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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.

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At least 55 records · Page 3

Pairing Correlations across the Superfluid Phase Transition in the Unitary Fermi Gas

In the two-component Fermi gas with a contact interaction, a pseudogap regime can exist at temperatures between the superfluid critical temperature $T_c$ and a temperature $T^\ast > T_c$. This regime is characterized by pairing correlations without superfluidity. However, in the unitary limit of infinite scattering length, the existence of this regime is still debated. To help address this, we have applied finite-temperature auxiliary-field quantum Monte Carlo (AFMC) methods to study the thermodynamics of the superfluid phase transition and signatures of the pseudogap in the spin-balanced homogeneous unitary Fermi gas. We present results at finite filling factor $\textit{ν}$ ≃ 0.06 for the condensate fraction, an energy-staggering pairing gap, the spin susceptibility, and the heat capacity, and compare them to experimental data when available. In contrast to previous AFMC simulations, our model space consists of the complete first Brillouin zone of the lattice, and our calculations are performed in the canonical ensemble of fixed particle number. The canonical ensemble AFMC framework enables the calculation of a model-independent gap, providing direct information on pairing correlations without the need for numerical analytic continuation. We use finite-size scaling to estimate $T_c$ at the corresponding filling factor. In this work, we find that the energy-staggering pairing gap vanishes above $T_c$, showing no pseudogap effects, and that the spin susceptibility shows a substantially reduced signature of a spin gap compared to previously reported AFMC simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Improvement of screen-printable metallization paste for low-cost silicon solar cells utilizing silver coated copper powders

This aims of this project were to develop low-cost screen-printable Ag|Cu metallization, as alternative to Ag paste, for contacting PERC solar cells with transparent emitter for high performance and reliability. The intended goal was to achieve 81% fill factor with a screen-printable Ag|Cu paste alternative. This was attempted through a three strand approach including Ag|Cu formulation by SVMT, production using cavitation technology by ACI and contact formation through the understanding of (i) the liquid phase sintering of the nano/macro particles of Ag|Cu to achieve bulk metal with very low series resistance, (ii) optimization of contact firing to avoid penetration of Cu into the silicon bulk, and finally (iii) proper analysis to quantify the contributions of each resistance component and keep the total series resistance at 0.2 Ω-cm2, which would result in high fill factor of 81% by UNC Charlotte. The objectives also involved i) the implementation of glass frit with Cu metal that will etch through the ARC for low contact resistance and adhesion, ii) development of Ag|Cu pastes with the optimized glass frit, iii) investigation of the impact of Cu particle size, morphology and loading on the gridline resistance, iv) narrow gridline screen designs along with narrow gridline prints, v) development of fast belt speeds of up to 375 inches per minute (ipm) sintering, and vi) stability study on Ag|Cu contact to high performance and reliability.

14 SOLAR ENERGY↗

Scattering of Magnons at Graphene Quantum-Hall-Magnet Junctions

Motivated by recent nonlocal transport studies of quantum-Hall-magnet (QHM) states formed in monolayer graphene’s N = 0 Landau level, here we study the scattering of QHM magnons by gate-controlled junctions between states with different integer filling factors ν . For the ν = 1 | – 1 | 1 geometry we find that magnons are weakly scattered by electric potential variation in the junction region, and that the scattering is chiral when the junction lacks a mirror symmetry. For the ν = 1 | 0 | 1 geometry, we find that kinematic constraints completely block magnon transmission if the incident angle exceeds a critical value. Our results explain the suppressed nonlocal–voltage signals observed in the ν = 1 | 0 | 1 case. We use our theory to propose that valley waves generated at ν = – 1 | 1 junctions and magnons can be used in combination to probe the spin or valley flavor structure of QHM states at integer and fractional filling factors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Radiation Hardened Engineered Substrates for Time and Space Resolution

Low Gain Avalanche Diodes (LGADs) have become sensors of choice for fast timing of minimum ionizing particles. The current generation of these devices suffer from only moderate radiation hardness, low fill factor, and limited design options. Cactus Materials Inc. proposes to develop sensors with gain layer implants buried beneath the surface which will, with AC coupling developed by Brookhaven National Laboratory (BNL) and University of California Santa Cruz (UC Santa Cruz) solve these problems. Fermilab has a major role in the CMS timing upgrade using the current generation of LGADs and development of AC-coupled, buried layer LGADs will solve some of the central problems inherent in this technology. Annex B included a two-year work plan, deliverables, schedule and funding for the project’s SBIR Phase II award to develop and test prototype LGADs utilizing wafer bonding technology and epitaxial growth, that will allow for fabrication of radiation hard AC coupled devices with 100% fill factor and adjustable operating point.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Cu-Local Structures and Their Relation with Nanoscale Electrical Performance in CdTe

