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At least 1,081 records · Page 60

Photothermal alternative to device fabrication using atomic precision advanced manufacturing techniques

The attachment of dopant precursor molecules to depassivated areas of hydrogen-terminated silicon templated with a scanning tunneling microscope (STM) has been used to create electronic devices with subnanometer precision, typically for quantum physics experiments. This process, which we call atomic precision advanced manufacturing (APAM), dopes silicon beyond the solid-solubility limit and produces electrical and optical characteristics that may also be useful for microelectronic and plasmonic applications. However, scanned probe lithography lacks the throughput required to develop more sophisticated applications. In this work, we demonstrate and characterize an APAM device workflow where scanned probe lithography of the atomic layer resist has been replaced by photolithography. An ultraviolet laser is shown to locally and controllably heat silicon above the temperature required for hydrogen depassivation on a nanosecond timescale, a process resistant to under- and overexposure. STM images indicate a narrow range of energy density where the surface is both depassivated and undamaged. Modeling that accounts for photothermal heating and the subsequent hydrogen desorption kinetics suggests that the silicon surface temperatures reached in our patterning process exceed those required for hydrogen removal in temperature-programmed desorption experiments. A phosphorus-doped van der Pauw structure made by sequentially photodepassivating a predefined area and then exposing it to phosphine is found to have a similar mobility and higher carrier density compared with devices patterned by STM. Lastly, it is also demonstrated that photodepassivation and precursor exposure steps may be performed concomitantly, a potential route to enabling APAM outside of ultrahigh vacuum.

nanoscale devices↗

Effect of Surface Oxidation and Crystal Thickness on the Magnetic Properties and Magnetic Domain Structures of Cr 2 Ge 2 Te 6

van der Waals (vdW) magnetic materials, such as Cr 2 Ge 2 Te 6 (CGT), show promise for memory and logic applications. This is due to their broadly tunable magnetic properties and the presence of topological magnetic features such as skyrmionic bubbles. A systematic study of thickness and oxidation effects on magnetic domain structures is important for designing devices and vdW heterostructures for practical applications. Here, we investigate thickness effects on magnetic properties, magnetic domains, and bubbles in oxidation-controlled CGT crystals. We find that CGT exposed to ambient conditions for 5 days forms an oxide layer approximately 5 nm thick. This oxidation leads to a significant increase in the oxidation state of the Cr ions, indicating a change in local magnetic properties. This is supported by real-space magnetic texture imaging through Lorentz transmission electron microscopy. By comparing the thickness-dependent saturation field of oxidized and pristine crystals, we find that oxidation leads to a nonmagnetic surface layer that is thicker than the oxide layer alone. We also find that the stripe domain width and skyrmionic bubble size are strongly affected by the crystal thickness in pristine crystals. Finally, these findings underscore the impact of thickness and surface oxidation on the properties of CGT, such as saturation field and domain/skyrmionic bubble size, and suggest a pathway for manipulating magnetic properties through a controlled oxidation process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Volt/VAR Optimization (VVO) Application on GridAPPS-D Platform

There is a large increment in the distributed energy resources (DERs) installation and deployments of smart sensing devices and communication infrastructure; hence, the power distribution network is swiftly evolving from a passive network to an active network. This motivates the development of advanced applications to operate power distribution systems for higher efficiency and reliability. These advanced applications are model-based and data-driven. This requires an advanced distribution management system (ADMS) to provide required data for the optimal operation of the distribution systems by coordinating various grid controllable devices. In this paper a Volt-VAR optimization (VVO) application to coordinate the grid’s legacy and new voltage control devices for conservation voltage reduction (CVR) is deployed on the GridAPPS-D platform (an open-source platform ) for ADMS application development. The VVO application is validated for various operating conditions on using modified IEEE 8500-node distribution test feeders. Further, the application is successfully deployed on the GridAPPS-D platform.

