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At least 883 records · Page 49

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DOE OSTI2023

Cadmium Telluride Solar Cells: From Fundamental Science to Commercial Applications

In order to meet aggressive decarbonization goals, photovoltacs (PV) need to expand substantially. The current technology that heavily dominates the market, silicon (Si), comprises 95% of the world's PV production, is energy intensive to make, and can take up a substantial portion of the remaining carbon budget if expanded. Conversely, cadmium telluride (CdTe) comprises much of the remaining 5% of the global PV market and has a significantly lower carbon footprint than Si, historically costs less to produce, and is critically important to U.S. competitiveness in the global market. Importantly, CdTe still has room to grow, particularly related to efficiency because voltage has historically been much lower than what we calculate it should be. My research is focused in part on understanding this voltage deficit from a fundamental perspective by studying bulk materials and interfaces. One of the most important regions of the device is buried within the stack, so I developed a technique to cleave and reveal buried interfaces. This cleave technique has enabled a much better scientific understanding and allows us to make lightweight, flexible PV while maintaining low costs, high efficiency, and high throughput associated with standard module processing.

CdTe↗

DOE OSTI2022

Silicon Heterojunction Field Performance

The market share of silicon heterojunction (SHJ) modules are expected to increase in the following years. The presentation discusses field performance of SHJ and compares it to other high-efficiency modules. In-depth materials characterization is used to understand the origins of degradation in these type of modules.

ENGINEERING,SOLAR ENERGY↗

DOE OSTI2020

The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry

The core part of the program system COLUMBUS allows highly efficient calculations using variational multireference (MR) methods in the framework of configuration interaction with single and double excitations (MR-CISD) and averaged quadratic coupled-cluster calculations (MR-AQCC), based on uncontracted sets of configurations and the graphical unitary group approach (GUGA). The availability of analytic MR-CISD and MR-AQCC energy gradients and analytic nonadiabatic couplings for MR-CISD enables exciting applications including, e.g., investigations of π-conjugated biradicaloid compounds, calculations of multitudes of excited states, development of diabatization procedures, and furnishing the electronic structure information for on-the-fly surface nonadiabatic dynamics. With fully variational uncontracted spin-orbit MRCI, COLUMBUS provides a unique possibility of performing high-level calculations on compounds containing heavy atoms up to lanthanides and actinides. Crucial for carrying out all of these calculations effectively is the availability of an efficient parallel code for the CI step. Configuration spaces of several billion in size now can be treated quite routinely on standard parallel computer clusters. Emerging developments in COLUMBUS, including the all configuration mean energy multiconfiguration self-consistent field method and the graphically contracted function method, promise to allow practically unlimited configuration space dimensions. Spin density based on the GUGA approach, analytic spin-orbit energy gradients, possibilities for local electron correlation MR calculations, development of general interfaces for nonadiabatic dynamics, and MRCI linear vibronic coupling models conclude this overview.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Electrochemical recovery of Nd using liquid metals (Bi and Sn) in LiCl-KCl-NdCl 3

Highly efficient recovery of Nd into liquid metals of Bi and Sn was achieved in molten LiCl-KCl-NdCl 3 electrolyte at 773–973 K by leveraging the strong interactions of Nd with liquid metals. Based on the emf measurements of Nd-Sn and Nd-Bi alloys, the activity values of Nd were determined as low as 1.1–5.8×10 –13 in both liquid metals at 973 K while the solubility of Nd was found to be 1.46 mol% in Sn and 5.65 mol% in Bi. Both liquid metals demonstrated high round-trip coulombic efficiencies (>99.3%) during deposition-removal cycles of 10–50 mA cm –2 and high recovery capacity up to approximately 20 mol% Nd beyond the solubility limit. In addition, a high Nd recovery yield (84–90%) with respect to the applied charge was confirmed based on chemical analysis of electrolysis products in Bi after constant current electrolysis (–50 mA cm –2 ) at 873–973 K. Overpotentials during the Nd deposition process were attributed to charge-transfer and mass-transport resistances based on the current-potential curve and electrochemical impedance spectroscopy. The charge-transfer kinetics of Nd deposition into liquid metals was facile with high exchange current densities at ~220 mA cm –2 . Finally, the exceptionally high recovery efficiency for Nd in the molten chloride is thought to result from strong chemical interactions (i.e., low activity) of Nd in liquid metals that encourage one-step reduction, i.e., Nd 3+ + 3e → Nd(in Bi or Sn) by effectively suppressing side reaction pathways from multivalent states (Nd 2+ and Nd 3+ ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

