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At least 1,405 records · Page 78

Synthesis of multiferroic Er-Fe-O thin films by atomic layer and chemical vapor deposition

R-Fe-O (R = rare earth) compounds have recently attracted high interest as potential new multiferroic materials. Here, we report a method based on the solid-state reaction between Er{sub 2}O{sub 3} and Fe layers, respectively grown by atomic layer deposition and chemical vapor deposition, to synthesize Er-Fe-O thin films. The reaction is induced by thermal annealing and evolution of the formed phases is followed by in situ grazing incidence X-ray diffraction. Dominant ErFeO{sub 3} and ErFe{sub 2}O{sub 4} phases develop following subsequent thermal annealing processes at 850 °C in air and N{sub 2}. Structural, chemical, and morphological characterization of the layers are conducted through X-ray diffraction and reflectivity, time-of-flight secondary ion-mass spectrometry, and atomic force microscopy. Magnetic properties are evaluated by magnetic force microscopy, conversion electron Mössbauer spectroscopy, and vibrating sample magnetometer, being consistent with the presence of the phases identified by X-ray diffraction. Our results constitute a first step toward the use of cost-effective chemical methods for the synthesis of this class of multiferroic thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

TU-F-CAMPUS-I-01: Investigation of the Effective Dose From Bolus Tracking Acquisitions at Different Anatomical Locations in the Chest for CT

Purpose: Stationary table acquisitions (Bolus tracking) in X-ray Computed Tomography (CT) can Result in dose length products (DLP) comparable to spiral scans. It is today unclear whether or not the effective dose (E) for Bolus Tracking can be approximated using target region specific conversion factors (E/DLP). The purpose of this study was to investigate how E depends on the anatomical location of the Bolus Tracking in relation to Chest CT scans with the same DLP. Methods: Effective doses were approximated for the ICRP 110 adult Reference Male (AM) and adult Reference Female (FM) computational voxel phantoms using software for CT dose approximations (pre-simulated MC data). The effective dose was first approximated for a Chest CT scan using spiral technique and a CTDIvol (32 cm) of 6 mGy. The effective dose from the spiral scan was then compared to E approximated for contiguous Bolus Tracking acquisitions (1 cm separation), with a total collimation of 1 cm, over different locations of the chest of the voxel phantoms. The number of rotations used for the Bolus Tracking acquisitions was adjusted to yield the same DLP (32 cm) as the spiral scan. Results: Depending on the anatomical location of the Bolus Tracking, E ranged by factors of 1.3 to 6.8 for the AM phantom and 1.4 to 3.3 for the AF phantom, compared to the effective dose of the spiral scans. The greatest E for the Bolus Tracking acquisitions was observed for anatomical locations coinciding with breast tissue. This can be expected as breast tissue has a high tissue weighting factor in the calculation of E. Conclusion: For Chest CT scans, the effective dose from Bolus Tracking is highly dependent on the anatomical location where the scan is administered and will not always accurately be represented using target region specific conversion factors.

60 APPLIED LIFE SCIENCES↗

Lignin Valorization: Emerging Approaches

Lignin, an aromatic biopolymer found in plant cell walls, is a key component of lignocellulosic biomass and generally utilized for heat and power. However, lignin's chemical composition makes it an attractive source for biological and catalytic conversion to fuels and chemicals. Bringing together experts from biology, catalysis, engineering, analytical chemistry, and techno-economic/life-cycle analysis, Lignin Valorization presents a comprehensive, interdisciplinary picture of how lignocellulosic biorefineries could potentially employ lignin valorization technologies. Chapters will specifically focus on the production of fuels and chemicals from lignin and topics covered include (i) methods for isolating lignin in the context of the lignocellulosic biorefinery, (ii) thermal, chemo-catalytic, and biological methods for lignin depolymerization, (iii) chemo-catalytic and biological methods for upgrading lignin, (iv) characterization of lignin, and (v) techno-economic and life-cycle analysis of integrated processes to utilize lignin in an integrated biorefinery. The book provides the latest breakthroughs and challenges in upgrading lignin to fuels and chemicals for graduate students and researchers in academia, governmental laboratories, and industry interested in biomass conversion.

09 BIOMASS FUELS↗

Novel method for evaluation of natural dyes in DSSC

Dye sensitized Solar Cell (DSSC) is presently centered on Ruthenium based dyes. Recent research is diverted to explore the potential of natural dyes in replacing the conventional dyes. In this work we have chosen few natural dyes, which when coated on TiO{sub 2} leads to increase in absorption capacity of TiO{sub 2}. Co-relation of absorption and electrochemical properties of natural dyes gives a scientific insight of the probable performance of a dye, even without fabricating a cell. We have tried to compare this predictions based on HOMO-LUMO energy levels with the real cell performance. Measurements of cell parameters suggest that there is scope for further research in this area.

