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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Impact of doped barriers on the recombination coefficients of c -plane InGaN/GaN single quantum well light-emitting diodes

Differential carrier lifetime measurements were performed on c-plane InGaN/GaN single quantum well (QW) light-emitting diodes (LEDs) of different QW indium compositions as well as with and without doped barriers. Mg-doped p-type and Si-doped n-type barriers close to the QW were used to reduce the net internal electric field in the QW, thereby improving the electron–hole wavefunction overlap on the LEDs. LEDs with doped barriers show short lifetimes and low carrier densities in the active region compared to the reference LEDs. The recombination coefficients in the ABC model were estimated based on the carrier lifetime and quantum efficiency measurements. The improvement in the radiative coefficients in the LEDs with doped barriers coupled with the blueshift of the emission wavelengths indeed indicates an enhancement in wavefunction overlap and a reduction of quantum confined Stark effect as a result of the reduced internal electric field. However, doped barriers also introduce non-radiative recombination centers and thereby increase the Shockley–Read–Hall (SRH) coefficient, although the increment is less for LEDs with high indium composition QWs. As a result, at high indium composition (22%), LEDs with doped barriers outperform the reference LEDs even though the trend is reversed for LEDs with lower indium composition (13.5%). In conclusion, despite the trade-off of higher SRH coefficients, doped barriers are shown to be effective in reducing the internal electric field and increasing the recombination coefficients.

42 ENGINEERING↗
DOE OSTI2024

Optical analysis of III-nitride micro-light-emitting diodes with different sidewall treatments at low current density operation

Here, in this work, the optical efficiency of III-nitride blue micro-LEDs (μLEDs) ranged from 5 × 5 to 60 × 60 μm 2 with different sidewall treatments at low current density range was investigated. The results showed dielectric sidewall passivation using atomic layer deposition (ALD) has superior optical enhancement compared to conventional RF sputtering, where most of the enhancement occurred at low current density range. Additionally, the use of ALD sidewall passivation and chemical treatment offered significant efficiency improvement for different sizes of μLEDs at operating less than 1 A cm −2 and the devices without sidewall treatments did not emit light. The effect of sidewall treatments to the effective Shockley–Read–Hall (SRH) nonradiative recombination coefficient, or the effective A coefficient from the ABC model, was estimated. The effective SRH nonradiative recombination coefficient was suppressed by two orders of magnitude for devices with sidewall treatments compared to devices without sidewall passivation.

Wong, Matthew S.↗
DOE OSTI2022

Geometric and doping effects on radiative recombination in thin-film near-field energy converters

Modeling radiative recombination is crucial to the analysis of radiative energy converters. In this work, a local radiative recombination coefficient is defined and derived based on fluctuational electrodynamics that is applicable to thin-film cells in both the near field and far field. The predicted radiative recombination coefficient of an InAs cell deviates from the van Roosbroeck–Shockley relation when the thickness is less than 10 µm, and the difference exceeds fourfold with a 10 nm film. The local radiative recombination coefficient is orders of magnitude higher when an InAs cell is configured in the near field. The local radiative recombination coefficient reduces as the doping level approaches that of a degenerate semiconductor. The maximum output power and efficiency of a thermoradiative cell would be apparently overpredicted if the electroluminescence coefficient defined in this paper were taken as unity for heavily doped semiconductors.

Feng, Dudong↗
DOE OSTI2020

Plasma decay in hydrocarbons and hydrocarbon- and H 2 O-containing mixtures excited by high-voltage nanosecond discharge at elevated gas temperatures

