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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Spectral and small-signal electroluminescence analysis of carrier dynamics in dual-color InGaN/GaN light-emitting diodes

Here, we study carrier transport, distribution, and recombination in dual-color c-plane InGaN/GaN LEDs using spectral analysis and small-signal electroluminescence (SSEL). The emissions from green and blue quantum wells (QWs) were experimentally separated and analyzed. Spectral analysis and SSEL independently demonstrate that emission from the green QW is dominant at low current densities, consistent with its narrower bandgap, while emission from the blue QW is more significant at higher current densities, consistent with its reduced quantum confined Stark effect and larger wavefunction overlap. In addition, we demonstrate that the carrier recombination in the QWs is non-uniform, with carrier transport dramatically affecting the carrier distribution between QWs and the recombination in a specific QW. Finally, our measurements suggest that the effective active region contributing most strongly to radiative recombination corresponds to approximately two to three QWs on the p-GaN side, indicating limited carrier transport to more distant QWs in the structures studied.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Recombination rate analysis in long minority carrier lifetime mid-wave infrared InGaAs/InAsSb superlattices

Gallium is incorporated into the strain-balanced In(Ga)As/InAsSb superlattice system to achieve the same mid-wave infrared cutoff tunability as conventional Ga-free InAs/InAsSb type-II superlattices, but with an additional degree of design freedom to enable optimization of absorption and transport properties. Time-resolved photoluminescence measurements of InGaAs/InAsSb superlattice characterization- and doped device structures are reported from 77 to 300 K and compared to InAs/InAsSb. The low-injection photoluminescence decay yields the minority carrier lifetime, which is analyzed with a recombination rate model, enabling the determination of the temperature-dependent Shockley–Read–Hall, radiative, and Auger recombination lifetimes and extraction of defect energy levels and capture cross section defect concentration products. The Shockley–Read–Hall-limited lifetime of undoped InGaAs/InAsSb is marginally reduced from 2.3 to 1.4 μs due to the inclusion of Ga; however, given that Ga improves the vertical hole mobility by a factor of >10×, a diffusion-limited InGaAs/InAsSb superlattice nBn could expect a lower bound of 2.5× improvement in diffusion length with significant impact on photodetector quantum efficiency and radiation hardness. At temperatures below 120 K, the doped device structures are Shockley–Read–Hall limited at 0.5 μs, which shows promise for detector applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Optoelectronic property comparison for isostructural Cu 2 BaGeSe 4 and Cu 2 BaSnS 4 solar absorbers

To target mitigation of anti-site defect formation in Cu 2 ZnSnS 4–x Se x , a new class of chalcogenides, for which Ba or Sr (group 2) replace Zn (group 12), has recently been introduced for prospective solar absorber application. Cu 2 BaGeSe 4 (CBGSe) and Cu 2 BaSnS 4 (CBTS) are two such compounds, which share a common trigonal crystal structure (P3 1 space group) and similar quasi-direct band gap (~2 eV). While CBTS-based films have already been studied, there are no reports yet on films and solar cells based on related CBGSe. To identify key differences and similarities in the electronic properties between these two materials, electronic characteristics (e.g., carrier concentration, mobility, electron affinity, defect levels, recombination, and charge carrier kinetics) of vacuum-deposited CBGSe and CBTS films are compared using a variety of characterization methods. Hall effect measurements reveal that CBGSe films have relatively higher hole carrier concentration and lower mobility (3 × 10 15 cm –3 , 0.6 cm 2 V –1 s –1 ) compared to CBTS (5 × 10 12 cm –3 , 3.5 cm 2 V –1 s –1 ). Photoelectron spectroscopy yields low electron affinity values for both CBGSe (3.7 eV) and CBTS (3.3 eV), pointing to the necessity of pursuing low electron affinity buffer materials for both types of absorbers. At low temperatures, CBGSe films show free-exciton photoluminescence, as well as pronounced deep-level emission at ~1.4 eV, while CBTS films exhibit a strong bound-exciton signal with noticeably less intense deep-level emission than for CBGSe. Charge carrier kinetics, transport, and recombination properties of both types of films are also analyzed using optical-pump terahertz-probe spectroscopy and time-resolved microwave conductivity. The first CBGSe prototype solar cells (using chemical bath deposited CdS as a buffer layer) show a maximum of 1.5% efficiency with ~0.62 V open-circuit voltage. Furthermore, the measured properties point to possible limiting factors for CBGSe and related films for PV and optoelectronics and provide insights on possible approaches for improvement within this multinary chalcogenide family.