A parallel and performance portable implementation of a full-field crystal plasticity model

We have developed a parallel implementation of an Elasto-Viscoplastic Fast Fourier Transform-based (EVPFFT) micromechanical solver to enable computationally efficient crystal plasticity modeling for polycrystalline materials. Our primary focus lies in achieving performance portability, allowing a single EVPFFT implementation to run optimally on various homogeneous architectures, including multi-core Central Processing Units (CPUs), as well as on heterogeneous computer architectures comprising multi-core CPUs and Graphics Processing Units (GPUs) from different vendors. To accomplish this goal, we have leveraged MATAR, a C++ software library that simplifies the creation and utilization of multidimensional dense or sparse matrix and array data structures. These data structures are designed to be portable across diverse architectures through the use of Kokkos, a performance-portable library. Additionally, we have employed the Message Passing Interface (MPI) to efficiently distribute the computational workload among processors. The heFFTe (Highly Efficient FFT for Exascale) library is used to facilitate the performance portability of the fast Fourier transforms (FFTs) computation. The computational performance of EVPFFT is evaluated and presented in terms of parallel scalability and simulation runtime on different high-performance computing (HPC) architectures. As a result, the utility of the developed framework to efficiently simulate the micro-mechanical fields in polycrystalline microstructures in engineering applications is discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Ductless Heat Pump Program

The Verde Ductless Heat Pump (DHP) Program expanded access to high-efficiency electric heating and cooling technologies for households in priority communities within the Portland Metro area. Funded by the U.S. Department of Energy’s Building Technologies Office (DE-EE0010132), the program combined residential ductless heat pump deployment with community-based outreach, participant support, contractor partnerships, and system development to improve program delivery.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Dean vortex-enhanced blood plasma separation in self-driven spiral microchannel flow with cross-flow microfilters

Point-of-care (POC) diagnostic devices have been developing rapidly in recent years, but they are mainly using saliva instead of blood as a test sample. A highly efficient self-separation during the self-driven flow without power systems is desired for expanding the point-of-care diagnostic devices. Microfiltration stands out as a promising technique for blood plasma separation but faces limitations due to blood cell clogging, resulting in reduced separation speed and efficiency. These limitations are mainly caused by the high viscosity and hematocrit in the blood flow. A small increment in the hematocrit of the blood significantly increases the pressure needed for the blood plasma separation in the micro-filters and decreases the separation speed and efficiency. Addressing this challenge, this study explores the feasibility of diluting whole blood within a microfluidic device without external power systems. This study implemented a spiral microchannel utilizing the inertial focusing and Dean vortex effects to focus the red blood cells and extract the blood with lower hematocrit. The inertial migration of the particles during the capillary flow was first investigated experimentally; a maximum of 88% of the particles migrated to the bottom and top equilibrium positions in the optimized 350 × 60 μm (cross-sectional area, 5.8 aspect ratio) microchannel. With the optimized dimension of the microchannel, the whole blood samples within the physiological hematocrit range were tested in the experiments, and more than 10% of the hematocrit reduction was compared between the outer branch outlet and inner branch outlet in the 350 × 60 μm microchannel.

Biochemistry & Molecular Biology↗

DOE OSTI2025

Magnetic Switching in Monolayer 2D Diluted Magnetic Semiconductors via Spin‐to‐Spin Conversion

Abstract The integration of 2D van der Waals (vdW) magnets with topological insulators or heavy metals holds great potential for realizing next‐generation spintronic memory devices. However, achieving high‐efficiency spin–orbit torque (SOT) switching of monolayer vdW magnets at room temperature poses a significant challenge, particularly without an external magnetic field. Here, it is shown field‐free, deterministic, and nonvolatile SOT switching of perpendicular magnetization in the monolayer, diluted magnetic semiconductor (DMS), Fe‐doped MoS 2 (Fe:MoS 2 ) at up to 380 K with a current density of ≈7 × 10 4 A cm −2 . The in situ doping of Fe into monolayer MoS 2 via chemical vapor deposition and the geometry‐induced strain in the crystal break the rotational switching symmetry in Fe:MoS 2 , promoting field‐free SOT switching by generating out‐of‐plane spins via spin‐to‐spin conversion. An apparent anomalous Hall effect (AHE) loop shift at a zero in‐plane magnetic field verifies the existence of z spins in Fe:MoS 2 , inducing an antidamping‐like torque that facilitates field‐free SOT switching. This field‐free SOT application using a 2D ferromagnetic monolayer provides a new pathway for developing highly power‐efficient spintronic memory devices.