Plasma decay after a high-voltage nanosecond discharge was experimentally and numerically studied in pure hydrocarbons (C 2 H 6 and C 3 H 8 ), and H 2 O:N 2 and C 3 H 8 :O 2 mixtures for pressures in the range 2–4 Torr and gas temperatures from 300 to 600 K. In a stoichiometric C 3 H 8 :O 2 mixture, plasma decay was also studied in a repetitively pulsed discharge for varing numbers of discharge pulses (varying degrees of fuel oxidation). The rate of plasma decay was determined from the temporal evolution of electron density measured using the microwave interferometer. It was observed that gas heating to 600 K leads to a decrease in the rate of plasma decay in all cases. The effect of heating on plasma decay was most profound in the H 2 O:N 2 mixture (after a single discharge pulse) and in the C 3 H 8 :O 2 mixture for high degrees of fuel oxidation. A kinetic scheme was developed to numerically simulate the plasma decay in hydrocarbons and combustible mixtures. Numerical analysis showed that, under the conditions studied, plasma decay was controlled by dissociative electron recombination with simple molecular and cluster ions. Gas heating led to a decrease in the rate of the electron-ion recombination and the rate of conversion of molecular ions to cluster ions. As a result, the gas temperature increase caused a decrease in the fraction of cluster ions for which the recombination coefficients are an order of magnitude higher than the recombination coefficients for molecular ions. The influence of gas heating on the decrease of the amount of cluster ions was more important when the ion composition was dominated by hydrated H 3 O + (H 2 O) k ions. The rates of the formation of these ions are extremely sensitive to any variations in gas temperature. A result, in agreement with our observations, gas heating led to an anomalous decrease in the rates of plasma decay in the H 2 O:N 2 mixture, as well as in the C 3 H 8 :O 2 mixture when H 2 O molecules were produced due to fuel oxidation.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Comprehensive Study of Carrier Recombination in High‐Efficiency CdTe Solar Cells Using Transient Photovoltage

Cadmium telluride (CdTe) solar cells represent a commercially successful photovoltaic technology, with an annual production capacity approaching 20 GW. However, improving the open-circuit voltage (V OC ) remains challenging. This study aims to deepen the understanding of charge carrier recombination in CdTe solar cells and to explore alternative dynamical characterization methods that address the limitations found in conventionally used time-resolved photoluminescence for CdTe solar cells. Transient photovoltage and transient photocurrent techniques are utilized to investigate charge carrier dynamics under conditions resembling real-world solar cell operation. The results reveal that an effective nonradiative recombination lifetime of 580 ns dominates the charge dynamics at VOC values below 850 mV. Above this threshold, radiative recombination becomes significant, with a radiative recombination coefficient of 1.1 × 10 −9 cm 3 s −1 . Additionally, the stationary charge carrier density at 1 sun is determined to be around 1 × 10 14 cm −3 . By accurately determining both radiative and nonradiative recombination, this work provides a comprehensive understanding of carrier dynamics in high-performing CdTe devices and paves the way for improving the V OC and performance of CdTe solar cells.

CdTe solar cells↗
DOE OSTI2025

Unusually Strong Near‐Infrared Photoluminescence of Highly Transparent Bulk InSe Flakes

Abstract Bulk γ‐InSe has a direct bandgap of 1.24 eV, which corresponds to near infrared wavelengths ( λ = 1.0 µm) useful in optoelectronic applications from biometric detectors to silicon photonics. However, its potential for optoelectronic applications is largely untapped due in part to the lack of quantitative studies of its optical properties. Here, the unusually low absorptance and high photoluminescence quantum efficiency of single‐crystalline InSe flakes with thickness in the hundreds of nanometers are studied. InSe emits brightly at room temperature from its direct bandgap with a peak photoluminescence quantum yield (PLQY) of 20%, despite displaying indirect bandgap like low absorption coefficient due to the symmetry of its crystal structure. By performing pump‐dependent PLQY measurements, the radiative and nonradiative recombination coefficients are extracted, including the Shockley‐Read‐Hall and Auger coefficients. Finally, a proof‐of‐concept alternating current electroluminescent device at low temperature is demonstrated to show the promise of InSe in optoelectronic technology such as highly transparent, bright NIR light sources.

Geng, Jamie↗
DOE OSTI2026

First-principles theory of direct-gap optical emission in hexagonal Ge and its enhancement via strain engineering

The emergence of hexagonal Ge (2H-Ge) as a candidate direct-gap group-IV semiconductor for Si photonics mandates a rigorous understanding of its optoelectronic properties. Theoretical predictions of a “pseudodirect” band gap, characterized by weak oscillator strength, contrast with a claimed high radiative recombination coefficient 𝐵 comparable to conventional (cubic) InAs. We compute 𝐵 in 2H-Ge from first principles and quantify its dependence on temperature, carrier density, and strain. For unstrained 2H-Ge, our calculated spontaneous emission spectra corroborate that measured photoluminescence corresponds to direct-gap emission, but with 𝐵 being approximately three orders of magnitude lower than in InAs. We confirm a pseudodirect-to-direct-gap transition under ∼2% [0001] uniaxial tension, which can enhance 𝐵 by up to 3 orders of magnitude, making it comparable to that of InAs. Beyond quantifying the strong enhancement of 𝐵 via strain engineering, our analysis suggests the dominance of additional, as-yet unquantified recombination mechanisms in this nascent material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Repetitively pulsed nanosecond discharge plasma decay in propane–oxygen gas mixture in the presence of a heating electric field

