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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Insights into the Dynamic Interfacial and Bulk Composition of Copper-Modified, Hydrogen-Alloyed, Palladium Nanocubes under Electrocatalytic Conditions

Understanding and controlling the alloying properties of nanomaterials under electrochemical conditions are critically important for fields ranging from energy storage and catalysis to electrochromic window technology. Hydrogen-absorbing nanomaterials, like palladium, are especially interesting due to their ability to reversibly absorb and store hydrogen in their lattice at near-stoichiometric amounts. Palladium’s work function is also significantly deeper than that of most transition metals, which enables electrochemical underpotential deposition of conformal monolayer and submonolayer amounts of transition metals onto the palladium surface. The simultaneous existence of these two properties is unique and opens new and exciting avenues for electrochemical applications. However, the intersection of surface-modified, hydrogen-alloyed palladium nanomaterials is poorly understood, and specifically, how these structures evolve during electrochemical operating conditions remains an open question. Here, we synthesize {100}-terminated palladium nanocubes and deposit between 0.5 and 22 monolayers of copper at the palladium surface. We then electrochemically alloy these surface-modified structures with hydrogen. Using a combination of analytical electrochemistry, spectroscopy, and microscopy, we track the positional evolution of the Cu at the surface of Pd, its impact on palladium’s ability to absorb hydrogen, and copper’s effect on hydrogen evolution electrocatalysis. We show that Cu readily alloys into the palladium nanocube at potentials more negative than the Cu 2+/0 deposition, but a 0.5 monolayer thick copper layer remains at the Pd surface regardless of potential. Finally, we discuss the implications of these findings within the framework of CO 2 reduction catalysis for carbon–carbon bond-forming chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Optimizing Ammonia Separation via Reactive Absorption for Sustainable Ammonia Synthesis

Metal halide salts such as magnesium chloride have been shown to be promising candidates for ammonia storage materials for energy storage and agriculture applications due to their ability to incorporate several moles of ammonia per mole of salt. Ammonia exiting a synthesis reactor can be separated from nitrogen and hydrogen by absorption into magnesium chloride. Such an absorption can be more complete and hotter than separation via ammonia condensation, the current standard in the Haber–Bosch process. Here, we discuss the optimal conditions for the cyclic uptake and release of ammonia from the supported magnesium chloride absorbents. An automated system was designed for measuring the nonequilibrium working capacity of the absorbent, as well as the impact of important operating conditions such as absorption and desorption temperature, pressure, and desorption time. Measurements of absorption and desorption kinetics provide insight into the mechanisms involved. The temperatures and pressures during absorption and desorption were designed to use minimal energy input to maximize the uptake and release of ammonia within a reasonable amount of time. In a laboratory-scale bed, absorption has a small unused bed length, so it is largely independent of mass transfer; it is dominated by how fast ammonia is fed to the bed. Yet, desorption is restricted both by the speed of heating the bed and by diffusion out of the absorbent. These measurements provide guidelines for ammonia separations and cycling sorbent materials on a larger scale.

10 SYNTHETIC FUELS↗
DOE OSTI2021

Controlling and Optimizing Photoinduced Charge Transfer across Ultrathin Silica Separation Membrane with Embedded Molecular Wires for Artificial Photosynthesis