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

Trap-Assisted Dopant Compensation Prevents Shunting in poly-Si Passivating Interdigitated Back Contact Silicon Solar Cells

Interdigitated back contact (IBC) solar cells achieve the highest efficiencies of single-junction architectures, but complicated patterning of the rear fingers and spreading of dopants during processing inhibit their mainstream adoption due to concerns of shunting between the IBC fingers. One method of simplifying patterning at the rear is by using contact masks combined with plasma-enhanced chemical vapor deposition (PECVD) or ion implantation. However, the intrinsic isolation region becomes contaminated during high-temperature annealing by lateral diffusion of dopants and during masked PECVD by spreading of dopant radicals through region between the mask and the substrate. Despite this contamination, we show through scanning spreading resistance microscopy and Kelvin probe force microscopy that a ~20 µm wide compensating region exists with high enough resistivity to prevent shunting. We model this p-i-n poly-Si system using two simulation models: a simple resistor model considering only the capture of charge carriers by trap defects in poly-Si to reduce the conductivity, and a more refined 1-dimensional finite element model using Poisson’s equation, drift-diffusion equations, and recombination of carriers. Using this model, we show that high defect density significantly decreases the current across the region between the p- and n-type fingers, preventing shunting.

atom probe↗
NASA NTRS1980

Effects of grain boundaries in polycrystalline solar cells

In polycrystalline solar cells, the short-circuit current is reduced (compared to single-crystal cells) due to recombination of minority carriers at the grain boundaries. The magnitude of this reduction is calculated for the case of a monochromatic beam of light, assuming that both the light beam and the grain boundaries are perpendicular to a p-n junction. The photoresponse of the junction is calculated in terms of the absorption coefficient of the light, the minority-carrier diffusion length, the surface recombination velocity at the grain boundary and the distance of the light beam from the grain boundary. The analysis gives an expression for an effective grain boundary width which depends on wavelength. This width determines the reduction in short-circuit current of solar cells made from material with columnar-type grains.

Zook, J. D.↗
DOE OSTI2022

Optimization of InGaN quantum well interfaces for fast interwell carrier transport and low nonradiative recombination

Efficient high-power operation of light emitting diodes based on InGaN quantum wells (QWs) requires rapid interwell hole transport and low nonradiative recombination. The transport rate can be increased by replacing GaN barriers with that of InGaN. Introduction of InGaN barriers, however, increases the rate of the nonradiative recombination. In this work, we have attempted to reduce the negative impact of the nonradiative recombination by introducing thin GaN or AlGaN interlayers at the QW/barrier interfaces. The interlayers, indeed, reduce the nonradiative recombination rate and increase the internal quantum efficiency by about 10%. Here, the interlayers do not substantially slow down the interwell hole transport; for 0.5 nm Al 0.10 Ga 0.90 N interlayers the transport rate has even been found to increase. Another positive feature of the interlayers is narrowing of the QW PL linewidth, which is attributed to smoother QW interfaces and reduced fluctuations of the QW width.

carrier transport↗
NASA NTRS1990

Wide-bandgap epitaxial heterojunction windows for silicon solar cells

It is shown that the efficiency of a solar cell can be improved if minority carriers are confined by use of a wide-bandgap heterojunction window. For silicon (lattice constant a = 5.43 A), nearly lattice-matched wide-bandgap materials are ZnS (a = 5.41 A) and GaP (a = 5.45 A). Isotype n-n heterojuntions of both ZnS/Si and GaP/Si were grown on silicon n-p homojunction solar cells. Successful deposition processes used were metalorganic chemical vapor deposition (MO-CVD) for GaP and ZnS, and vacuum evaporation of ZnS. Planar (100) and (111) and texture-etched - (111)-faceted - surfaces were used. A decrease in minority-carrier surface recombination compared to a bare surface was seen from increased short-wavelength spectral response, increased open-circuit voltage, and reduced dark saturation current, with no degradation of the minority carrier diffusion length.

