highly soluble copper(ι) iodide-based hybrid luminescent semiconductors containing molecular and one-dimensional coordinated anionic inorganic motifs

Copper(I) iodide-based inorganic–organic hybrid semiconductors are considered promising materials for various optoelectronic applications. Here, using imidazolium bridged benzotriazoles as multidentate ligands, we designed and synthesized a series of all-in-one (AIO)-type CuI hybrid materials that hold both ionic and coordinate bonds at the interface of organic and inorganic modules. Their structures range from 0D clusters to 2D extended networks built on various molecular (0D) and chain-like (1D) anionic inorganic motifs that are interconnected through cationic ligands via multiple Cu–N bonds. Benefiting from their unique bonding nature, these compounds exhibit high stability towards heat and moisture and can be well dissolved in polar aprotic solvents. They emit low-energy light spanning from yellow to red color (550–625 nm). Finally, the electronic structure, emission mechanism, and effect of different coordination modes on their photophysical properties were studied using both experimental and theoretical methods, which has provided insight into the structure–property relationship of these inorganic–organic semiconductors.

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

Role of aggregates and microstructure of mixed-ionic–electronic-conductors on charge transport in electrochemical transistors

Synthetic efforts have delivered a library of organic mixed ionic–electronic conductors (OMIECs) with high performance in electrochemical transistors. The most promising materials are redox-active conjugated polymers with hydrophilic side chains that reach high transconductances in aqueous electrolytes due to volumetric electrochemical charging. Current approaches to improve transconductance and device stability focus mostly on materials chemistry including backbone and side chain design. However, other parameters such as the initial microstructure and microstructural rearrangements during electrochemical charging are equally important and are influenced by backbone and side chain chemistry. In this study, we employ a polymer system to investigate the fundamental electrochemical charging mechanisms of OMIECs. We couple in situ electronic charge transport measurements and spectroelectrochemistry with ex situ X-ray scattering electrochemical charging experiments and find that polymer chains planarize during electrochemical charging. Our work shows that the most effective conductivity modulation is related to electrochemical accessibility of well-ordered, interconnected aggregates that host high mobility electronic charge carriers. Electrochemical stress cycling induces microstructural changes, but we find that these aggregates can largely maintain order, providing insights on the structural stability and reversibility of electrochemical charging in these systems. Finally, this work shows the importance of material design for creating OMIECs that undergo structural rearrangements to accommodate ions and electronic charge carriers during which percolating networks are formed for efficient electronic charge transport.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Superior metal storage behavior of Zn-containing porous carbon nanostructures for Na and Li metal batteries

Na and Li metals are ideal anodes for high-energy rechargeable batteries. However, their poor coulombic efficiency and the associated safety issues due to dendritic metal deposition and large volume changes during metallic plating/stripping are the major causes that persistently hinder their practical energy-storage applications. Herein, Zn-containing carbon nanostructures derived from typical zeolitic imidazolate framework-8 (ZIF-8) are proposed as advanced metal anode materials for both Na and Li metal batteries. In this study; the three-dimensional interconnected porous surfaces confine metallic Na and Li within the nanostructures, filling the carbon scaffold, and covering the electrode surface to form stable solid electrolyte interphases. Based on the metal nucleation and growth results obtained through various electrochemical tests, Zn incorporation and pore morphology have been revealed to be the key factors that regulate the metal nucleation and metallic plating/stripping during cycling. Thus, the incorporation of Zn in the closed pores of a carbon nanostructure improves the cycle performance, even in carbonate electrolytes, and produces stable Na and Li metallic anodes for next-generation rechargeable batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Topology driven and soft phonon mode enabled Na-ion diffusion in quaternary chalcogenides, Na 3 ZnGaX 4 (X = S, and Se)