Ultrathin amorphous silica membranes with embedded organic molecular wires (oligo( p -phenylenevinylene), three aryl units) provide chemical separation of incompatible catalytic environments of CO 2 reduction and H 2 O oxidation while maintaining electronic and protonic coupling between them. For an efficient nanoscale artificial photosystem, important performance criteria are high rate and directionality of charge flow. Here, the visible-light-induced charge flow from an anchored Ru bipyridyl light absorber across the silica nanomembrane to Co 3 O 4 water oxidation catalyst is quantitatively evaluated by photocurrent measurements. Charge transfer rates increase linearly with wire density, with 5 nm -2 identified as an optimal target. Accurate measurement of wire and light absorber densities is accomplished by the polarized FT-IRRAS method. Guided by density functional theory (DFT) calculations, four wire derivatives featuring electron-donating (methoxy) and -withdrawing groups (sulfonate, perfluorophenyl) with highest occupied molecular orbital (HOMO) potentials ranging from 1.48 to 0.64 V vs NHE were synthesized and photocurrents evaluated. Charge transfer rates increase sharply with increasing driving force for hole transfer from the excited light absorber to the embedded wire, followed by a decrease as the HOMO potential of the wire moves beyond the Co 3 O 4 valence band level toward more negative values, pointing to an optimal wire HOMO potential around 1.3 V vs NHE. Comparison with photocurrents of samples without nanomembrane indicates that silica layers with optimized wires are able to approach undiminished electron flux at typical solar intensities. Combined with the established high proton conductivity and small-molecule blocking property, the charge transfer measurements demonstrate that oxidation and reduction catalysis can be efficiently integrated on the nanoscale under separation by an ultrathin silica membrane.

photocurrent measurements↗
DOE OSTI2026

Spectrophotometric study of erbium (III) speciation in chloride solutions from 25 to 75 °C

In this study, UV-Vis spectrophotometric experiments were conducted from 25 to 75 °C using Er-HClO4-bearing solutions with varying NaCl concentrations. The molar absorbance coefficient of Er3+ decreases with temperature, and the absorbance intensity gradually decreases with increasing mCl/mEr ratios. The number of absorbing species include Er3+ and ErCl2+ even at the highest mCl/mEr ratio. The formation constant (β 1 ) for the ErCl 2+ species was derived and fitted between 50 and 250 °C with existing literature values, yielding the following equation: logβ 1 0 = −22.4315 + 0.0345T + 3.9379·10 3 /T, where T is temperature in Kevin.

58 GEOSCIENCES↗
DOE OSTI2021

Harnessing Photoelectrochemistry for Wastewater Nitrate Treatment Coupled with Resource Recovery

Wastewater is a misplaced resource well suited to recover nutrients, value-added chemicals, energy, and clean water. A photoelectrochemical device is proposed to transform wastewater nitrates to ammonia and nitrous oxide, coupled with water oxidation. Numerical models were developed to quantify the dependence of process efficiencies and nitrogen-removal rates on light absorber band gaps, electrocatalytic kinetic parameters, competing oxygen reduction and hydrogen evolution reactions, and the reacting nitrate species concentrations that affect the mass-transfer limited current densities. With a single light-absorber and state-of-the-art catalysts, optimal solar-to-chemical efficiencies of 7% and 10% and nitrogen-removal rates of 260 and 395 gN m -2 day -1 are predicted for nitrate reduction to ammonia and nitrous oxide, respectively. The influence of competing reactions on the performance depends on the nitrate concentration and band gap of the light absorber modeled. Oxygen reduction is more dominant than hydrogen evolution to compete with the nitrate reduction reaction, but it is mass-transfer limited. Even with kinetic parameters that enhanced the driving forces for the competing reactions, the performance is only minimally affected by these reactions for optimally selected band gaps and nitrate concentrations larger than 100 mM. Here, theoretically predicted peak nitrogen removal rates and specific energy intensities are competitive with reported estimates for electrochemical and Sharon-Anammox processes for ammonia recovery and nitrogen removal, respectively. This result, together with the added benefit of harnessing sunlight to produce value-added products, indicates promise in the photoelectrochemical approach as a tertiary pathway to recover nutrients and energy from wastewater nitrates.