30 DIRECT ENERGY CONVERSION↗

Efficient Organic Solar Cell with 16.88% Efficiency Enabled by Refined Acceptor Crystallization and Morphology with Improved Charge Transfer and Transport Properties

Abstract Single‐layered organic solar cells (OSCs) using nonfullerene acceptors have reached 16% efficiency. Such a breakthrough has inspired new sparks for the development of the next generation of OSC materials. In addition to the optimization of electronic structure, it is important to investigate the essential solid‐state structure that guides the high efficiency of bulk heterojunction blends, which provides insight in understanding how to pair an efficient donor–acceptor mixture and refine film morphology. In this study, a thorough analysis is executed to reveal morphology details, and the results demonstrate that Y6 can form a unique 2D packing with a polymer‐like conjugated backbone oriented normal to the substrate, controlled by the processing solvent and thermal annealing conditions. Such morphology provides improved carrier transport and ultrafast hole and electron transfer, leading to improved device performance, and the best optimized device shows a power conversion efficiency of 16.88% (16.4% certified). This work reveals the importance of film morphology and the mechanism by which it affects device performance. A full set of analytical methods and processing conditions are executed to achieve high efficiency solar cells from materials design to device optimization, which will be useful in future OSC technology development.

Zhu, Lei↗

Rotating cylinder electrode in reactive CO 2 capture: Identifying active C species via transport, VLE models and kinetics

Here, this article explores technical challenges and potential methodologies for understanding electrochemical Reactive CO 2 Capture (RCC) mechanisms. RCC offers potential energy cost advantages by directly converting captured CO 2 into fuels and chemicals, unlike traditional carbon capture and utilization (CCU) processes that require sequential capture, concentration, and compression. However, direct conversion of captured CO 2 introduces complexity due to additional equilibrium buffer reactions, making it challenging to identify active species for reduction in electrochemical studies. This article discusses methods to integrate transport, thermodynamics, and kinetics concepts to identify active carbon sources in RCC. Vapor‐Liquid Equilibrium (VLE) and transport models are validated against experimental results obtained in a gastight rotating cylinder electrode reactor and are shown as useful tools for studying RCC in heterogeneous electrocatalysts across different capture agents, solvents, and temperatures. This article establishes an experimental framework for advancing research in electrochemical RCC.

Electrocatalysis↗

Rapid metabolic analysis of Rhodococcus opacus PD630 via parallel 13 C‐metabolite fingerprinting

ABSTRACT For rapid analysis of microbial metabolisms, 13 C‐fingerprinting employs a set of tracers to generate unique labeling patterns in key amino acids that can highlight active pathways. In contrast to rigorous 13 C‐metabolic flux analysis ( 13 C‐MFA), this method aims to provide metabolic insights without expensive flux measurements. Using 13 C‐fingerprinting, we investigated the metabolic pathways in Rhodococcus opacus PD630, a promising biocatalyst for the conversion of lignocellulosic feedstocks into value‐added chemicals. Specifically, seven metabolic insights were gathered as follows: (1) glucose metabolism mainly via the Entner–Doudoroff (ED) pathway; (2) lack of glucose catabolite repression during phenol co‐utilization; (3) simultaneous operation of gluconeogenesis and the ED pathway for the co‐metabolism of glucose and phenol; (4) an active glyoxylate shunt in acetate‐fed culture; (5) high flux through anaplerotic pathways (e.g., malic enzyme and phosphoenolpyruvate carboxylase); (6) presence of alternative glycine synthesis pathway via glycine dehydrogenase; and (7) utilization of preferred exogenous amino acids (e.g., phenylalanine). Additionally, a 13 C‐fingerprinting kit was developed for studying the central metabolism of non‐model microbial species. This low‐cost kit can be used to characterize microbial metabolisms and facilitate the design‐build‐test‐learn cycle during the development of microbial cell factories. Biotechnol. Bioeng. 2016;113: 91–100. © 2015 Wiley Periodicals, Inc.