The compounds Na 3 ZnGaX 4 (X = S, Se) are potential solid electrolyte materials in sodium-based batteries, which have certain advantages over oxide materials and have shown significant ionic conductivity at ambient temperature. In this paper, we bring out atomic-level features of the diffusion process in these new materials using the microscopic techniques of inelastic neutron scattering (INS), quasielastic neutron scattering (QENS), and ab initio molecular dynamics (AIMD) simulations. The insights obtained from these techniques are unique and not available from other macroscopic experiments. Neutron scattering experiments have been performed at temperatures from 100 to 700 K. The simulations have been carried out up to 900 K. We have calculated the phonon spectra and the space–time correlation functions and found good agreement with the results of the neutron scattering experiments. The simulations enable detailed analysis of the atomic-site dependent dynamical information. We observe low-energy phonon modes of ~6 meV involving the vibrations of certain Na atoms in the lattice. This reveals that the Na at 32g Wyckoff sites (Na2) has sufficiently shallow potential among the two available crystallographic sites. This shallow potential facilitates diffusion. Furthermore, the specific structural topology of the network of interconnected zig-zag chains of the Na2 atomic sites provides the low-barrier energy pathways for diffusion. A small fraction of vacancy defects appears essential for diffusion. We further observe that the Na2 atoms undergo jump-like diffusion to the vacant next or the 2nd next neighbour sites at ~4 Å. While the QENS experiments reveal the jump-like diffusion and its time scale, detailed analysis of the AIMD simulations shows that the jumps appear mostly along zig-zag chains of the Na2 sites in the tetragonal ab-plane, as well as between the chains along the c-axis. In conclusion, the net diffusion is essentially 3-dimensional, with little anisotropy despite the anisotropy of the tetragonal crystal structure.

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

Sequence-dependent self-assembly of supramolecular nanofibers in periodic dynamic block copolymers

Block copolymers (BCPs) can spontaneously self-assemble into various nanostructured morphologies which enable their diverse applications in selective membranes, polymer electrolytes, and optoelectronics. To expand the range of nanostructures accessible to block copolymers, we designed dynamic block copolymers (DBCPs) that combine the phase separation of traditional block copolymers with the supramolecular self-assembly of periodic dynamic polymers. We demonstrate that DBCPs synthesized with a periodic block sequence self-assemble into high aspect ratio supramolecular nanofibers with well-ordered PEG and PDMS domains, in contrast to those synthesized with a random sequence which do not form nanofibers but have disordered morphologies. The periodicity of the block sequence ensures regular placement of dynamic bonds along the polymer chain, which enables stacking of the hydrogen bonding units into ordered 1D supramolecular nanofibers and delays the onset of terminal flow by up to 60 °C compared to the random block sequence. The hierarchically assembled supramolecular nanofibers display complex mechanical and thermal phase behavior arising from the interplay between phase separation of the dissimilar polymer backbones and supramolecular interactions between dynamic bonds. Despite identical bulk composition, the periodic DBCPs demonstrate ionic conductivity values over two orders of magnitude higher than their random counterparts due to the formation of well-ordered, interconnected, high aspect ratio ion-transporting PEG domains. In conclusion, these results highlight the potential for DBCPs as an emerging material platform to achieve advanced, self-assembled nanostructured morphologies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry

Active Thermochemical Tables (ATcT) were successfully used to resolve the existing inconsistencies related to the thermochemistry of glycine, based on statistically analyzing and solving a thermochemical network that includes >3350 chemical species interconnected by nearly 35 000 thermochemically-relevant determinations from experiment and high-level theory. Here, the current ATcT results for the 298.15 K enthalpies of formation are −394.70 ± 0.55 kJ mol −1 for gas phase glycine, −528.37 ± 0.20 kJ mol −1 for solid α-glycine, −528.05 ± 0.22 kJ mol −1 for β-glycine, −528.64 ± 0.23 kJ mol −1 for γ-glycine, −514.22 ± 0.20 kJ mol −1 for aqueous undissociated glycine, and −470.09 ± 0.20 kJ mol −1 for fully dissociated aqueous glycine at infinite dilution. In addition, a new set of thermophysical properties of gas phase glycine was obtained from a fully corrected nonrigid rotor anharmonic oscillator (NRRAO) partition function, which includes all conformers. Corresponding sets of thermophysical properties of α-, β-, and γ-glycine are also presented.

Active Thermochemical Tables↗
DOE OSTI2025

Enhanced upconversion and photoconductive nanocomposites of lanthanide-doped nanoparticles functionalized with low-vibrational-energy inorganic ligands

Upconverting nanoparticles (UCNPs) convert near-infrared (IR) light into higher-energy visible light, allowing them to be used in applications such as biological imaging, nano-thermometry, and photodetection. It is well known that the upconversion luminescent efficiency of UCNPs can be enhanced by using a host material with low phonon energies, but the use of low-vibrational-energy inorganic ligands and non-epitaxial shells has been relatively underexplored. Here, we investigate the functionalization of lanthanide-doped NaYF4 UCNPs with low-vibrational-energy Sn2S64- ligands. Raman spectroscopy and elemental mapping are employed to confirm the binding of Sn2S64- ligands to UCNPs. This binding enhances upconversion efficiencies up to a factor of 16, consistent with an increase in the luminescent lifetimes of the lanthanide ions. Annealing Sn2S64--capped UCNPs results in the formation of a nanocomposite comprised of UCNPs embedded within an interconnected matrix of SnS2, enabling each UCNP to be electrically accessible through the semiconducting SnS2 matrix. This facilitates the integration of UCNPs into electronic devices, which we demonstrate through the fabrication of a UCNP-SnS2 photodetector that detects UV and near-IR light. Our findings show the promise of using inorganic capping agents to enhance the properties of UCNPs while facilitating their integration into optoelectronic devices.

