High-Efficiency Quasi-2D Perovskite Solar Cells Incorporating 2,2'-Biimidazolium Cation
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Energy & Fuels↗
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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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A high‐order discontinuous Galerkin approach for physics‐based thermospheric modeling
Abstract The accurate prediction of aerodynamic drag on satellites orbiting in the upper atmosphere is critical to the operational success of modern space technologies, such as satellite‐based communication or navigation systems, which have become increasingly popular in the last few years due to the deployment of constellations of satellites in low‐Earth orbit. As a result, physics‐based models of the ionosphere and thermosphere have emerged as a necessary tool for the prediction of atmospheric outputs under highly variable space weather conditions. This paper proposes a high‐fidelity approach for physics‐based space weather modeling based on the solution of the Navier–Stokes equations using a high‐order discontinuous Galerkin method, combined with a matrix‐free strategy suitable for high‐performance computing on GPU architectures. The approach consists of a thermospheric model that describes a chemically frozen neutral atmosphere in nonhydrostatic equilibrium driven by the external excitation of the Sun. A novel set of variables is considered to treat the low densities present in the upper atmosphere and to accommodate the wide range of scales present in the problem. At the same time, and unlike most existing approaches, radial and angular directions are treated in a nonsegregated approach. The study presents a set of numerical examples that demonstrate the accuracy of the approximation and validate the current approach against observational data along a satellite orbit, including estimates of established empirical and physics‐based models of the ionosphere‐thermosphere system. Finally, a one‐dimensional radial derivation of the physics‐based model is presented and utilized for conducting a parametric study of the main thermal quantities under various solar conditions.
Engineering↗
Conjugated-linker dependence of the photophysical properties and electronic structure of chlorin dyads
The synthesis, photophysical properties and electronic structure of seven new chlorin dyads and associated benchmark monomers are described. Each dyad contains two identical chlorins linked at the macrocycle β-pyrrole 13-position. The extent of electronic communication between chlorin constituents depends on the nature of the conjugated linker. The communication is assessed by modification of prominent ground-state absorption and redox properties, rate constants and yields of excited-state decay processes, and molecular-orbital characteristics. Relative to the benchmark monomers, the chlorin dyads in toluene exhibit a substantial bathochromic shift of the long-wavelength absorption band (30 nm average), two-fold increased radiative rate constant [average (10 ns) -1 vs. (22 ns) -1 ], reduced singlet excited-state lifetimes (average 5.0 ns vs. 8.2 ns), and increased fluorescence quantum yields (average 0.56 vs. 0.42). The excited-state lifetime and fluorescence yield for the chlorin dyad with a benzothiadiazole linker are reduced substantially in benzonitrile vs. toluene due largely to ~25-fold accelerated internal conversion. The results aid design strategies for molecular architectures that may find utility in solar-energy conversion and photomedicine.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Disc dichotomy signature in the vertical distribution of [Mg/Fe] and the delayed gas infall scenario
Context. Analysis of the Apache Point Observatory Galactic Evolution Experiment project (APOGEE) data suggests the existence of a clear distinction between two sequences of disc stars in the [α/Fe] versus [Fe/H] abundance ratio space, known as the high- and low-α sequence, respectively. This dichotomy also emerges from an analysis of the vertical distribution of the [α/Fe] abundance ratio. Aims. We aim to test whether the revised two-infall chemical evolution models designed to reproduce the low- and high-α sequences in the [α/Fe] versus [Fe/H] ratios in the solar neighbourhood are also capable of predicting the disc bimodality observed in the vertical distribution of [Mg/Fe] in APOGEE DR16 data. Methods. Along with the chemical composition of the simple stellar populations born at different Galactic times predicted by our reference chemical evolution models in the solar vicinity, we provide their maximum vertical height above the Galactic plane |zmax| computed assuming the relation between the vertical action and stellar age in APOGEE thin-disc stars. Result. The vertical distribution of the [Mg/Fe] abundance ratio predicted by the reference chemical evolution models is in agreement with that observed when combining the APOGEE DR16 data (chemical abundances) with the astroNN catalogue (stellar ages, orbital parameters) for stars younger than 8 Gyr (only low-α sequence stars). Including the high-α disc component, the dichotomy in the vertical [Mg/Fe] abundance distribution is reproduced considering the observational cut in the Galactic height of |z|< 2 kpc. However, our model predicts an overly flat (almost constant) growth of the maximum vertical height |zmax| quantity as a function of [Mg/Fe] for high-α objects in contrast with the median values from APOGEE data. Possible explanations for such a tension are that: (i) the APOGEE sample with |z|< 2 kpc is more likely than ours to be contaminated by halo stars, causing the median values to be kinematically hotter, and (ii) external perturbations – such as minor mergers – that the Milky Way experienced in the past could have heated up the disc, and the heating of the orbits cannot be modeled by only scattering processes. Assuming a disc dissection based on chemistry for APOGEE-DR16 stars (|z|< 2 kpc), the observed |zmax| distributions for high-α and low-α sequences are in good agreement with our model predictions if we consider the errors in the vertical action estimates in the calculation. Moreover, a better agreement between predicted and observed stellar distributions at different Galactic vertical heights is achieved if asteroseismic ages are included as a constraint in the best-fit model calculations. Conclusions. The signature of a delayed gas infall episode, which gives rise to a hiatus in the star formation history of the Galaxy, are imprinted both in the [Mg/Fe] versus [Fe/H] relation and in vertical distribution of [Mg/Fe] abundances in the solar vicinity.