Chen, Siwei [Department of Mechanical Engineering ↗

DOE OSTI2021

An efficient and durable anode for ammonia protonic ceramic fuel cells

Ammonia protonic ceramic fuel cells (PCFCs) have the potential to be a highly efficient power source with high energy density. However, the inadequate catalytic activity of the existing anodes for utilization of ammonia greatly limits the performance of PCFCs. In this study, we report an Fe-modified state-of-the-art Ni cermet anode with greatly enhanced activity and durability toward utilization of ammonia. Cells with an Fe-decorated Ni-BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3 (Ni–BZCYYb) anode demonstrate an excellent performance, achieving peak power densities of 0.360, 0.723, 1.257, and 1.609 W cm –2 at 550, 600, 650, and 700 °C, respectively, which reveal the highest performance of solid oxide fuel cells fueled on ammonia. In addition, the cells show an excellent durability when operated at a constant current density of 0.5 A cm –2 (or a power density of ~0.435 W cm –2 ) at 650 °C. The superior activity and durability of the Fe-modified Ni/BZCYYb anode are attributed to the alternation of NH 3 adsorption strength and N 2 desorption barrier heights, as confirmed by first-principles based mechanistic and microkinetic modeling. Our research provides a valuable guidance for the development of efficient electro-catalysts for ammonia PCFCs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

All-in-one bipolar electrode: A new concept for compact and efficient water electrolyzers

Highly compact and efficient proton exchange membrane electrolyzer cells (PEMECs) are strongly desired for commercializing hydrogen production. Here, a novel concept of all-in-one bipolar electrode (AIOBE) is proposed for high-efficiency and compact PEMECs with the help of 3D printing and sputtering coating. AIOBE ideally integrated catalyst layer (CL)/gas diffusion layer/bipolar plate/current distributor/gasket, which significantly reduced component quantity on the cathode side of PEMECs from 5 to 1, cut down on part weight and volume, and drastically accelerated the fabrication and maintenance processes. Moreover, AIOBE with the micro-scale flat surface and nano-scale rough CL provided an ultralow ohmic resistance (~100 mOhm cm 2 ) and a high catalyst utilization. Finally, AIOBE delivered a practical voltage of 1.62 V and a high energy efficiency of 91% at 1000 mA/cm 2 , and its mass activity (4.48 A/mg Pt ) was 14 times higher than conventional PEMECs. In conclusion, this work provides a new route for developing highly compact electrochemical devices, such as fuel cells, electrolyzers for N 2 reduction and CO 2 conversion, and many more.

3D printing↗

DOE OSTI2021

Effects of red imported fire ant ( Solenopsis invicta ) control on carrion use by vertebrate scavengers

Carrion is an important resource, and competition for carrion by microbial, invertebrate, and vertebrate scavenging communities is great. In particular, carrion is important to facultative and obligate vertebrate scavengers globally, and these species provide an irreplaceable ecological service by efficiently removing carcasses, which potentially harbor pathogens, from the environment. Although vertebrates efficiently acquire carcasses, they compete intensively with invertebrate and microbial communities, especially during warmer months when invertebrate and microbial activity peaks. The presence of invasive invertebrates may further exacerbate competition among scavenging groups; however, little is known about how invasive invertebrates can influence invertebrate scavenger dynamics and ultimately competition with vertebrate scavengers. The red imported fire ant (Solenopsis invicta; RIFA) is an invasive species of particular interest in North America, as it is a dominant predator and decomposer throughout much their range. We hypothesized that in areas where abundant, RIFA can outcompete vertebrates for carrion resources, altering nutrient cycling and food web dynamics. We tested this hypothesis by experimentally excluding RIFA from rabbit carcasses and found strong seasonal effects in our data; however, surprisingly, we found no effect of RIFA control on vertebrate scavenging efficiency, rates of carcass detection, carcass persistence, or the richness of local scavengers. Rather, we observed a highly efficient vertebrate scavenging community that assimilated 87.4% of carcasses during our study. Furthermore, this high rate of vertebrate scavenging efficiency was maintained in both control (93.0%) and RIFA treatment (81.8%) sites, suggesting presence of abundant RIFA populations did not limit vertebrate acquisition of carrion. Future research should focus on the interactions of RIFA with the remaining invertebrate scavenging community to further investigate whether RIFA impact the assimilation of carrion resources within invertebrate communities.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Modeling and Analysis of a Heat Pump Clothes Dryer with Thermal Energy Storage