Hollinshead, Whitney D.↗

On the cogent formulation of an elastomeric silicone ink material for direct ink write ( DIW ) 3D printing

Abstract Adhesives and sealants show fine rheology with good physical and mechanical properties as viscous pastes, a possible starting point for developing direct ink writing (DIW) 3D printing ink. However, many commercial adhesives and sealants take days or weeks to cure fully. DIW 3D‐printed parts made directly from these sealants are not designed for a scalable manufacturing process and high‐volume production. Moreover, most of these adhesives and sealants have volume shrinkage during cure. A systematic understanding of formulation methods and design principles for an elastomeric silicone DIW ink can overcome these issues. This study presents the cogent formulation development of a 3D printable thermoset elastomer silicone that gels and cures isotropically in minutes, reducing cycle time for rapid ink development with no shrinkage during cure. More specifically, we outline the principles of raw material selection of a formulation to achieve excellent rheology, printability, synchronized working, and gel time fitting requirements closer to scalable manufacturing. The reaction kinetics and their corresponding 3D‐printed structural properties are also described. Interest in future work is toward a rational DIW 3D printing ink material development protocol and use of machine learning (ML). Highlights Formulation method flexibility and design principle of DIW ink. Raw material selection principle to achieve optimal rheology for DIW printing. Ink gel kinetics for large‐scale DIW manufacturing. Hydrosilylation conversion over time at different ambient temperatures. Structural properties of DIW 3D printed parts.

36 MATERIALS SCIENCE↗

Promotional Effects of In on Non-Oxidative Methane Transformation Over Mo-ZSM-5

In this paper, we present a new class of catalysts, InMo-ZSM- 5 , which can be prepared by indium impregnation of Mo-ZSM- 5 . The incorporation of indium dramatically decreases coke formation during methane dehydroaromatization. The benzene and C 2 hydrocarbons selectivity among total hydrocarbons over InMo-ZSM- 5 remains comparable to that of Mo-ZSM- 5 despite reduced methane conversion due to decreased coke formation. We found 1 wt% indium to be optimal loading for reducing coke selectivity to half that of Mo-ZSM- 5 . Characterization methods were not helpful in discerning the interaction of In with Mo but experiments with bimetallic 1In2Mo-ZSM- 5 and mechanical mixture 1In+2Mo-ZSM- 5 suggest that In and Mo need to be in close proximity to suppress coke formation. Finally, this is supported by temperature programmed reduction experiments which show that In incorporation leads to lower Mo reduction temperature in In2Mo-ZMS- 5 .

36 MATERIALS SCIENCE↗

Accounting for radiative forcing from albedo change in future global land-use scenarios

We demonstrate the effectiveness of a new method for quantifying radiative forcing from land use and land cover change (LULCC) within an integrated assessment model, the Global Change Assessment Model (GCAM). The method relies on geographically differentiated estimates of radiative forcing from albedo change associated with major land cover transitions derived from the Community Earth System Model. We find that conversion of 1 km² of woody vegetation (forest and shrublands) to non-woody vegetation (crops and grassland) yields between 0 and –0.71 nW/m² of globally averaged radiative forcing determined by the vegetation characteristics, snow dynamics, and atmospheric radiation environment characteristic within each of 151 regions we consider globally. Across a set of scenarios designed to span a range of potential future LULCC, we find LULCC forcing ranging from –0.06 to –0.29 W/m² by 2070 depending on assumptions regarding future crop yield growth and whether climate policy favors afforestation or bioenergy crops. Inclusion of this previously uncounted forcing in the policy targets driving future climate mitigation efforts leads to changes in fossil fuel emissions on the order of 1.5 PgC/yr by 2070 for a climate forcing limit of 4.5 Wm –2 , corresponding to a 12–67 % change in fossil fuel emissions depending on the scenario. Scenarios with significant afforestation must compensate for albedo-induced warming through additional emissions reductions, and scenarios with significant deforestation need not mitigate as aggressively due to albedo-induced cooling. In all scenarios considered, inclusion of albedo forcing in policy targets increases forest and shrub cover globally.

Jones, Andrew D.↗

Lignin-based carbon quantum dots with high fluorescence performance prepared by supercritical catalysis and solvothermal treatment for tumor-targeted labeling

The poor fluorescence performance of lignin-based carbon quantum dots (L-CQDs) prepared using the bottom-up method has hindered their development. Here, in this study, a two-step strategy was proposed to efficiently enhance the fluorescence properties of L-CQDs. Lignin was first cracked using an ethanol supercritical/noble metal catalyst; then, the L-CQDs were prepared with the cracked lignin fragments as carbon precursors without adding any modified reagents. Compared with the OL-CQDs prepared by the traditional one-pot hydrothermal method, the L-CQDs-1 prepared from CL-1 containing much low molecular weight compounds, and have photoluminescence (increased from 63 to 975) and excellent up-conversion photoluminescence (enhanced by 16.3 to 963), which significantly enhanced by about 15 times and 60 times, respectively. They can emit bright blue fluorescence under both ultraviolet and near-infrared light irradiation owing to a large amount of surface defects caused by the rich compound composition. When L-CQDs-1 were combined with, and quenched by folic acid (FA), the prepared FA@L-CQDs-1 show the ability to target and label tumor cells. This study opens new avenues for the preparation of L-CQDs with high fluorescence performance using lignocellulosic material without heteroatom additives.