For decades, copper has been introduced in CdTe devices to improve overall performance (open circuit voltage, fill factor, and series resistance). While multiple articles have reported on Cu-based defects, very little is known about how the local structure around the copper atom affects electrical performance. Using X-ray Absorption Near Edge Structure (XANES) coupled with X-ray microscopy we investigate good and poor performing region in Cu-doped CdTe devices. Our XANES coupled with theoretical standards by FEFF9 suggest that CU 2 Te phase and Cu Cd may be responsible for the high electrical performance of the regions under study. This correlation of structure-performance at the nanoscale offers a unique framework to understand and tune processes with deep implications to the overall electrical performance of the solar cell.

CdTe↗

High Performing Inverted Flexible Perovskite Solar Cells via Solution Phase Deposition of Yttrium-Doped SnO 2 Directly on Perovskite

Solution processing of flexible perovskite solar cells (f-PSCs) provides an avenue for scalable, high-throughput printing of lightweight, scalable, and cost-effective flexible solar cells. However, the deposition of fully solution-processed metal oxide charge transport layers on perovskites has been limited by solvent incompatibilities and high processing temperatures for metal oxide nanoparticles. In this study, we present high-performance, inverted f-PSCs from the direct deposition of yttrium doped SnO 2 nanoparticles functionalized with acetate on top of perovskite as an ink in anhydrous ethanol via blade coating. Yttrium doping improved device performance by improving the charge extraction leading with a decreased series resistance leading to improvements in the open-circuit voltage and fill factor. Furthermore, the champion power conversion efficiency for 0.1 cm 2 devices increased from 14.3% for undoped SnO 2 to 18.2% with 2% Y:SnO 2 doping, which is unprecedented for f-PSCs on ITO-PET substrate employing SnO 2 as an ETL.

14 SOLAR ENERGY↗

Metastability and Degradation of CdTe Solar Cells Investigated by nm-Scale Electrical Potential Imaging

We report on investigations of reversible metastability and irreversible degradation of MZO/CdSeTe/CdTe devices from the perspective of electric field across the device using Kelvin probe force microscopy (KPFM). The device showed reversible transitions between the light-soak state (LSS) with the best device efficiency and the dark-soak state (DSS) with an inferior efficiency. However, it showed an irreversible degradation state (DgS) driven by long-hour light soaking at an elevated temperature. The nm-scale KPFM electric field imaging on cross-sections of the devices revealed different anomalous electric field profiles. The electric field at the LSS exhibits a main peak inside the CdSeTe layer but not at the MZO/CdSeTe heterointerface, demonstrating that working junction of the device is a buried homojunction (BHJ). At the DSS, a second electric field peak was observed at the MZO/CdSeTe interface with a similar strength to the main BHJ, which probably caused the decrease in fill factor at the DSS. At the DgS, the electric field peak at the MZO/CdSeTe interface increased significantly and a third electric field was measured at the back contact of the device. Device modeling using COMSOL and in alignment with both the electric field and device current-voltage curves suggest that a slightly low n-doped CdSeTe in the region near the MZO/CdSeTe interface caused the BHJ, and that either a loss of MZO doping or increase of the conduction band offset spike due to long-term stress caused the fill factor-dominated degradation and the increased electric field near the MZO/CdSeTe interface at the DgS. The former, MZO doping decrease, is more plausible by referring the related literature.

BHJ↗

Operando Microscopy Characterization of Perovskite Solar Cells

In this work, we developed operando Kelvin probe force microscopy (KPFM) to study the electrostatic potential distribution across perovskite cells under light and forward bias to gain a deeper understanding of device operation physics. As a case study, we selected perovskite cells with a SnO 2 -based electron-selective layer (ESL), which showed great potential for fabricating high-efficiency, hysteresis-free devices due to the deeper conduction band and higher electron mobility of SnO 2 . The as-made device showed a main junction at the perovskite/spiro interface. After light soaking and applying forward bias, the junction quality improved, possibly explained by filling trap states at the interfaces and by the perovskite absorber perhaps having a self-poling effect; the main junction is observed at the ESL/perovskite interface. The results are consistent with current-voltage measurements, device performance improves mainly with fill factor enhancement. The operando KPFM results should more closely reflect the real case during current density-voltage measurements or solar cell operation. The operando KPFM technique that we have developed can be a powerful tool to provide a deeper understanding of the device operation mechanism and to further optimize the device.