25 ENERGY STORAGE↗
DOE OSTI2022

Brown Carbon Fuel and Emission Source Attributions to Global Snow Darkening Effect

Snow and ice albedo reduction due to deposition of absorbing particles (i.e., snow darkening effect (SDE)) warms the Earth system and is largely attributed to black carbon (BC) and dust. Absorbing organic aerosol (BrC) also contributes to SDE but has received less attention due to uncertainty and challenges in model representation. This work incorporates the SDE of absorbing organic aerosol (BrC) from biomass burning and biofuel sources into the Snow Ice and Aerosol Radiative (SNICAR) model within a variant of the Community Earth System Model (CESM). Additionally, 12 different emission regions of BrC and BC from biomass burning and biofuel sources are tagged to quantify the relative contribution to global and regional SDE. BrC global SDE (0.021–0.056 Wm -2 ) is larger than other model estimates, corresponding to 37%–98% of the SDE from BC. When compared to observations, BrC simulations have a range in median bias (-2.5% to +21%), with better agreement in the simulations that include BrC photochemical bleaching. The largest relative contributions to global BrC SDE are traced to Northern Asia (23%–31%), Southeast Asia (16%–21%), and South Africa (13%–17%). Transport from Southeast Asia contributes nearly half of the regional BrC SDE in Antarctica (0.084–0.3 Wm -2 ), which is the largest regional input to global BrC SDE. Lower latitude BrC SDE is correlated with snowmelt, in-snow BrC concentrations, and snow cover fraction, while polar BrC SDE is correlated with surface insolation and snowmelt. This indicates the importance of in-snow processes and snow feedbacks on modeled BrC SDE.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Soft elasticity optimises dissipation in 3D-printed liquid crystal elastomers

Soft-elasticity in monodomain liquid crystal elastomers (LCEs) is promising for impact-absorbing applications where strain energy is ideally absorbed at constant stress. Conventionally, compressive and impact studies on LCEs have not been performed given the notorious difficulty synthesizing sufficiently large monodomain devices. Here, we use direct-ink writing 3D printing to fabricate bulk (>cm 3 ) monodomain LCE devices and study their compressive soft-elasticity over 8 decades of strain rate. At quasi-static rates, the monodomain soft-elastic LCE dissipated 45% of strain energy while comparator materials dissipated less than 20%. At strain rates up to 3000 s –1 , our soft-elastic monodomain LCE consistently performed closest to an ideal-impact absorber. Drop testing reveals soft-elasticity as a likely mechanism for effectively reducing the severity of impacts – with soft elastic LCEs offering a Gadd Severity Index 40% lower than a comparable isotropic elastomer. Lastly, we demonstrate tailoring deformation and buckling behavior in monodomain LCEs via the printed director orientation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Radiation-Induced Effects on the Extraction Properties of Hexa-n-octylnitrilo-triacetamide (HONTA) Complexes of Americium and Europium

The candidate An(III)/Ln(III) separation ligand hexa-n-octylnitrilo-triacetamide (HONTA) was irradiated under envisioned SELECT (Solvent Extraction from Liquid waste using Extractants of CHON-type for Transmutation) process conditions (n-dodecane/0.1 M HNO 3 ) using a solvent test loop in conjunction with cobalt-60 gamma irradiation. The extent of HONTA radiolysis and complimentary degradation product formation was quantified by HPLC-ESI-MS/MS. Further, the impact of HONTA radiolysis on process performance was evaluated by measuring the change in 243 Am and 154 Eu distribution ratios as a function of absorbed gamma dose. HONTA was found to decay exponentially with increasing dose, affording a dose coefficient of d = (4.48 ± 0.19) × 10 –3 kGy –1 . Multiple degradation products were detected by HPLC-ESI-MS/MS with dioctylamine being the dominant quantifiable species. Both 243 Am and 154 Eu distribution ratios exhibited an induction period of ~70 kGy for extraction (0.1 M HNO 3 ) and back-extraction (4.0 M HNO 3 ) conditions, after which both values decreased with absorbed dose. The decrease in distribution ratios was attributed to a combination of the destruction of HONTA and ingrowth of dioctylamine, which is capable of interfering in metal ion complexation. Furthermore, the loss of HONTA with absorbed gamma dose was predominantly attributed to its reaction with the n-dodecane radical cation (R˙ + ). These R˙ + reaction kinetics were measured for HONTA and its 241 Am and 154 Eu complexes using picosecond pulsed electron radiolysis techniques. All three second-order rate coefficients (k) were essentially diffusion limited in n-dodecane indicating a significant reaction pathway: k(HONTA + R˙ + ) = (7.6 ± 0.8) × 10 9 M –1 s –1 , k(Am(HONTA) 2 + R˙ + ) = (7.1 ± 0.7) × 10 10 M –1 s –1 , and k(Eu(HONTA) 2 + R˙ + ) = (9.5 ± 0.5) × 10 10 M –1 s –1 . HONTA-metal ion complexation afforded an order-of-magnitude increase in rate coefficient. Additional nanosecond time-resolved measurements showed that both direct and indirect HONTA radiolysis yielded the short-lived (< 100 ns) HONTA radical cation and a second long-lived (µs) species identified as the HONTA triplet excited state. The latter was confirmed by a series of oxygen quenching picosecond pulsed electron measurements, affording a quenching rate coefficient of k( 3 [HONTA]* + O 2 ) = 2.2 × 10 8 M –1 s –1 . Overall, both the HONTA radical cation and triplet excited state are important precursors to the suite of measured HONTA degradation products.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