Jha, Rahul↗

Distribution System Pricing with Distributed Energy Resources

Technological changes in the electric utility industry bring tremendous opportunities and significant challenges. Customers are installing clean sources of on-site generation such as rooftop solar photovoltaic (PV) systems. At the same time, smart appliances and control systems that can communicate with the grid are entering the retail market. Among the opportunities these changes create are a cleaner and more diverse power system, the ability to improve system reliability and system resilience, and the potential for lower total costs. Challenges include integrating these new resources in a way that maintains system reliability, provides an equitable sharing of system costs, and avoids unbalanced impacts on different groups of customers, including those who install distributed energy resources (DERs) and low-income households who may be the least able to afford the transition.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Gas Hydrate Stability at Low Temperatures and High Pressures with Applications to Mars and Europa

Gas hydrates are implicated in the geochemical evolution of both Mars and Europa [1- 3]. Most models developed for gas hydrate chemistry are based on the statistical thermodynamic model of van der Waals and Platteeuw [4] with subsequent modifications [5-8]. None of these models are, however, state-of-the-art with respect to gas hydrate/electrolyte interactions, which is particularly important for planetary applications where solution chemistry may be very different from terrestrial seawater. The objectives of this work were to add gas (carbon dioxide and methane) hydrate chemistries into an electrolyte model parameterized for low temperatures and high pressures (the FREZCHEM model) and use the model to examine controls on gas hydrate chemistries for Mars and Europa.

Marion, G. M.↗

Wall Upgrades for Residential Deep Energy Retrofits: A Literature Review

In the United States, 39% of total energy consumption comes from the building sector, 20% of which is attributed to residential buildings. New, high-performance homes incorporate a combination of tight building envelopes, mechanical ventilation and efficient components to ensure comfort, adequate airflow and moisture control. These systems work together to create energy efficient homes that employ measures to manage moisture and indoor pollutants. Older homes, built before 1992 when DOE’s Building Energy Codes Program was established represent approximately 68% of building stock in the country, and often have significant air leakage and inadequate insulation. Homes with little to no air sealing or insulation result in heating and cooling losses, which can represent a substantial portion of utility bills. Done correctly, deep energy retrofits (DERs) can significantly improve the energy performance of a home’s thermal envelope, decrease indoor pollutants and increase homeowner comfort. This literature review summarizes current practices for exterior wall retrofits for existing homes, provides an overview of techno-economic approaches to investigate residential wall systems, and discusses thermal and hygrothermal modeling strategies. Accompanying this literature review is a larger effort to identify state-of-the-art technologies for existing wall energy efficiency retrofit systems that can be applied over existing siding and are suitable for the cold/very cold climates.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Observation of Topological Chirality Switching Induced Freezing of a Skyrmion Crystal

Magnetic skyrmions are topologically protected quasi-particles with a well-defined chirality. Control over their chirality is proposed as an additional feature for encoding data bits or as qubits in quantum computing due to their high efficiency and stability against achiral magnetic textures. Here it is shown that an in-plane magnetic field can be utilized to reshape the energy barriers between different skyrmionic bubbles (e.g., Bloch type, type-II) enabling spontaneous chirality fluctuations with a frequency that increases with the strength of the in-plane field. The insulating van der Waals ferromagnet CrBr3 is used as an archetypal system for low damping, reduced energy dissipation and a high number of magnetic phases to capture the chirality dynamics in real time through cryo-Lorentz transmission electron microscopy. It is observed that the interplay between the intrinsic Dzyaloshinskii–Moriya interaction and out-of-plane field biased the chirality dynamics, favoring one handedness over the other. A remarkable consequence of the spontaneous chirality switching mechanism is that it induces a freezing (or crystallization) process in the skyrmion lattice. As the bubbles fluctuate between Bloch and type-II they elongate and shrink parallel to the in-plane field. Subsequently, the overall lattice crystallizes along the in-plane field direction, inducing a phase transition from a disordered liquid state to a hexatic phase where skyrmions are highly ordered resembling that of a solid. The results indicate chirality as an active element in the creation of topologically protected skyrmion crystals unveiling pathways toward chiral spintronic device platforms with tunable embedded configuration.

2D Phase Transition↗

Wafer-scale growth of two-dimensional, phase-pure InSe

Two-dimensional (2D) indium monoselenide (InSe) has attracted significant attention as an ultrathin III–VI semiconductor with a combination of favorable attributes that are comparable to those of III–V semiconductors and van der Waals 2D transition-metal dichalcogenides. Nevertheless, there has been no demonstration of large-area synthesis of 2D InSe due to the complexity of the binary In-Se system and the difficulties in promoting lateral growth. Here, we report the polymorph-selective synthesis of epitaxial 2D InSe by metal-organic chemical vapor deposition (MOCVD) over 2-in wafers. We achieve polymorph-selective epitaxial growth of InSe on c-plane sapphire via flow modulation to control the Se/In ratio. The layer-by-layer growth allows thickness control with tunable optical properties comparable to those of bulk crystals. We also demonstrate gate-tunable electrical transport with a field-effect mobility comparable to that of single-crystalline flakes. Importantly, these results indicate that InSe grown by MOCVD could be an effective channel material for back-end-of-line integration in logic transistors.