14 SOLAR ENERGY↗

Interfacial Connections between Organic Perovskite/n + Silicon/Catalyst that Allow Integration of Solar Cell and Catalyst for Hydrogen Evolution from Water

Abstract The rapidly increasing solar conversion efficiency (PCE) of hybrid organic–inorganic perovskite (HOIP) thin‐film semiconductors has triggered interest in their use for direct solar‐driven water splitting to produce hydrogen. However, application of these low‐cost, electronic‐structure‐tunable HOIP tandem photoabsorbers has been hindered by the instability of the photovoltaic‐catalyst‐electrolyte (PV+E) interfaces. Here, photolytic water splitting is demonstrated using an integrated configuration consisting of an HOIP/n + silicon single junction photoabsorber and a platinum (Pt) thin film catalyst. An extended electrochemical (EC) lifetime in alkaline media is achieved using titanium nitride on both sides of the Si support to eliminate formation of insulating silicon oxide, and as an effective diffusion barrier to allow high‐temperature annealing of the catalyst/TiO 2 ‐protected‐n + silicon interface necessary to retard electrolytic corrosion. Halide composition is examined in the (FA 1‐x Cs x )PbI 3 system with a bandgap suitable for tandem operation. A fill factor of 72.5% is achieved using a Spiro‐OMeTAD‐hole‐transport‐layer (HTL)‐based HOIP/n + Si solar cell, and a high photocurrent density of −15.9 mA cm −2 (at 0 V vs reversible hydrogen electrode) is attained for the HOIP/n + Si/Pt photocathode in 1 m NaOH under simulated 1‐sun illumination. While this thin‐film design creates stable interfaces, the intrinsic photo‐ and electro‐degradation of the HOIP photoabsorber remains the main obstacle for future HOIP/Si tandem PEC devices.

08 HYDROGEN↗

Simulation of double buffer layer on CIGS solar cell with SCAPS software

In a CIGS thin film solar cell, the buffer layer is interposed between the absorber layer and the window layer, which plays an important role in interface electricity. CdS is often used as a buffer layer in CIGS cells. Beside the toxicity of Cd, the main drawback of CdS is its relatively narrow band gap (2.4 eV), which can lead to the current loss due to parasitic absorption. In order to reduce the use of CdS, we try other buffer layers instead of CdS and optimize buffer layer structure. Numerical simulation has been used to explore the effect of different buffer layer materials (CdS and ZnSe) on the performance of CuInGaSe{sub 2} solar cells with SCAPS-1D software. The main photovoltaic parameters of the analog device: open circuit voltage, short circuit current density, fill factor and conversion efficiency (η) were compared and analyzed. The results show that different buffer materials and thickness have great influence on the performance of the cell. In this simulation, CdS buffer layer was replaced by ZnSe material, which has a wider band gap. However, the efficiency of this kind of cell is lower than that of CIGS device with CdS buffer layer because of the bad energy band alignment. In order to improve the short-wave absorption and the efficiency of CIGS cell, we simulated a novel CdS/ZnSe double buffer layer structure. The efficiency of the optimized cell with double buffer layer increases from 18.47% (conventional cell with the same CdS buffer layer thickness) to 19.01%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Direct observation of a magnetic-field-induced Wigner crystal

Wigner predicted that when the Coulomb interactions between electrons become much stronger than their kinetic energy, electrons crystallize into a closely packed lattice. A variety of two-dimensional systems have shown evidence for Wigner crystals (WCs). However, a spontaneously formed classical or quantum WC has never been directly visualized. Neither the identification of the WC symmetry nor direct investigation of its melting has been accomplished. Here we use high-resolution scanning tunnelling microscopy measurements to directly image a magnetic-field-induced electron WC in Bernal-stacked bilayer graphene and examine its structural properties as a function of electron density, magnetic field and temperature. At high fields and the lowest temperature, we observe a triangular lattice electron WC in the lowest Landau level. The WC possesses the expected lattice constant and is robust between filling factor ν ≈ 0.13 and ν ≈ 0.38 except near fillings where it competes with fractional quantum Hall states. Increasing the density or temperature results in the melting of the WC into a liquid phase that is isotropic but has a modulated structure characterized by the Bragg wavevector of the WC. At low magnetic fields, the WC unexpectedly transitions into an anisotropic stripe phase, which has been commonly anticipated to form in higher Landau levels. Furthermore, analysis of individual lattice sites shows signatures that may be related to the quantum zero-point motion of electrons in the WC lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Promotion of superconductivity in magic-angle graphene multilayers