3D Bacterial flagella as both synthetic biotemplates and ultrathin spacers for enhanced inter-particle coupling and solar energy harvesting

Linear light-absorbing nanomaterials are ideal for film-based solar harvesting applications as they form porous structures that can maximize the absorption and minimize the reflection of the solar light. Conventional 1D nanochains of plasmonic nanoparticle assemblies can achieve significantly broadened optical absorption through surface plasmon coupling, but their optical bands are still not broad enough to absorb through the solar spectrum and thus are not efficient solar absorbers. Here we discovered first by simulation that 3D structured nanochains of plasmonic nanoparticles presented a remarkably increased optical broadening effect and much longer redshift of the optical peaks due to the enhanced inter-particle coupling effect. Then we fabricated 3D nanochains by assembling gold nanoparticles (AuNPs) around 14 nm ultrathin bionanofibers, the bacterial flagella. Additionally, the ultrathin biotemplates enabled the 3D arrangement of 50 nm AuNPs along the nanofiber with a very small inter-particle gap, allowing the strong coupling of surface plasmons in a 3D manner. Consistent with the theoretical prediction, the 3D nanochains, when assembled into films, could effectively convert nearly the full spectrum of solar energy into heat, which was further efficiently converted into electricity through a thermoelectric generation unit. Our work represents a nanobiomaterial approach to highly efficient solar thermal power generation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Steep sulfur gradient in CZTSSe solar cells by H 2 S-assisted rapid surface sulfurization

Sulfur/selenium grading is a widely used optimization strategy in kesterite thin-film solar cells to obtain a bandgap-graded absorber material and to optimize optical and electrical properties of the solar-cell device. In this work, we present a novel approach to introduce a [S]/([S] + [Se]) grading for Cu 2 ZnSn(S,Se) 4 solar cells. In contrast to commonly used methods with slow process dynamics, the presented approach aims to create a fast sulfurization reaction on the surface of pure selenide kesterite absorbers by using highly reactive H 2 S gas and high sulfurization temperatures in a rapid flash-type process. With a combination of X-ray photoelectron spectroscopy, X-ray emission spectroscopy, Raman spectroscopy, and Raman-shallow angle cross sections spectroscopy, we gain depth-varied information on the [S]/([S] + [Se]) ratio and discuss the impact of different process parameter variations on the material and device properties. The results demonstrate the potential of the developed process to generate a steep gradient of sulfur that is confined mainly to the surface region of the absorber film.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Solar cell contacts: quantifying the impact of interfacial layers on selectivity, recombination, charge transfer, and V oc