Landis, Geoffrey A.↗
DOE OSTI2025

Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics

The polycrystalline nature of perovskites, stemming from their facile solution-based fabrication, leads to a high density of grain boundaries (GBs) and point defects. However, the impact of GBs on perovskite performance remains uncertain, with contradictory statements found in the literature. We developed a machine learning force field, sampled GB structures on a nanosecond time scale, and performed nonadiabatic (NA) molecular dynamics simulations of charge carrier trapping and recombination in stoichiometric and doped GBs. The simulations reveal long, microsecond carrier lifetimes, approaching experimental data, stemming from charge separation at the GBs and small NA coupling, 0.01–0.1 meV. Stoichiometric GBs exhibit transient trap states, which, however, are not particularly detrimental to the carrier lifetime. Halide dopants form interstitial defects in the bulk, but have a stabilizing influence on the GB structure by passivating undersaturated Pb atoms and reducing the transient trap state formation. On the contrary, excess Pb destabilizes GBs, allowing formation of persistent midgap states that trap charges. Still, the charge carrier lifetime reduces relatively little, because the midgap states decouple from the bands, and charges are more likely to escape back into bands upon a GB structural fluctuation. The atomistic study into the structural dynamics of perovskite GBs and its influence on charge carrier trapping and recombination provides valuable insights into the complex properties of perovskites and the intricate role of GBs in the material performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Carrier dynamics in blue, cyan, and green InGaN/GaN LEDs measured by small-signal electroluminescence

We study the carrier dynamics for c-plane InGaN/GaN light-emitting diodes (LEDs) with various emission wavelengths near the green gap using a small-signal electroluminescence method. The LEDs were grown by Lumileds using state-of-the-art growth conditions. Radiative and non-radiative recombination rates are numerically separated, and the carrier recombination lifetime and carrier density are obtained. Experiment shows that the causes of efficiency reduction at longer wavelength in the present structures are injection efficiency decrease, radiative recombination rate decrease, and imbalance of the increase in Auger–Meitner and radiative terms due to the interplay between the carrier–current density relationship and the quantum-confined Stark effect (QCSE). Here, the effects of QCSE, phase-space filling, and the carrier–current density relationship on efficiency reduction at longer wavelengths are examined separately with experimental data and Schrödinger–Poisson calculations. In addition, we confirm the scaling law between C(n) and B(n) under electrical injection and find that the increase in carrier density at a given current density is the primary cause for lower radiative efficiency at high current density in longer wavelength LEDs. Conversely, we do not observe a significant efficiency reduction at longer wavelengths from extrinsic material degradation.

42 ENGINEERING↗
DOE OSTI2020

Relationship between the Nature of Monovalent Cations and Charge Recombination in Metal Halide Perovskites

We report charge recombination rates in lead iodide perovskites with alloys of formamidinium (FA) and methylammonium (MA) cations, FA x MA 1–x PbI 3 , 0 ≤ x ≤ 0.9, prepared through ion exchange with minimal differences in morphology and charge trap density. Our results show that the trap-mediated recombination rate increases over 2 orders of magnitude with decreasing MA content. These results are consistent with a proposed mechanism that MA molecules are more effective in screening charged defects. In contrast, band-to-band charge recombination rates are minimized at an intermediate alloy composition. Here, these findings reveal that the monovalent cations impact recombination processes through different mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Analysis of Thermoradiative Thermal Energy Conversion