79 ASTRONOMY AND ASTROPHYSICS↗
Star formation in outer rings of S0 galaxies: IV. NGC 254: A double-ringed S0 with gas counter-rotation
Although S0 galaxies are usually considered “red and dead”, they often demonstrate star formation organized into ring structures. We aim to clarify the nature of this phenomenon and how it differs from star formation in spiral galaxies. We investigated the nearby, moderate-luminosity S0 galaxy NGC 254 using long-slit spectroscopy taken with the South African Large Telescope and publicly available imaging data. Applying a full spectral fitting, we analyzed gaseous and stellar kinematics as well as ionized gas excitation and metallicity and stellar population properties resolved by radius. An advanced approach of simultaneously fitting spectra and photometric data allowed us to quantify the fraction of hidden counter-rotating stars in this galaxy. We find that the ionized gas is counter-rotating with respect to the stars throughout NGC 254 disk, indicating an external origin of the gas. We argue the gas-rich galaxy merger from retrograde orbit as a main source of counter-rotating material. The star formation fed by this counter-rotating gas occurs within two rings: an outer ring at R = 55' - 70" and an inner ring at R = 18". The star formation rate is weak, 0.02 solar mass per year in total, and the gas metallicity is slightly subsolar. We estimated that the accretion of the gas occurred about 1 Gyr ago, and about 1% of all stars have formed in situ from counter-rotating gas.
79 ASTRONOMY AND ASTROPHYSICS↗
Reconfigurable Intelligent Surfaces in Action for Nonterrestrial Networks
Next-generation communication technology will be made possible by cooperation between terrestrial networks with nonterrestrial networks (NTNs) composed of high-altitude platform stations (HAPSs) and satellites. Further, as humanity embarks on the long road to establish new habitats on other planets, the cooperation between NTNs and deep-space networks (DSNs) will be necessary. In this regard, we propose the use of reconfigurable intelligent surfaces (RISs) to improve coordination between these networks given that RISs perfectly match the size, weight, and power (SWaP) restrictions of operating in space. Here, a comprehensive framework of RIS-assisted nonterrestrial and interplanetary communications is presented that pinpoints challenges, use cases, and open issues. Furthermore, the performance of RIS-assisted NTNs under environmental effects, such as solar scintillation and satellite drag, is discussed in light of simulation results.
42 ENGINEERING↗
H2Integrate [SWR-23-31]
H2Integrate(H2I) is an open-source Python package for hybrid systems engineering design and technoeconomic analysis. It models and optimizes hybrid energy plants that produce electricity, hydrogen, ammonia, steel, and other products. H2Integrate is designed to be flexible and extensible, allowing users to create their own components and models for various energy systems. The tool currently includes distributed energy generation (wind, solar, wave, tidal), battery storage, hydrogen, ammonia, methanol, and steel technologies. Other elements such as desalination systems, pipelines, compressors, and storage systems can also be included as developed by users. Some modeling capabilities in H2Integrate are provided by integrating existing tools, such as HOPP, PySAM, ORBIT, and ProFAST. The H2Integrate tool is built on top of NASA's OpenMDAO framework, which provides a powerful and flexible environment for modeling and optimization.