59 BASIC BIOLOGICAL SCIENCES↗

Polydopamine Surface Coating Synergizes the Antimicrobial Activity of Silver Nanoparticles

Metal nanoparticles, especially silver nanoparticles (AgNPs), have drawn increasing attention for antimicrobial applications. Most studies have emphasized on the correlations between the antibacterial potency of AgNPs and the kinetics of metallic to ionic Ag conversion, while other antimicrobial mechanisms have been underestimated. In this work, we focused on the surface effects of polydopamine (PDA) coating on the antimicrobial activity of AgNPs. A method of fast deposition of PDA was used to synthesize the PDA-AgNPs with controllable coating thickness ranging from 3 to 25 nm. The antimicrobial activities of the PDA-AgNPs were analyzed by fluorescence-based growth curve assays on Escherichia coli. The results indicated that the PDA-AgNPs exhibited significantly higher antibacterial activities than poly(vinylpyrrolidone)-passivated AgNPs (PVP-AgNPs) and PDA themselves. It was found that the PDA coating synergized with the AgNPs to prominently enhance the potency of the PDA-AgNPs against bacteria. Additionally, the analysis of X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy elucidated that the synergistic effects could be originated from the interaction/coordination between Ag and catechol group on the PDA coating. The synergistic effects led to increased generation of reactive oxygen species and the consequent bacterial damage. Overall, these findings demonstrated the importance of the surface effects on the antimicrobial properties of AgNPs. The underlying molecular mechanisms have shined light on the future development of more potent metal nanoparticle-based antimicrobial agents.

36 MATERIALS SCIENCE↗

Sulfide-Based Anode-Free Solid-State Batteries: Key Challenges and Emerging Solutions

Sulfide-based anode-free solid-state batteries (AFSSBs) have emerged as a transformative technology for next-generation energy storage, offering compelling advantages in energy density, safety, and manufacturing scalability. However, these batteries face significant challenges, particularly rapid capacity degradation that currently limits their practical implementation. This comprehensive review critically examines three fundamental issues affecting AFSSBs: nonuniform lithium nucleation on bare current collectors, unstable interfaces between plated lithium and sulfide electrolytes, and formation of interfacial voids during cycling. We systematically evaluate recent strategic advances in addressing these challenges, including metal seed coatings, conversion reaction-based compounds, and carbon-based interlayers. The review also analyzes the crucial role of advanced characterization techniques, from cryo-FIB-SEM to operando methods, in understanding failure mechanisms and validating improvement strategies. Finally, we present a forward-looking perspective on research directions necessary for commercialization. This work provides a thorough framework for understanding and advancing sulfide-based AFSSBs toward practical applications in next-generation energy storage systems.

25 ENERGY STORAGE↗

Macroscopic Monochalcogenide van der Waals Ferroics: Growth, Domain Structures, and Curie Temperature

Two-dimensional and layered van der Waals materials promise to overcome the limitations of conventional ferroelectrics in terms of miniaturization and material integration, but synthesis has produced only small (up to few micrometer-sized) ferroic crystals. Here, we report the realization of in-plane ferroelectric few-layer crystals of the monochalcogenides tin(II) sulfide and selenide (SnS, SnSe) whose linear dimensions exceed the current state of the art by up to 1 order of magnitude. Such large crystals allow the investigation of ferroic domain patterns that are unaffected by edges and finite-size effects. Analysis of the abundant stripe domains by electron microscopy and nanobeam electron diffraction shows two distinct domain types: twin domains separated by positively charged walls with alternating head-to-head and tail-to-tail polarization as well as not previously observed purely rotational domains connected by neutral domain walls with head-to-tail dipoles. Access to large crystals allowed the determination of the Curie temperature of few-layer SnSe van der Waals ferroelectrics, and it enables the investigation of this class of ferroelectrics by widely available methods such as polarized optical microscopy. Furthermore, the combination with layer transfer protocols promises uniform materials for exploring fundamentals and for implementing devices for information processing and energy conversion.