Clothes drying is an energy-intensive process that causes significant electricity consumption and carbon emissions in the US. Approximately 83% of Households in the US own a tumble clothes dryer at home and 80% of dryers are electrical resistance dryers with low energy efficiency. Heat pump technology makes it possible for highly efficient and clean drying. Additionally, the ventless design of heat pump clothes dryers (HPCD) provides more installation flexibility. HPCD involves three primary mediums: wet clothes, a closed air loop, and a refrigerant circuit. The evaporator is used to dehumidify the wet air and the condenser is used to re-heat the dry air. One of the critical technological barriers to HPCD market penetration is its long drying time, primarily due to the relatively low discharging temperature and the slow response during the warm-up period. In this study, the thermal energy storage (TES) technology is adopted to address this challenge by providing pre-heating of air prior to the condenser to increase the operating temperature of the process air. The heat pump will charge the phase change material (PCM) in the TES device with heating energy during clothes washing and the PCM will discharge the stored heat to facilitate air heating during clothes drying. To analyze the optimal design and potential for energy saving and drying time reduction, a mathematical model of the HPCD system was developed. The HPCD is a highly dynamic system with a coupled heat and mass transfer and heat pumping cycle. This paper provides solutions to simulate the transient behavior of the system while maintaining low computational cost. The modeling result indicates reduced energy consumption and drying time by integrating TES with HPCD, as compared to electrical resistance dryers. The study can provide significant insights into improving building flexibility with TES and smart appliances.

Liu, Xiaoli↗

DOE OSTI2020

Spontaneously supersaturated nucleation strategy for high reproducible and efficient perovskite solar cells

High-quality perovskite films are predominantly prepared by anti-solvent assisted spin-coating method. How- ever, small device size and narrow operation window limit their applications in practical and scalable production. Here, a spontaneously supersaturated nucleation strategy is developed to fabricate high-quality perovskite films without any antisolvents. The rapid precipitation behavior of the precursor solutions could be triggered by the volatilization of methylamine ethanol at the initial film formation stage, forming uniform and compact intermediate phase films. Mirror-like large area (10 cm × 10 cm) methylammonium lead triiodide (MAPbI 3 ) perovskite films with micrometer-sized grains can be achieved by phase transition via annealing. The average power conversion efficiency (PCE) of 19.4% is achieved for 0.1 cm 2 perovskite solar cells (PSCs). The 1 cm 2 device shows a PCE of 17.57% and retains 96.8% after aging for 39 days in the air with a relative humidity of 5–30%. The perovskite module based on the perovskite films prepared by our strategy exhibits a PCE of 13.13%. Here, the perovskite film fabrication method developed in this work shows high reproducibility of the fabrication process due to the spontaneous nucleation process. Meanwhile, it also exhibits significant potential in the application of scalable solution processing deposition techniques toward the commercialization of PSCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Developing Stable Critical Materials and Microstructure for High-Flux and Efficient Hydrogen Production through Reversible Solid Oxide Cells

Reversible Solid Oxide Cells (RSOCs), which operate as either Solid Oxide Fuel Cells (SOFCs) or Solid Oxide Electrolytic Cells (SOECs), hold great promise for clean, high-efficiency energy conversion and hydrogen production. However, their commercial potential is hindered by stability issues arising from temperature-induced materials degradation. While substantial progress has been made in developing durable, reduced-temperature SOFCs - bringing them closer to commercial deployment, SOECs still exhibit substantially higher degradation rates at both the cell and stack levels under practical operating conditions.

08 HYDROGEN↗

DOE OSTI2025

Bio‐Inspired Cascade Photocatalysis on Fe Single‐Atom Carbon Nitride Upcycles Plastic Wastes for Effective Acetic Acid Production