King, Jennifer [National Renewable Energy Laborato↗
Hybrid Functional Calculations for Antimony Doping in CdTe
CdTe-based solar cells are leading thin-film photovoltaic technology, with efficiencies over 22%, but still much lower than the theoretical maximum of 29%. Further improvements will rely on increasing the open-circuit voltage Voc, which, in turn, depends on carrier density and lifetime. Using hybrid density functional calculations, we investigate Sb doping of CdTe, focusing on its limitation as shallow acceptor and the formation of compensating AX center. Paying special attention to supercell size and effects of spin-orbit coupling, we predict an ionization energy of 116 meV in the dilute limit, much closer to recent experimental value of 103 meV from temperature-dependent Hall measurements in bulk single crystals, and in contrast to much larger values from previous calculations. We also find that the Sb-related AX centers are not major compensation centers in Sb-doped CdTe.
14 SOLAR ENERGY↗
CubeSats for Gamma-Ray Astronomy [Book Chapter]
After many years of flying in space primarily for educational purposes, CubeSats – tiny satellites with form factors corresponding to arrangements of “1U” units, or cubes, each 10 cm on a side – have come into their own as valuable platforms for technology advancement and scientific investigations. CubeSats offer comparatively rapid, low-cost access to space for payloads that can be built, tested, and operated by relatively small teams, with substantial contributions from students and early career researchers. Continuing advances in compact, low-power detectors, readout electronics, and flight computers have now enabled X-ray and gamma-ray sensing payloads that can fit within the constraints of CubeSat missions, permitting in-orbit demonstrations of new techniques and innovative high-energy astronomy observations. Gamma-ray-sensing CubeSats are certain to make an important contribution in the new era of multi-messenger, time-domain astronomy by detecting and localizing bright transients such as gamma-ray bursts, solar flares, and terrestrial gamma-ray flashes; however, other astrophysical science areas requiring long observations in a low-background environment, including gamma-ray polarimetry, studies of nuclear lines, and measurement of diffuse backgrounds, will likely benefit as well. Here we present the primary benefits of CubeSats for high-energy astronomy, highlight the scientific areas currently or soon to be studied, and review the missions that are currently operating, under development, or proposed. A rich portfolio of CubeSats for gamma-ray astronomy already exists, and the potential for a broad range of creative and scientifically productive missions in the near future is very high.
79 ASTRONOMY AND ASTROPHYSICS↗
Probing elemental diffusion and radiation tolerance of perovskite solar cells via non-destructive Rutherford backscattering spectrometry
Mixed organic–inorganic halide perovskite-based solar cells have attracted interest in recent years due to their potential for both terrestrial and space applications. Analysis of interfaces is critical to predicting device behavior and optimizing device architectures. Most advanced tools to study buried interfaces are destructive in nature and can induce further degradation. Ion beam techniques, such as Rutherford backscattering spectrometry (RBS), is a useful non-destructive method to probe an elemental depth profile of multilayered perovskite solar cells (PSCs) as well as to study the inter-diffusion of various elemental species across interfaces. Additionally, PSCs are becoming viable candidates for space photovoltaic applications, and it is critical to investigate their radiation-induced degradation. RBS can be simultaneously utilized to analyze the radiation effects induced by He+ beam on the device, given their presence in space orbits. In the present work, a 2 MeV He+ beam was used to probe the evidence of elemental diffusion across PSC interfaces with architecture glass/ITO/SnO2/Cs0.05(MA0.17FA0.83)0.95Pb(I0.83Br0.17)3/spiro-OMeTAD/MoO3/Au. During the analysis, the device active area was exposed to an irradiation equivalent of up to 1.62 × 1015 He+/cm2, and yet, no measurable evidence (with a depth resolution ∼1 nm) of beam-induced ion migration was observed, implying high radiation tolerance of PSCs. On the other hand, aged PSCs exhibited indications of the movement of diverse elemental species, such as Au, Pb, In, Sn, Br, and I, in the active area of the device, which was quantified with the help of RBS.
14 SOLAR ENERGY↗
Polymer Hole Transport Materials for Perovskite Solar Cells via Buchwald–Hartwig Amination
The development of low-cost materials for charge-selective contacts that provide good energetic alignment with perovskite active layers, favorable thermal properties, and lead to efficient photoconversion is becoming an increasingly important aspect of the perovskite solar cell (PSC) field. Presented here is a series of polymers based on a one-pot polymerization of aryl dihalides with primary aryl amines to produce solution-processable polymers in high yield, with simple purification, and promising properties for high performing P-I-N PSC devices. How these properties can be tuned by careful selection of the reactant chemical moieties is discussed. Through this strategy, a wide range of relevant properties such as glass transition temperature, highest occupied molecular orbital tuning, and polydispersity are explored. When implemented into devices using a triple-cation FAMACs perovskite active layer, the hole transport material series shows average power conversion efficiencies (PCE) in excess of 17%, which is comparable to controls using state-of-the-art poly(triarylamine). How different synthetic parameters such as the reaction time and purification protocol impact device performance is also investigated.