The thermoradiative cell is a new method for converting heat energy to electrical power, first detailed by Strandberg in 2015. The cell is a p-n junction semiconductor device, similar to a photovoltaic cell but thermodynamically operating in the reverse direction, converting the thermal dark current into electrical power while radiating waste heat to space. The power and efficiency can be calculated as a function of bandgap in the Shockley-Queisser detailed-balance limit, in which the thermal emissivity of the cell is due to the recombination of electron-hole pairs, and all other recombination losses are ignored. The current produced is directly proportional to the recombination radiation. The fundamental loss mechanism for the thermoradiative cell is the energy carried by the infrared radiation into space from band-to-band recombination of carriers injected across the junction. In an ideal cell, to maximize the efficiency, the emission energy of these photons would precisely equal the bandgap. This can be achieved, for example, using dielectric filters or meta-material filters to recycle emission at other wavelengths back into the cell. The voltage is proportional to the external bias. These two constraints allow optimization of the optimum bias point for maximum power. Unlike photovoltaic cells, the maximum power operating point is not the same as the maximum efficiency point, and higher efficiency can be achieved at a higher (negative) bias in the ideal case. Incorporating non-ideal losses, however, shifts the maximum efficiency point toward lower bias. Unlike in photovoltaic cells, non-radiative recombination (e.g., Auger losses) will reduce the output current, but will not reduce the conversion efficiency, since the recombination energy is retained in the cell in the form of heat. Since a thermoradiative cell operates by radiating directly to space, the current produced by themoradiative cells will increase as Stefan-Boltzmann radiation; roughly the fourth power of the temperature. Thus, the power produced is highest at high operating temperatures, and, unlike conventional thermal conversion, increasing radiator temperature increases, the efficiency. Thus, the choice of technology will be toward semiconductors resistant to degradation at high temperature.

Thermoradiative↗
DOE OSTI2026

Buried Interfaces in Organic Photocathodes for H 2 Evolution: Fermi-Level Pinning and Recombination

Herein, we demonstrate how Fermi-level pinning at buried contacts impacts solar fuel generation in all-polymer photocathodes by systematically comparing the effects of work function, hydroxyl coverage, and hydrogen evolution using chemically modified indium tin oxide (ITO) supports. Photovoltages and net photocathode performance are improved when the ITO is passivated using phosphonic acids, independent of work function, suggesting that the passivation reduces Fermi-level pinning at the buried interface arising from blended heterojunction interactions with surface metal hydroxyls. Transient photovoltage decay reveals differences in recombination mechanisms, supported by light intensity-dependent measurements. Briefly, nonpassivated, hydrophilic contacts exhibit trap-assisted recombination, while passivated, hydrophobic contacts follow bimolecular recombination. We then investigate changes in electroactivity of hole-transfer processes as a function of scan rate and repetitive cycling using a diffusion-controlled molecular redox probe, analogous to a hole-only device achieved via the electrolyte. The nonpassivated buried contacts exhibit higher overpotentials for oxidation, indicative of hole injection/extraction barriers. We observe irreversible electron transfer via the hole-transport level of the blended heterojunction and a strong cycle dependence, consistent with changes in the hole trap state density. Passivation results in more reversible redox behaviors, consistent with more Ohmic-like contacts. Collectively, these results provide context toward the realization of durable organic photoelectrodes with optimized photovoltages and net solar-to-hydrogen conversion efficiencies via fundamental understanding of the rates of carrier generation, recombination, and transport in high-dielectric aqueous environments and opportunities to characterize buried interfaces under device-relevant electric fields.

buried interfaces↗
DOE OSTI2023

Utility of Shockley–Read–Hall analysis to extract defect properties from semiconductor minority carrier lifetime data

The semiconductor minority carrier lifetime contains information about several important material properties, including Shockley–Read–Hall defect levels/concentrations and radiative/Auger recombination rates, and the complex relationships between these parameters produce a non-trivial temperature-dependence of the measured lifetime. It is tempting to fit temperature-dependent lifetime data to extract the properties of the Shockley–Read–Hall recombination centers; however, without a priori knowledge of the distribution of the Shockley–Read–Hall states across the bandgap, this fit problem is under-constrained in most circumstances. Shockley–Read–Hall lifetime data are not well-suited for the extraction of Shockley–Read–Hall defect levels but can be used effectively to extract minority carrier recombination lifetimes. The minority carrier recombination lifetime is observed at temperatures below 100 K in a Si-doped n-type InGaAs/InAsSb superlattice, and deviation from its expected temperature-dependence indicates that the capture cross section of the defect associated with Si-doping has an activation energy of 1.5 meV or a characteristic temperature of 17 K. This lower temperature regime is also preferrable for the analysis of the physics of defect introduction with displacement-damage-generating particle irradiation.