Graphene moiré superlattices show an abundance of correlated insulating, topological, and superconducting phases. Whereas the origins of strong correlations and nontrivial topology can be directly linked to flat bands, the nature of superconductivity remains enigmatic. We demonstrate that magic-angle devices made of twisted tri-, quadri-, and pentalayer graphene placed on monolayer tungsten diselenide exhibit flavor polarization and superconductivity. We also observe insulating states in the tril- and quadrilayer arising at finite electric displacement fields. As the number of layers increases, superconductivity emerges over an enhanced filling-factor range, and in the pentalayer it extends well beyond the filling of four electrons per moiré unit cell. Our results highlight the role of the interplay between flat and more dispersive bands in extending superconducting regions in graphene moiré superlattices.

Science & Technology - Other Topics↗

Correlating Electronic Structure and Device Physics with Mixing Region Morphology in High-Efficiency Organic Solar Cells

The donor/acceptor interaction in non-fullerene organic photovoltaics leads to the mixing domain that dictates the morphology and electronic structure of the blended thin film. Initiative effort is paid to understand how these domain properties affect the device performances on high-efficiency PM6:Y6 blends. Different fullerenes acceptors are used to manipulate the feature of mixing domain. It is seen that a tight packing in the mixing region is critical, which could effectively enhance the hole transfer and lead to the enlarged and narrow electron density of state (DOS). As a result, short-circuit current (J SC ) and fill factor (FF) are improved. The distribution of DOS and energy levels strongly influences open-circuit voltage (V OC ). The raised filling state of electron Fermi level is seen to be key in determining device V OC . Energy disorder is found to be a key factor to energy loss, which is highly correlated with the intermolecular distance in the mixing region. A 17.53% efficiency is obtained for optimized ternary devices, which is the highest value for similar systems. The current results indicate that a delicate optimization of the mixing domain property is an effective route to improve the V OC , J SC , and FF simultaneously, which provides new guidelines for morphology control toward high-performance organic solar cells.

36 MATERIALS SCIENCE↗

Observation of Reentrant Correlated Insulators and Interaction-Driven Fermi-Surface Reconstructions at One Magnetic Flux Quantum per Moiré Unit Cell in Magic-Angle Twisted Bilayer Graphene

The discovery of flat bands with nontrivial band topology in magic-angle twisted bilayer graphene (MATBG) has provided a unique platform to study strongly correlated phenomena including superconductivity, correlated insulators, Chern insulators, and magnetism. A fundamental feature of the MATBG, so far unexplored, is its high magnetic field Hofstadter spectrum. Here, we report on a detailed magnetotransport study of a MATBG device in external magnetic fields of up to B = 3 1 T , corresponding to one magnetic flux quantum per moiré unit cell Φ 0 . At Φ 0 , we observe reentrant correlated insulators at a flat band filling factors of ν = + 2 and of ν = + 3 , and interaction-driven Fermi-surface reconstructions at other fillings, which are identified by new sets of Landau levels originating from these. These experimental observations are supplemented by theoretical work that predicts a new set of eight well-isolated flat bands at Φ 0 , of comparable band width, but with different topology than in zero field. Overall, our magnetotransport data reveal a qualitatively new Hofstadter spectrum in MATBG, which arises due to the strong electronic correlations in the reentrant flat bands.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

State and Regional Variation in Prescription- and Payment-Related Promoters of Adherence to Blood Pressure Medication