14 SOLAR ENERGY↗
Nuclear fusion powered Titan aircraft
This paper discusses a system for Titan exploration enabled by nuclear fusion power. Titan is one of the most interesting locations in the solar system with a thick atmosphere, surface oceans, under-ice oceans and complex terrain. This paper provides a conceptual design of a fusion-powered system to explore many parts of Titan and enable the use of high-power instruments. The design includes a fusion-powered orbital transfer vehicle and an electric Titan science aircraft. A Direct Fusion Drive (DFD) propulsive engine could bring a sizable spacecraft to Titan orbit in less than two years. A second fusion reactor, configured as a closed-loop power generator, would be used for an electric Titan science aircraft. Both reactors are based on the Princeton Field-Reversed Configuration (PFRC) concept which combines an FRC with a magnetic mirror. PFRC uses a novel radio-frequency plasma heating system and deuterium-helium-3 fuel. A lower temperature plasma flows around the closed-field FRC region removing the fusion products. In the DFD propulsive configuration, this secondary flow permits direct and variable thrust and exhaust velocity. The science aircraft would do a powered entry to Titan and then have the capability to fly anywhere on the moon at subsonic speeds. The DFD-powered transfer vehicle would allow the in-orbit transfer stage to change inclination as needed to cover different areas of the surface.
33 ADVANCED PROPULSION SYSTEMS↗
The role of native defects and their diffusivity in CdTe
CdTe is a leading thin-film technology for solar-cell applications. Basic features such as the optimum band gap of 1.5 eV and simple manufacturing process have been driving the research on improving the current record efficiency of 22% for CdTe solar cells toward the theoretical limit of 32%. Low p-type doping and short carrier lifetimes in the CdTe absorber have been suggested as the main limiting factors and attributed to defect compensation and carrier recombination. Understanding the role of point defects and impurities in CdTe is crucial to solving these problems. Despite many years of research, the sources of compensation and the microscopic recombination mechanisms are still unclear. By using hybrid density functional calculations with spin-orbit coupling and large supercells, we investigate the electronic properties, the formation energies, and the diffusivities of the native defects in CdTe. As possible sources of compensation for p-type conductivity, we discuss the structural and electronic properties of Cd interstitial, Te vacancies, and TeCd antisites. The stability of each defect is discussed in terms of both the defect formation energy and the migration barrier. We also address possible mechanisms that lead to non-radiative recombination.
14 SOLAR ENERGY↗
Cost-Efficiency balanced polymer acceptors based on lowly fused Dithienopyrrolo[3, 2b]benzothiadiazole for 16.04% efficiency All-Polymer solar cells
All-polymer solar cells (All-PSCs) attracted increasing attention due to the outstanding thermal stability and mechanical properties. The current prevailing polymer acceptors for most efficient All-PSCs are polymerized high-performance small molecule acceptor of Y6, i.e. the dithienothiopheno[3,2-b]-pyrrolobenzothiadiazole (BTTP) based polymers. However, the BTTP-based polymers often show relatively shallow highest occupied molecular orbital (HOMO) energy level and high figure of merit (FOM), which limit the rational selection of paring donor polymers. Herein, we presented two low-cost polymer acceptors, namely as BTP-T2F and BTP-2T2F, based on lowly fused dithienopyrrolo[3,2b]benzothiadiazole (BTP, removing two thiophene cycles from BTTP). Here the BTP-based polymers exhibited deeper HOMO levels around –5.90 eV, which could match variable donor polymers with low-lying HOMO levels, such as low-cost PTQ10. Additionally, the synthesis was significantly simplified compared to BTTP-based polymers. A power conversion efficiency (PCE) of 14.32% was achieved in binary blend device containing PTQ10:BTP-2T2F. By adding a miscibility-enhancing PBDTCl-TPD as a third component, the top PCE of 16.04% was obtained in ternary blend All-PSCs. Combining the high device performance and low estimated cost, extraordinary cost-efficiency balance was realized within these BTP-based polymer acceptors.