2D materials↗

Quantum Chemical Study of CH 3 + O 2 Combustion Reaction System: Catalytic Effects of Additional CO 2 Molecule

The supercritical carbon dioxide diluent is used to control the temperature and to increase the efficiency in oxycombustion fossil fuel energy technology. It may affect the rates of combustion by altering mechanisms of chemical reactions, compared to the ones at low CO 2 concentrations. In this work, we explore potential energy surfaces of the four elementary reactions in the CH 3 + O 2 reactive system in the presence of one CO 2 molecule. In the case of reaction CH 3 + O 2 → CH 2 O + OH (R1 channel), van der Waals (vdW) complex formation stabilizes the transition state and reduces the activation barrier by ~2.2 kcal/mol. Alternatively, covalently bonded CO 2 may form a six-membered ring transition state and reduce the activation barrier by ~0.6 kcal/mol. In case of reaction CH 3 + O 2 → CH 3 O + O (R2 channel), covalent participation of CO 2 lowers the barrier for the rate limiting step by 3.9 kcal/mol. This is expected to accelerate the R2 process, important for the branching step of the radical chain reaction mechanism. For the reaction CH 3 + O 2 → CHO + H 2 O (R3 channel) with covalent participation of CO 2 , the activation barrier is lowered by 0.5 kcal/mol. The reaction CH 2 O + OH → CHO + H 2 O (R4 channel) involves hydrogen abstraction from formaldehyde by OH radical. Its barrier is reduced from 7.1 to 0.8 kcal/mol by formation of vdW complex with spectator CO 2 . These new findings are expected to improve the kinetic reaction mechanism describing combustion processes in supercritical CO 2 medium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Source sector and region contributions to BC and PM 2.5 in Central Asia

Particulate matter (PM) mass concentrations, seasonal cycles, source sector, and source region contributions in Central Asia (CA) are analyzed for the period April 2008–July 2009 using the Sulfur Transport and dEposition Model (STEM) chemical transport model and modeled meteorology from the Weather Research and Forecasting (WRF) model. Predicted aerosol optical depth (AOD) values (annual mean value ~0.2) in CA vary seasonally, with lowest values in the winter. Surface PM 2.5 concentrations (annual mean value ~10 μg m -3 ) also exhibit a seasonal cycle, with peak values and largest variability in the spring/summer, and lowest values and variability in the winter (hourly values from 2 to 90 μg m -3 ). Surface concentrations of black carbon (BC) (mean value ~0.1 μg m -3 ) show peak values in the winter. The simulated values are compared to surface measurements of AOD as well as PM 2.5 , PM 10 , BC, and organic carbon (OC) mass concentrations at two regional sites in Kyrgyzstan (Lidar Station Teplokluchenka (LST) and Bishkek). The predicted values of AOD and PM mass concentrations and their seasonal cycles are fairly well captured. The carbonaceous aerosols are underpredicted in winter, and analysis suggests that the winter heating emissions are underestimated in the current inventory. Dust, from sources within and outside CA, is a significant component of the PM mass and drives the seasonal cycles of PM and AOD. On an annual basis, the power and industrial sectors are found to be the most important contributors to the anthropogenic portion of PM 2.5 . Residential combustion and transportation are shown to be the most important sectors for BC. Biomass burning within and outside the region also contributes to elevated PM and BC concentrations. The analysis of the transport pathways and the variations in particulate matter mass and composition in CA demonstrates that this region is strategically located to characterize regional and intercontinental transport of pollutants. Aerosols at these sites are shown to reflect dust, biomass burning, and anthropogenic sources from Europe; South, East, and Central Asia; and Russia depending on the time period. Simulations for a reference 2030 emission scenario based on pollution abatement measures already committed to in current legislation show that PM 2.5 and BC concentrations in the region increase, with BC growing more than PM 2.5 on a relative basis. This suggests that both the health impacts and the climate warming associated with these particles may increase over the next decades unless additional control measures are taken. The importance of observations in CA to help characterize the changes that are rapidly taking place in the region are discussed.