Interfacial layers (IFLs) are ubiquitous in solar cells, but their precise impact on carrier transfer rates and the relation of these rates to performance metrics and the concepts of selectivity and recombination is lacking. We report the use of a well-defined interdigitated back-contact (IBC) silicon solar cell to determine the precise role of such IFLs. We characterize the action of the common IFL spiro-OMeTAD by making it a third contact to the IBC cell. This architecture creates three solar cells within a single structure that, with numerical simulation, provide the exchange current densities (i.e., charge transfer rates) for electrons ( J 0n ) and holes ( J 0p ) and the quasi Fermi-level splitting in the absorber, which measures the balance of generation and recombination. Further, we describe the relation of V oc to contact recombination, the asymmetry in electron/hole collection rates at a single contact (contact selectivity), and the asymmetry in collection rates of the same carrier at separate contacts (carrier selectivity). Relative to bare gold, neat spiro-OMeTAD reduces J 0n and J 0p (their geometric mean ( J 0n J 0p ) 0.5 decreases by 10 4 ), decreasing contact recombination. Addition of the common dopant Li-TFSI and air increase J 0p / J 0n by 10 6 with little effect on ( J 0n J 0p ) 0.5 , increasing contact hole selectivity. The significant increase in V oc observed by introducing spiro-OMeTAD/Li-TFSI IFLs into the cells studied, however, is due to an increase in the carrier selectivity rather than the contact selectivity or recombination of the spiro-OMeTAD-modified contact. Operando measurements further show voltage-dependent changes in the J 0 s, demonstrating that spiro-OMeTAD contributes to hysteresis. Broader context : Solar cells operate by photogenerating excess charge carriers in an absorber material and, in competition with recombination, asymmetrically extracting them at so-called carrier-selective contacts, one that ideally collects only electrons and the other, only holes. Particularly in emerging photovoltaics such as perovskites, thin layers of organic semiconductors or related materials are introduced between the absorber and contact to improve power conversion efficiency. In terms of interfacial charge transfer, a prevailing view is that such interfacial layers improve performance by helping block the collection of the undesired carrier, considered a form of recombination. We use a novel platform to study the simultaneous impact of spiro-OMeTAD, a common interfacial layer, on the collection of electrons, the collection of holes, and on the recombination of electrons and holes. We quantitatively demonstrate that spiro-OMeTAD layers indeed passivate the contact toward recombination, but that larger improvements in the open-circuit voltage, a key cell metric, can come not only from this but also from increasing the asymmetry of the collection of electrons in the system. Further, operando measurements show transient changes in the properties of spiro-OMeTAD which suggest that it contributes to hysteresis phenomena commonly observed in perovskite and other solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Illuminating the mechanistic impacts of an Fe-quaterpyridine functionalized crystalline poly(triazine imide) semiconductor for photocatalytic CO 2 reduction

The strategy of incorporating earth-abundant catalytic centers into light-absorbing architectures is desirable from the viewpoint of low cost, low toxicity, and versatility for activating small molecules to produce solar-based fuels. Herein, we show that an Fe-quaterpyridine molecular catalyst can be anchored to a light-absorbing, crystalline, carbon nitride (PTI), to yield a molecular-catalyst/material hybrid, Fe-qpy-PTI, capable of facilitating CO 2 reduction to CO selectively (up to ∼97–98%) in aqueous solution under low-intensity light irradiation. This hybrid material leverages the ability of the Fe-qpy catalyst to bind CO 2 upon a one-electron reduction, as achieved by transfer of excited electrons from the carbon-nitride semiconductor. At a low incident power density of only 50 mW cm −2 , the catalytic activity of the hybrid material was measured across a range of catalyst loadings from 0.1–3.8 wt%, yielding CO rates of up to 596 μmol g −1 h −1 for a 3.8 wt% loading during a 3 h experiment. Over the course of 8 h, the hybrid material attained a CO evolution rate of 608 μmol g −1 h −1 and 305 turnovers for a TOF of ∼38 h −1 and an apparent quantum yield of 2.6%. Higher light intensities provided an initial increase in activity but negatively impacted photocatalytic rates with time, with an AQY of 0.6% at 150 mW cm −2 and 0.4% at 250 mW cm −2 . Transient absorption spectroscopy results showed electron survival probabilities consistent with the trends in observed product rates. Computational modeling was also used to evaluate and understand the mechanistic pathway of the high product selectivity for CO versus H 2 . These results thus help unveil key factors for leveraging the mechanistic understanding of molecular catalysts for CO 2 reduction for pairing with light absorbing semiconductors and establishing optimal conditions to attain maximal rates in aqueous solution.