Pan, Jia-Ahn↗
DOE OSTI2025

Signal propagation in reversible digital mechanics

Digital mechanics explores information processing through binary, mechanical circuits. This work demonstrates a flexural, mechanical integrated circuit (m-IC) that achieves reversible, non-reciprocal signal propagation through integrated AND logic and memory. Our approach exploits sequential bistable transitions with symmetric energy wells, tunable stiffness, impedance matching, and AND gate non-linearity, to enable signal propagation, repeatability, and reversibility. We present a generalized model of logic kinematics and energetics, validated experimentally, to study energy flows, quantify energetic limits, and identify operating regimes for reversible logic. Macro-scale experiments confirm propagation dynamics, and new fabrication methods extend the architecture to micro-scale devices. By achieving controlled, reversible signal transmission across interconnected logic and memory, this work establishes a scalable platform for robust mechanical computing and adaptive sensing.

Johnson, Hilary A. [Lawrence Livermore National La↗
DOE OSTI2025

Genetic control of morphological transitions in a coacervating protein template

Nature routinely exploits liquid–liquid phase separation (LLPS) of proteins to control the assembly and mineralization of hybrid materials. Here, we show that fusion of the Car9 silica-binding peptide to an elastin-like polypeptide (ELP) yields temperature- and sequence-programmable soft matter templates for the synthesis of silicified architectures ranging in size from nanometers to micrometers. Specifically, we demonstrate unprecedented control over the diameter of silica nanoparticles (SiNP) in the 30–60 nm range with 4 nm precision, show that a single arginine residue (R4) in the Car9 sequence underpins the transition from micelles to proteinosomes, and find that substitutions in other basic residues modulate electrostatic repulsion and solvation to enable access to kinetically trapped species. These structures, which include interconnected micelles, small (∼200 nm) and large (>5 µm) vesicles, are readily visualized by SEM imaging following silicification. Molecular dynamics (MD) simulations and AlphaFold predictions reveal that mutations in positively charged residues alter interfacial packing, hydration, and conformational freedom of the silica-binding segments. Overall, our results establish sequence and thermal energy as synergistic levers for morphological control across length scales using solid-binding ELPs and establish mineralization as a powerful tool to visualize the structure of dynamic soft matter assemblies.

hierarchy↗
DOE OSTI2025

Amorphous zinc–molybdenum–sulfide chalcogel as a long-cycle, high-capacity electrode for lithium-ion batteries

The inherent limitations of intercalation-based electrodes in lithium-ion batteries have prompted the search for alternative materials with higher specific capacities and robust electrochemical stability. Sulfur-based electrodes, despite their high theoretical capacities (1672 mAh g −1 ), typically suffer from poor cycling performance. In this work, zinc molybdenum polysulfide (Zn x Mo 3 S 13 , 0.5 ≤ x), an amorphous semiconductor chalcogel, exhibits high specific capacity and excellent cycling stability. Synchrotron X-ray pair distribution function and extended X-ray absorption fine structure analyses reveal a short-range atomic structure comprising Mo–Mo, M–S (M = Mo, Zn), and S–S bonding motifs. The coordination environment of Mo and S closely resembles that of Mo 3 S 13 clusters, interconnected via S–S bridges and Zn 2+ cations. The Li/Zn x Mo 3 S 13 cell delivers an initial discharge capacity of 844 mAh g −1 at C/3, and retains 386.2 mAh g −1 after 1000 cycles with an average coulombic efficiency of 99.99%. The distribution of relaxation times analysis confirms the formation of a stable solid electrolyte interphase, which underpins the cell's long-term stability. In conclusion, this outstanding performance is attributed to the synergistic effects of the chalcogel's unique amorphous framework, semiconductive character, Zn-mediated polysulfide anchoring, and structural resilience, positioning Zn x Mo 3 S 13 chalcogel among the most durable pure metal sulfide cathodes reported for next-generation LIBs.

36 MATERIALS SCIENCE↗