36 MATERIALS SCIENCE↗
Investigating Mercury’s Environment with the Two-Spacecraft BepiColombo Mission
The ESA-JAXA BepiColombo mission will provide simultaneous measurements from two spacecraft, offering an unprecedented opportunity to investigate magnetospheric and exospheric dynamics at Mercury as well as their interactions with the solar wind, radiation, and interplanetary dust. Many scientific instruments onboard the two spacecraft will be completely, or partially devoted to study the near-space environment of Mercury as well as the complex processes that govern it. Many issues remain unsolved even after the MESSENGER mission that ended in 2015. The specific orbits of the two spacecraft, MPO and Mio, and the comprehensive scientific payload allow a wider range of scientific questions to be addressed than those that could be achieved by the individual instruments acting alone, or by previous missions. These joint observations are of key importance because many phenomena in Mercury’s environment are highly temporally and spatially variable. Finally, examples of possible coordinated observations are described in this article, analysing the required geometrical conditions, pointing, resolutions and operation timing of different BepiColombo instruments sensors.
79 ASTRONOMY AND ASTROPHYSICS↗
Polymer Hole Transport Material Functional Group Tuning for Improved Perovskite Solar Cell Performance
As lead halide perovskites (LHPs) continue to achieve success as a light-harvesting material in perovskite solar cells (PSCs), exploring and understanding other materials in the device stack become increasingly important. Particularly, selection of suitable hole transport materials (HTMs) that demonstrate high performance and stability is imperative in the design of P-I-N PSCs. Presented here are a family of 12 structurally related polymers based on either fluorene or carbazole main chains with select aromatic side groups that introduce tunable properties for use in PSCs. How properties such as the highest occupied molecular orbital energy level, conductivity, glass-transition temperature, and wettability of the HTM affect the PSC performance is explored. Devices that incorporate the polymer HTMs perform well relative to PTAA in benchmark P-I-N PSC architectures while exhibiting similar or superior stability under accelerated aging studies. The relative synthetic simplicity and resultant performance of the HTMs in PSCs coupled with the ability to customize properties with different functional groups demonstrates the potential of this family of HTMs for a variety of LHP materials.
14 SOLAR ENERGY↗
Why Are There so Few Reports of High-Energy Electron Drift Resonances? Role of Radial Phase Space Density Gradients
Models of monochromatic Pc5 (2–7 mHz) ultralow frequency (ULF) wave interactions with high energy (greater than ~1 MeV) electrons predict drift resonant interactions that can cause rapid radial transport and acceleration. There are few reports of electron drift resonance at energies greater than ~1 MeV, in contrast to lower energies; moreover, all previous reports occur in the aftermath of interplanetary shocks. These two facts are difficult to reconcile with theory and numerical simulations predicting that greater than ~1 MeV drift resonances should occur more often and in a wider variety of driving conditions. In this study, we show that a combination of observational sampling biases and nominal radial phase space density gradients is one explanation for this discrepancy between theory and observations. In particular, we examine electron dynamics in two case studies with very similar satellite coverage, solar wind conditions, and Pc5 wave properties, yet with different radial phase space density profiles. Using global wave and particle observations, we show that the events have vastly different particle responses despite having similar wave properties. Placing these results in context with past studies, we further show here that nominal radial PSD gradients near geostationary orbit can mask the expected drift resonance particle response and explain (1) the small number of past greater than ~1 MeV drift resonance reports and (2) the restriction of these reports to interplanetary shock events. We argue that future observational studies characterizing radial transport via drift resonance should examine global particle dynamics, including observations of the radial phase space density profile.
79 ASTRONOMY AND ASTROPHYSICS↗
Element-specific investigations of ultrafast dynamics in photoexcited Cu2ZnSnS4 nanoparticles in solution
Ultrafast, light-induced dynamics in copper–zinc–tin–sulfide (CZTS) photovoltaic nanoparticles are investigated through a combination of optical and x-ray transient absorption spectroscopy. Laser-pump, x-ray-probe spectroscopy on a colloidal CZTS nanoparticle ink yields element-specificity, which reveals a rapid photo-induced shift of electron density away from Cu-sites, affecting the molecular orbital occupation and structure of CZTS. We observe the formation of a stable charge-separated and thermally excited structure, which persists for nanoseconds and involves an increased charge density at the Zn sites. Combined with density functional theory calculations, the results provide new insight into the structural and electronic dynamics of CZTS absorbers for solar cells.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