Introduction: Medication adherence can improve hypertension management. How blood pressure medications are prescribed and purchased can promote or impede adherence. Methods: We used comprehensive dispensing data on prescription blood pressure medication from Symphony Health’s 2017 Integrated Dataverse to assess how prescription- and payment-related factors that promote medication adherence (ie, fixed-dose combinations, generic formulations, mail order, low-cost or no-copay medications) vary across US states and census regions and across the market segments (grouped by patient age, prescriber type, and payer type) responsible for the greatest number of blood pressure medication fills. Results: In 2017, 706.5 million prescriptions for blood pressure medication were filled, accounting for $29.0 billion in total spending (17.0% incurred by patients). As a proportion of all fills, factors that promoted adherence varied by state: fixed-dose combinations (from 5.8% in Maine to 17.9% in Mississippi); generic formulations (from 95.2% in New Jersey to 98.4% in Minnesota); mail order (from 4.7% in Rhode Island to 14.5% in Delaware); and lower or no copayment (from 56.6% in Utah to 72.8% in California). Furthermore, mean days’ supply per fill (from 43.1 in Arkansas to 63.8 in Maine) and patient spending per therapy year (from $38 in Hawaii to $76 in Georgia) varied. Concentration of adherence factors differed by market segment. Patients aged 18 to 64 with a primary care physician prescriber and Medicaid coverage had the lowest concentration of fixed-dose combination fills, mean days’ supply per fill, and patient spending per therapy year. Patients aged 65 years or older with a primary care physician prescriber and commercial insurance had the highest concentration of fixeddose combinations fills and mail order fills. Conclusion: Addressing regional and market segment variation in factors promoting blood pressure medication adherence may increase adherence and improve hypertension management.

60 APPLIED LIFE SCIENCES↗

Unconventional Fractional Phases in Multiband Vortexable Systems

We study topological flat bands with distinct features that deviate from conventional Landau level behavior. We show that even in the ideal quantum geometry limit, moiré flat band systems can exhibit physical phenomena fundamentally different from Landau levels without lattices. In particular, we find new fractional quantum Hall states emerging from multiband vortexable systems, where multiple exactly flat bands appear at the Fermi energy. While the set of bands as a whole exhibits ideal quantum geometry, individual bands separately lose vortexability, and thus making them very different from a stack of Landau levels. At certain filling fractions, we find fractional states whose Hall conductivity deviates from the filling factor. Through careful numerical and analytical studies, we rule out all known mechanisms—such as fractional quantum Hall crystals or separate filling of trivial and topological bands—as possible explanations. Leveraging the exact solvability of vortexable systems, we use analytic Bloch wave functions to uncover the origin of these new fractional states, which arises from the commensurability between the moiré unit cell and the magnetic unit cell of an emergent effective magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Kondo effect and its destruction in heterobilayer transition metal dichalcogenides

Moiré structures, along with line-graph-based d -electron systems, represent a setting to realize flat bands. One form of the associated strong correlation physics is the Kondo effect. Here, we address the recently observed Kondo-driven heavy fermion state and its destruction in AB-stacked hetero-bilayer transition metal dichalcogenides, which can be controlled by the gate voltages. By studying an effective interacting Hamiltonian using the slave spin approach, we obtained a phase diagram with the total filling factor and the displacement field strength as the tunable parameters. In an extended range of the tunable displacement field, our numerical results show that the relative filling of the d orbital, which is associated with the highest moiré band from the MoTe 2 layer, is enforced to be ν d ≈ 1 by the interaction. This agrees with the experimental observation. We also argue that the observed high coherence temperature scale could be explained by the non-negligible bandwidth of the d orbital. Our results set the stage to address the amplified quantum fluctuations that the Kondo effect may produce in these structures and new regimes that the systems open up for Kondo-destruction quantum criticality. Published by the American Physical Society 2024

Xie, Fang (ORCID:000000021327767X)↗

Thermal and Quantum Melting Phase Diagrams for a Magnetic-Field-Induced Wigner Solid

A sufficiently large perpendicular magnetic field quenches the kinetic (Fermi) energy of an interacting two-dimensional (2D) system of fermions, making them susceptible to the formation of a Wigner solid (WS) phase in which the charged carriers organize themselves in a periodic array in order to minimize their Coulomb repulsion energy. In low-disorder 2D electron systems confined to modulation-doped GaAs heterostructures, signatures of a magnetic-field-induced WS appear at low temperatures and very small Landau level filling factors ($\textit{ν}$ ≃ 1/5). In dilute GaAs 2D hole systems, on the other hand, thanks to the larger hole effective mass and the ensuing Landau level mixing, the WS forms at relatively higher fillings ($\textit{ν}$ ≃ 1/3). Here we report our measurements of the fundamental temperature vs filling phase diagram for the 2D holes’ WS-liquid thermal melting. Moreover, via changing the 2D hole density, we also probe their Landau level mixing vs filling WS-liquid quantum melting phase diagram. In this work, we find our data to be in good agreement with the results of very recent calculations, although intriguing subtleties remain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