McGuigan, Scott [Baylor University, Waco, TX (Unit↗
DOE OSTI2026

Delving into the depths of NGC 3783 with XRISM V. Broad-band modelling of ionized outflows

The Seyfert 1 galaxy NGC 3783 hosts a multi-phase warm absorber (WA) that has been extensively studied in the X-ray band. High-resolution spectra from 2000−2001 revealed a complex outflow with multiple ionization and velocity components. Two decades later, new XMM-Newton and XRISM observations allow us to investigate the long-term evolution of these outflows. We performed joint spectral modelling of the XMM-Newton /RGS and XRISM/Resolve time-averaged spectra using the pion photoionization code within SPEX. We derived the ionization parameter, column density, turbulent velocity, and outflow velocity for each absorption component, and investigated their thermal stability and absorption measure distribution (AMD) to characterize the physical and dynamical properties of the WA in NGC 3783 in 2024. We compared these results with the 2000−2001 epoch to assess long-term variability, stability, and possible changes in the absorber population. We identify eight WA components spanning log ξ = 1.08 − 3.38 and outflow velocities of 480−1230 km s −1 . The ranges of column densities and turbulent velocities remain broadly consistent with the WAs from 2000−2001, but the earlier data contained more low-ionization, high-velocity components. The total column density of all the outflows in 2024 is 1.5 times larger than in 2000−2001, which means that it has been replenished by fresh material. The dominant unresolved transition array (UTA) absorber (component B3) has increased its column density by a factor of three while maintaining a similar ionization parameter. The WAs in NGC 3783 have undergone significant structural and dynamical evolution over the past 24 years.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Effects of intrinsic and atmospherically induced defects in narrow bandgap (FASnI 3 ) x (MAPbI 3 ) 1- x perovskite films and solar cells

Narrow band gap mixed tin (Sn) + lead (Pb) perovskites are vital as the bottom sub-cell absorber in high efficiency all-perovskite polycrystalline tandem solar cells. Here, we report on the impact of mixed cation composition and atmospheric exposure of perovskite films on sub-gap absorption in films and performance of solar cells based on narrow band gap mixed formamidinium (FA) + methylammonium (MA) and Sn+Pb halide perovskites, (FASnI 3 ) x (MAPbI 3 ) 1- x . Structural and optical properties of 0.3 ≤ x ≤ 0.8 (FASnI 3 ) x (MAPbI 3 ) 1- x perovskite thin film absorbers with band gaps ranging from 1.25 ( x = 0.6) to 1.34 eV (x = 0.3) are probed with and without atmospheric exposure. Urbach energy, which quantifies the amount of sub-gap absorption, is tracked for pristine perovskite films as a function of composition, with x = 0.6 and 0.3 demonstrating the lowest and highest Urbach energies of 23 and 36 meV, respectively. Films with x = 0.5 and 0.6 compositions show less degradation upon atmospheric exposure than higher or lower Sn-content films having greater sub-gap absorption. The corresponding solar cells based on the x = 0.6 absorber show the highest device performance. Despite having a low Urbach energy, higher Sn-content solar cells show reduced device performances as the amount of degradation via oxidation is the most substantial.

14 SOLAR ENERGY↗
DOE OSTI2020

Assessing the roles of Cu- and Ag-deficient layers in chalcopyrite-based solar cells through first principles calculations