54 ENVIRONMENTAL SCIENCES↗

Virtual Power Plants: Pilots, Challenges, and Innovations Shaping Future Development

Virtual Power Plants (VPPs) aggregate distributed energy resources (DERs) to provide grid services traditionally delivered by centralized power plants. This article reviews the current state of VPP deployment, highlighting business models, compensation mechanisms, and global pilot projects. While VPPs offer benefits such as grid flexibility, resilience, and cost savings, challenges remain in communication infrastructure, regulatory frameworks, market access, and customer engagement. To address these, we propose a scalable, privacy-preserving hierarchical VPP architecture that coordinates with distribution utilities and preserves customer data. We also present the Integrated T&D Control Room of the Future as a key test bed for validating and accelerating VPP adoption. These innovations can help transition VPPs from pilot programs to integral components of a modern, reliable power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Capillography of Mats of Nanofibers

Capillography (from the Latin capillus, 'hair', and the Greek graphein, to write ) is a recently conceived technique for forming mats of nanofibers into useful patterns. The concept was inspired by experiments on carpetlike mats of multiwalled carbon nanotubes. Capillography may have the potential to be a less-expensive, less-time-consuming alternative to electron-beam lithography as a means of nanoscale patterning for the fabrication of small devices and instruments. In capillography, one exploits the lateral capillary forces exerted on small objects that pierce the surface of a liquid. If the small objects are identical, then the forces are always attractive. Two examples of the effects of such forces are the agglomeration of small particles floating on the surface of a pond and the drawing together of hairs of a wet paintbrush upon removal of the brush from water. Because nanoscale objects brought into contact remain stuck together indefinitely due to Van der Waals forces, patterns formed by capillography remain even upon removal of the liquid. For the experiments on the mats of carbon nanotubes, a surfactant solution capable of wetting carbon nanotubes (which are ultra-hydrophobic) was prepared. The mats were wetted with the solution, then dried. Once the mats were dry, it was found that the nanotubes had become ordered into various patterns, including nestlike indentations, trenches, and various combinations thereof. It may be possible to exploit such ordering effects through controlled wetting and drying of designated portions of mats of carbon nanotubes (and, perhaps, mats of nanofibers of other materials) to obtain patterns similar to those heretofore formed by use of electron-beam lithography. For making patterns that include nestlike indentations, it has been conjectured that it could be possible to control the nesting processes by use of electrostatic fields. Further research is needed to understand the physics of the patterning processes in order to develop capabilities to control patterns formed in capillography.

Noca, Flavio↗

Balloon Coating with Rapamycin Using an On-site Coating Device

Purpose. The efficacy of drug-eluting balloons has been demonstrated in clinical trials. The drug predominantly used is paclitaxel because of its lipophilic properties and the rapid onset of action. The aim of the investigation was to evaluate the feasibility and efficacy of an alternative balloon coating with rapamycin that can be applied on site.MethodsThe balloon coating (3.0/18 and 3.0/12 mm, Cathy No. 4, Translumina GmbH) with rapamycin was conducted with a coating machine (Translumina GmbH). Concentrations were 2, 2 Multiplication-Sign 2, 3, and 4 %. Measurements regarding the amount of substance released to the vessel wall were carried out on explanted porcine coronaries by means of ultraviolet and visible-light spectroscopy. Inflation time varied between 30 and 120 s. The biological effect of the coating was evaluated in a porcine peripheral overstretch and stent implantation model. Results. The amount of rapamycin on the balloon surface ranged from 558 {+-} 108 {mu}g for the 2 % solution to 1,441 {+-} 228 {mu}g in the 4 % solution. An amount of 95 {+-} 63-193 {+-} 113 {mu}g was released into the vessel wall. The quantitative measurements of the angiographic examinations 4 weeks after treatment revealed a reduction of diameter stenosis from 20.6 {+-} 17.4 % in the control group to 11.6 {+-} 5.5 % in the drug-eluting balloon group. Conclusion. A balloon coating with rapamycin omitting an excipient is possible with a dose-adjustable coating machine. However, the biological effects are moderate, which make further optimization of the coating process and evaluation of appropriate excipients necessary.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Growth kinetics of indium metal atoms on Si(1 1 2) surface