Physics↗
DOE OSTI2021

Nonrad: Computing nonradiative capture coefficients from first principles

Point defects in semiconductor crystals provide a means for carriers to recombine nonradiatively. This recombination process impacts the performance of devices. We present the Nonrad code that implements the first-principles approach of Alkauskas et al. (2014) [8] for the evaluation of nonradiative capture coefficients based on a quantum-mechanical description of the capture process. An approach for evaluating electron-phonon coupling within the projector augmented wave formalism is presented. We also show that the common procedure of replacing Dirac delta functions with Gaussians can introduce errors into the resulting capture rate, and implement an alternative scheme to properly account for vibrational broadening. Finally, we assess the accuracy of using an analytic approximation to the Sommerfeld parameter by comparing with direct numerical evaluation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

All-solid-state Z-scheme BiVO 4 –Bi 6 O 6 (OH) 3 (NO 3 ) 3 heterostructure with prolonging electron-hole lifetime for enhanced photocatalytic hydrogen and oxygen evolution

As a visible-light response photocatalyst, BiVO 4 is widely used in photocatalytic oxygen evolution. In this study, a novel BiVO 4 –Bi 6 O 6 (OH) 3 (NO 3 ) 3 (BBN) heterostructure fabricates via a simple one-pot hydrothermal approach is certified to effectively restrain the recombination of carriers by efficient spatial charge separation. By employing BBN as a reductive-function photocatalyst, a solid-state Z-scheme is constructed to improve the photo-redox capacity of BiVO 4 and hydrogen production is realized in the BiVO 4 –BBN heterostructure for the first time. Furthermore, the solid-state Z-scheme introduced in the BiVO 4 –BBN ensures the photoexcited carriers with the powerful redox capacity to participate in the photocatalytic reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quantized electronic transitions in electrodeposited copper indium selenide nanocrystalline homojunctions

Pairing semiconductors with electrochemical processing offers an untapped opportunity to create novel nanostructures for practical devices. Here we report the results of one such pairing: the in-situ formation of highly-doped, interface-matched, sharp nanocrystalline homojunctions (NHJs) with single step electrodeposition of two copper-indium-selenide (CISe) compounds on flexible foil. It produces a homogenous film, comprising inherently ordered, 3-dimensional interconnected network of pn -CISe NHJs. These CISe NHJs exhibit surprising non-linear emissions, quantized transitions, large carrier mobility, low trap-state-density, long carrier lifetime and possible up-conversion. They facilitate efficient separation of minority carriers, reduce recombination and essentially function like quantum materials. This approach mitigates the material issues and complex fabrication of incumbent nanoscale heterojunctions; it also overcomes the flexibility and scale-up challenges of conventional planar pn junctions. The self-stabilized CISe NHJ film can be roll-to-roll processed in ambient atmosphere, thus providing a promising platform for a range of optoelectronic technologies. This concept exemplified by CISe compounds can be adapted to create nano-scale pn junctions with other inorganic semiconductors.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Temperature Dependence of Photoluminescence in InGaAs/InP Strained MQW Heterostructures

Multiple quantum well (MQW) InGaAsP/InP heterostructure systems have been drawn considerable research interest in recent years due to its suitability for long wavelength optoelectronic devices. The performance of such devices is strongly affected by peculiarities of recombination processes in the quantum wells (QW). The goal of this study was to investigate the effect of barrier width on the radiative recombination of carriers. In our study, the photoluminescence spectra from InGaAsP/lnP MQW double heterostructures have been measured in the 77-290 K temperature range with different excitation intensities.

Raisky, O. Y.↗