Plastic imposes a critical threat to the environment, ecosystems, and human health because of the low utilization efficiency of plastics. Here, we demonstrate a sustainable, highly efficient cascade photocatalysis for upcycle plastics to value-added acetic acid using Fe single-atom catalysts (Fe@C 3 N 4 SAC) at ambient conditions. Inspired by Phanerochaete chrysosporium microbial, the defective Fe@C 3 N 4 SAC acts as a bifunctional cascade photocatalyst for both Fenton-like and CO 2 reduction reactions. During the reaction, hydroxyl radicals (*OH) form and subsequently oxidize plastics into CO 2 intermediates. These CO 2 intermediates are then photo-reduced to CH 3 COOH on the same catalyst via cascade photocatalysis. The mechanism is confirmed by in situ multimodal microscopy and spectroscopies, with density functional theory calculations. A state-of-art CH 3 COOH yield of 63.8 mg h −1 gcat −1 from PVC, 12.7 mg h −1 gcat −1 from PE, 5.4 mg h −1 gcat −1 from PET, and 5.3 mg h −1 gcat −1 from PP are directly obtained under AM1.5G solar irradiation and further validated under real sunlight (≈0.6 sun), achieving 5.6 mg h −1 gcat −1 from PET, using low-cost Fe@C 3 N 4 SAC in a sealed reactor by enhancing the photon transport and utilization efficiency. The techno-economic analysis shows it is promising to practically mitigate plastic based on broader social welfare assessments.

cascade photocatalysis↗

DOE OSTI2023

Rational design of septenary high-entropy alloy for direct ethanol fuel cells

Promoting C–C bond cleavage of ethanol by a complete 12-electron (12e) ethanol oxidation reaction (EOR) is a grand challenge for the development of highly efficient direct ethanol fuel cells (DEFCs). Most state-of-the-art catalysts only implement the EOR in an incomplete 4e or 2e pathway because of the poisoning of the catalysts by strongly adsorbed CO, leading to the poor output performance and low cell efficiency of DEFCs. Herein, a septenary PtPdFeCoNiSnMn high-entropy alloy (PtPd HEA) with a PtPd-rich surface but super-low platinum group metals loading was developed. We identified and proved the functions of each element in the PtPd HEA. The DEFCs assembled with the PtPd HEA (0.12 mg PtPd ∙cm -2 ) achieved a maximum power density of 0.72 W cm -2 and a durable operation for 1,200 h, which outperforms state-of-the-art catalysts for DEFCs. This work will be a design principle for nanostructured alloy development for renewable energy and sustainability applications.

25 ENERGY STORAGE↗

DOE OSTI2026

>24% screen printed Cu contacted n-TOPCon solar cells with successful implementation of LECO process

In this paper, we report the successful fabrication of >24.0 % efficiency n-TOPCon Si solar cells with screen-printed, fire-through Cu contact to n-TOPCon on the rear side and Ag contacted boron emitter on the front side by implementing optimized firing and LECO conditions. The highest efficiency (24.3%) Cu contacted n-TOPCon cell in this study showed excellent cell performance parameters with V oc >730 mV, J sc of 41.1 mA/cm 2 and FF of 80.8%, resulting in an absolute efficiency gap of 0.2% between Cu-contacted and fully Ag contacted n-TOPCon cells (24.5%). The mini-module fabricated with the Cu contacted n-TOPCon cell showed excellent reliability and durability of open-circuit voltage (V oc ), pseudo fill factor (pFF) and efficiency after prolonged damp-heat tests. Such high efficiency screen printed Cu contacted n-TOPCon cells provide unique opportunity to replace very expensive Ag contact on n-TOPCon with cheaper screen printable Cu metal pastes.

14 SOLAR ENERGY↗

DOE OSTI2021

Continuous Fly-Through High-Temperature Synthesis of Nanocatalysts

Conventional thermal treatment system, such as muffle and tube furnaces, typically feature low ramping and cooling rates, which lead to steep thermal gradients during bulk material synthesis that generate inefficient, non-uniform reaction conditions and result in nanoparticle aggregation. Herein, we demonstrate a continuous fly-through material synthesis approach using a novel high-temperature reactor design based on the emerging thermal-shock technology. By facing two sheets of carbon paper with a small distance apart (1–3 mm), we are able to generate uniform, ultra-high temperatures that can reach up to 3200 K within 50 ms by simply applying a voltage of 15 V. We can control this high-temperature to enable ultrafast chemical reactions by continuously feeding raw materials through the device from one end to the other, allowing the final products to be rapidly collected. As a proof-of-concept demonstration, we synthesized Pt nanocatalysts ~4 nm in size anchored to carbon black via this fly-through high-temperature reactor at ~1400 K. Furthermore, we find these supported Pt nanoparticles feature excellent electrocatalytic activities toward methanol oxidation reaction. Compared to existing heating methods, this continuous fly-through high temperature reactor offers a new and highly efficient platform for the synthesis of nanomaterials at high temperatures.

Qiao, Yun↗