Graphical abstract: Controlled growth of indium atoms on Si(1 1 2) surface has been carried out systematically and the influence of substrate temperature on the kinetics is analysed under various growth conditions. Temperature induced anomalous layer-to-clusters transformation during thermal desorption has also been reported. - Highlights: • Controlled growth of indium atoms on Si(1 1 2) surface & their thermal stability. • Influence of substrate temperature on the kinetics under various growth conditions. • Temperature induced layer-to-clusters transformation during thermal desorption. - Abstract: The growth kinetics and desorption behavior of indium (In) atoms grown on high index Si(1 1 2) surface at different substrate temperatures has been studied. Auger electron spectroscopy analysis revealed that In growth at room temperature (RT) and high substrate temperature (HT) ∼250 °C follows Frank–van der Merve growth mode whereas at temperatures ≥450 °C, In growth evolves through Volmer–Weber growth mode. Thermal desorption studies of RT and 250 °C grown In/Si(1 1 2) systems show temperature induced rearrangement of In atoms over Si(1 1 2) surface leading to clusters to layer transformation. The monolayer and bilayer desorption energies for RT grown In/Si(1 1 2) system are calculated to be 2.5 eV and 1.52 eV, while for HT-250 °C the values are found to be 1.6 eV and 1.3 eV, respectively. This study demonstrates the effect of temperature on growth kinetics as well as on the multilayer/monolayer desorption pathway of In on Si(1 1 2) surface.

36 MATERIALS SCIENCE↗

Effect of Solvent and Substrate on the Surface Binding Mode of Carboxylate-Functionalized Aromatic Molecules

Here, the efficiency of dye-sensitized solar cells (DSSCs) is strongly influenced by dye molecule orientation and interactions with the substrate. Understanding the factors controlling the surface orientation of sensitizing organic molecules will aid in the improvement of both traditional DSSCs and other devices that integrate molecular linkers at interfaces. Here, we describe a general approach to understand relative dye–substrate orientation and provide analytical expressions predicting orientation. We consider the effects of substrate, solvent, and protonation state on dye molecule orientation. In the absence of solvent, our model predicts that most carboxylic acid-functionalized molecules prefer to lie flat (parallel) on the surface, due to van der Waals interactions, as opposed to a tilted orientation with respect to the surface that is favored by covalent bonding of the carboxylic acid group to the substrate. When solvation effects are considered, however, the molecules are predicted to orient perpendicular to the surface. We extend this approach to help understand and guide the orientation of metal–organic framework (MOF) thin-film growth on various metal–oxide substrates. A two-part analytical model is developed on the basis of the results of DFT calculations and ab initio MD simulations that predicts the binding energy of a molecule by chemical and dispersion forces on rutile and anatase TiO 2 surfaces, and quantifies the dye solvation energy for two solvents. The model is in good agreement with the DFT calculations and enables rapid prediction of dye molecule and MOF linker binding preference on the basis of the size of the adsorbing molecule, identity of the surface, and the solvent environment. We establish the threshold molecular size, governing dye molecule orientation, for each condition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spin-lattice entanglement in CoPS 3

Complex chalcogenides in the 𝑀⁢PS 3 family of materials (𝑀 =Mn, Fe, Co, and Ni) display remarkably different phase progressions depending upon the metal center orbital filling, character of the P–P linkage, and size of the van der Waals gap. There is also a stacking pattern and spin-state difference between the “lighter” and “heavier” transition-metal-containing systems that places CoPS 3 at the nexus of these activities. Despite these unique properties, this compound is underexplored. Here, we bring together Raman scattering spectroscopy and infrared absorption spectroscopy with x-ray techniques to identify a structural component to the 119 K magnetic ordering transition. With temperature-dependent Raman scattering, we discover a set of magnon-phonon pairs that engages in avoided crossings below 𝑇 Néel . Lastly, these findings point to strong spin-phonon entanglement as well as opportunities to control these effects under external stimuli.

Magnetism↗

Epidermal Electronics

We report classes of electronic systems that achieve thicknesses, effective elastic moduli, bending stiffnesses, and areal mass densities matched to the epidermis. Unlike traditional wafer-based technologies, laminating such devices onto the skin leads to conformal contact and adequate adhesion based on van der Waals interactions alone, in a manner that is mechanically invisible to the user. We describe systems incorporating electrophysiological, temperature, and strain sensors, as well as transistors, light-emitting diodes, photodetectors, radio frequency inductors, capacitors, oscillators, and rectifying diodes. Solar cells and wireless coils provide options for power supply. Furthermore, we used this type of technology to measure electrical activity produced by the heart, brain, and skeletal muscles and show that the resulting data contain sufficient information for an unusual type of computer game controller.

42 ENGINEERING↗