Chalcopyrites are a demonstrated material platform for realizing efficient thin-film photovoltaics, with the most well known Cu(In,Ga)Se 2 (CIGS)-based solar cells exceeding 23%. Several factors, including flexibility in tuning the absorber bandgap, enhanced surface treatments, and the electrically benign nature of common defects are responsible for the existing high performance and future promise in chalcopyrite-based photovoltaic devices. The introduction of Cu-poor phases (also known as ordered-vacancy compounds or OVCs) between the absorber and buffer layers in CIGS solar cells is known to enhance device performance; however, the overall properties and role of OVCs remain poorly understood. Using first principles calculations based on the density functional theory with screened hybrid functionals, here we explore the electronic structure and stability of OVCs and their band offsets with defect-free chalcopyrite layers in Cu- and Ag-based compounds (ABX 2 where A=Cu, Ag; B=In, Ga, Al; and X=S, Se). Using AB 3 X 5 and AB 5 X 8 stoichiometries as model OVC systems, we report on the variation of the bandgap with the A/B ratio and discuss the trends in other Cu- and Ag-based chalcopyrites beyond CuInSe 2 . We find that the valence and conduction bands are lower in energy in OVCs with respect to the parent ABX 2 chalcopyrite owing to a reduced p–d interaction between X and A atoms. We additionally perform device-level simulations to assess the implications of the results, finding that the valence band offsets of OVCs are favorable, while the conduction band offsets of chalcopyrites beyond CuInSe 2 -based absorbers may be detrimental in conventional solar cell device designs.

14 SOLAR ENERGY↗
DOE OSTI2020

15.9% organic tandem solar cell with extended near-infrared absorption

Stacking single-junction organic solar cells is effective in increasing the power conversion efficiency (PCE) by reducing the thermalization loss and increasing the open circuit voltage. Current developments of non-fullerene acceptors (NFAs) offer a range of materials whose energy gaps are suited for absorbing relatively narrow slices of the solar spectrum, thus easing requirements for current balance between sub-elements in the multijunction stacks. In this report, we demonstrate a solution-processed tandem organic solar cell comprising a binary, visible-absorbing sub-cell and a ternary near-infrared (NIR) absorbing sub-cell. The ternary NIR sub-cell utilizes a narrow energy gap NFA acceptor that enables a broadened and increased absorption compared to a binary NIR sub-cell. An isopropanol surface treatment is developed to connect the hydrophilichydrophobic surfaces in the charge recombination zone (CRZ) located between the sub-cells. The nearly optically and electrically lossless CRZ combined with an anti-reflection coating results in a tandem OPV with PCE = 15.9 ± 0.2 % under AM 1.5G simulated illumination.

14 SOLAR ENERGY↗
DOE OSTI2022

Absorption of transverse spin current in ferromagnetic NiCu: Dominance of bulk dephasing over spin-flip scattering

In ferromagnetic metals, transverse spin currents are thought to be absorbed via dephasing—i.e., destructive interference of spins precessing about the strong exchange field. Yet, due to the ultrashort coherence length of ≈1 nm in typical ferromagnetic thin films, it is difficult to distinguish dephasing in the bulk from spin-flip scattering at the interface. Here, to assess which mechanism dominates, we examine transverse spin-current absorption in ferromagnetic NiCu alloy films with reduced exchange fields. We observe that the coherence length increases with decreasing Curie temperature, as weaker dephasing in the film bulk slows down spin absorption. Moreover, nonmagnetic Cu impurities do not diminish the efficiency of spin-transfer torque from the absorbed spin current. Our findings affirm that the transverse spin current is predominantly absorbed by dephasing inside the nanometer-thick ferromagnetic metals, even with high impurity contents.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Maximal absorption in ultrathin TiN films for microbolometer applications

Ultrathin light absorbers present a viable route toward improving the specific detectivity and response time of microbolometers. However, for an ultrathin film to absorb light efficiently, the dielectric function of the film and its thickness must satisfy strict requirements. Here we experimentally demonstrate an average absorptance of 48% ± 2.5% in the 8–13 μm (769–1250 cm -1 ) spectral range for 10 nm thick titanium nitride (TiN), a value bordering on the 50% fundamental absorptance limit for a suspended thin film. The heat capacity per unit area of this absorber is only 1.2 × 10 -6 J/K/cm 2 , which is beneficial for improving the response time of a microfabricated bolometer. We also show that a sufficient condition for reaching maximal absorption in an ultrathin film is that ε" $\gg$ |ε'|.

36 MATERIALS SCIENCE↗