36 MATERIALS SCIENCE↗

Methane Oxidation to Methanol Catalyzed by Cu-Oxo Clusters Stabilized in NU-1000 Metal–Organic Framework

The catalyzed conversion of shale gas-derived light hydrocarbons, e.g. methane to methanol, for further application as automotive fuels and/or bulk chemicals is especially attractive in light of improved methods of hydrocarbon extraction. MOF based catalysts have previously been demonstrated to be active for a range of catalytic reactions. In this work we used Cu-NU1000 as a methane-to-methanol oxidation catalyst. In addition to product studies, in-situ X-ray Absorption Spectroscopic (XAS) experiments are performed under catalytic conditions in order to follow the modification of the Cu-species and directly probe the structure/activity properties of the Cu-NU1000 system. The insights reported herein serve as a first look at metal-organic framework materials as catalysts for methane oxidation and be the basis for development of the subsequent generations of materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A tough and sustainable fiber-forming material from lignin and waste poly(ethylene terephthalate)

In this report we describe repurposing of recycled polyesters as a matrix for lignin-a biorefinery coproduct that is used as a solid fuel and needs to find higher value-to make sustainable high-performance thermoplastic materials. Brittle lignin oligomers, isolated from plant biomass, require a low-melting host polymer matrix to form a rigid and tough renewable material. We demonstrate controlled lignin dispersion and interfacial interactions in softened recycled polyethylene terephthalate (PET) using a simple solvent-free, melt-blending technique. To avoid lignin degradation and devolatilization during melt processing, it was thermally treated. Tall oil fatty acid was used to enable PET processability at low enough temperature to accommodate lignin without charring. Chemical analysis reveals reduction of aliphatic hydroxyl content from 2 mmol g –1 to 1.63 mmol g –1 and an increase of total phenolic hydroxyl moieties from 5.86 to 6.64 mmol g –1 and cleavage of β-O-4 ether linkages due to thermal treatment. Structural transformation of lignin macromolecules during heat treatment was further confirmed by an increase in molar mass and improved thermal stability. Interfacial interactions between lignin and PET were assessed from mechanical properties and thermal analyses. Thermal treatment not only helps to improve the stability of lignin but also slightly reduces the size of the dispersed lignin domains via favored interfacial interactions with the PET matrix. These methods improve mechanical properties of the material. Further, incorporation of lignin in the plasticized PET matrix increases the ductility in the blended products. Here, the method we discuss here utilizes industrial wastes and co-products, and it does not require solvent or toxic chemicals during the reactive extrusion process that yields complete conversion to products.

36 MATERIALS SCIENCE↗

Variational symplectic particle-in-cell simulation of nonlinear mode conversion from extraordinary waves to Bernstein waves

In this paper, the nonlinear mode conversion of extraordinary waves in nonuniform magnetized plasmas is studied using the variational symplectic particle-in-cell simulation. The accuracy of the nonlinear simulation is guaranteed by the long-term accuracy and conservativeness of the symplectic algorithm. The spectra of the electromagnetic wave, the evolution of the wave reflectivity, the energy deposition profile, and the parameter-dependent properties of radio-frequency waves during the nonlinear mode conversion are investigated. It is illustrated that nonlinear effects significantly modify the physics of the radio-frequency injection in magnetized plasmas. The evolutions of the radio-frequency wave reflectivity and the energy deposition are observed, as well as the self-interaction of the Bernstein waves and mode excitations. Even for waves with small magnitude, nonlinear effects can also become important after continuous wave injections, which are common in the realistic radio-frequency wave heating and current drive experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Correlation between the fine structure of spin-coated PEDOT:PSS and the photovoltaic performance of organic/crystalline-silicon heterojunction solar cells

We investigated the relationship between the fine structure of spin-coated conductive polymer poly(3,4-ethylenedioxythiphene):poly(styrene sulfonate) (PEDOT:PSS) films and the photovoltaic performance of PEDOT:PSS crystalline-Si (PEDOT:PSS/c-Si) heterojunction solar cells. Real-time spectroscopic ellipsometry revealed that there were two different time constants for the formation of the PEDOT:PSS network. Upon removal of the polar solvent, the PEDOT:PSS film became optically anisotropic, indicating a conformational change in the PEDOT and PSS chain. Polarized Fourier transform infrared attenuated total reflection absorption spectroscopy and Raman spectroscopy measurements also indicated that thermal annealing promoted an in-plane π-conjugated C{sub α} = C{sub β} configuration attributed to a thiophene ring in PEDOT and an out-of-plane configuration of -SO{sub 3} groups in the PSS chain with increasing composition ratio of oxidized (benzoid) to neutral (quinoid) PEDOT, I{sub qui}/I{sub ben}. The highest power conversion efficiency for the spin-coated PEDOT:PSS/c-Si heterojunction solar cells was 13.3% for I{sub qui}/I{sub ben} = 9–10 without employing any light harvesting methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