Plasma decay in the afterglow of a repetitively pulsed nanosecond discharge in a stoichiometric propane–oxygen mixture was experimentally investigated when a weak heating DC electric field was applied and in its absence. The discharge was ignited at room gas temperature and a pressure of 1–2 Torr and was characterized by low specific energy inputs (<0.004 eV per molecule in one pulse). Using microwave interferometry, the temporal evolution of the electron density during plasma decay was studied, and the effective recombination coefficients were obtained from data processing. It was shown that the rate of plasma decay behaved in a non-monotonic manner with increasing degree of propane oxidation; at first the decay rate grew, then passed through a maximum, fell and saturated in the limit of a large (~2000) number of pulses. In this limit, the effect of the heating DC electric field on the plasma decay decreased with approaching chemical equilibrium. Numerical simulation of the observed effects was performed for low and high oxidation degrees of propane taking into account changes in the composition of positive ions in the plasma. Good agreement was obtained between measurements and calculations of the electron density during plasma decay in these cases. Here it was shown that the formation of cluster ions in the discharge afterglow plays a fundamental role. The plasma decay was controlled by electron recombination with hydrocarbon cluster ion at low oxidation degree of propane and with water cluster (hydrated) ions at high oxidation degree. A hypothesis was proposed to explain the observed nonmonotonic behavior of the plasma decay rate with an increase in the propane oxidation in the discharge, based on the formation of hydrated hydrocarbon ions C x H y + (H 2 O) k at moderate oxidation degrees.

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

Atomic and ionic hydrogen flux probe for quantitative in-situ monitoring of hydrogen recycling

A new combination diagnostic as a hydrogen recycling monitor in harsh conditions is proposed. Combining permeation membrane probe with a Langmuir probe provides a possibility to measure both atomic and ionic hydrogen fluxes to plasma facing components. A brief overview of permeation probes is given. The range of measurable H fluxes is from 10 16 to more than 10 20 H m –2 s –1 . Time response of the permeation probe is ~ 0.1–0.5 s. A method to address disadvantages of permeation probes is proposed. This includes an introduction of a preparation chamber for Ar-plasma cleaning of the membrane and absolute calibration with a visible spectroscopy. The hydrogen recombination coefficient, evaluated in such calibration, is k u = 5.9 × 10 –30 m 4 s –1 , which agrees well with previous research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Dynamics of deuterium retention and desorption from plasma-facing materials in fusion reactor-relevant conditions

Hydrogen isotopes retention and desorption during and after discharges in fusion devices are still not well understood due to the complex device conditions and limitations of in-situ diagnostics and measurements. Here, we simulated well-diagnosed recent experiments at the DIII-D facility to benchmark our ITMC-DYN integrated package of modeling deuterium diffusion, retention, and desorption during and after D discharge irradiation. Modeling results were compared with detail experimental data of D desorption fluxes for various irradiation conditions. We predicted the temporal evolution of free and trapped D distribution in tungsten (W) plasma-facing material (PFM). Effects of key parameters namely diffusion coefficient, recombination rate, trapping energies against different defect types, were examined in these simulations. Existing experimental data of these parameters in literature varies significantly which makes it harder to identify key mechanisms and physics responsible for hydrogen isotope retention and desorption. The purpose of this work is to accurately simulate recent well-diagnosed reactor experiments given the uncertainties in such parameters and identify mechanisms responsible for the retention and desorption. We implemented the best identified diffusion, recombination, and trapping parameters in ITMC-DYN package that integrate both various collisional and thermal processes. We predicted, for example, that sample cooling between discharges in DIII-D operations can significantly affect the spatial distribution of trapped D in W under reactor irradiation conditions. Correct prediction of desorption spectra from samples irradiated during 10 DIII-D discharges showed that up to 35% of D can be retained in high binding energy defects such as vacancy clusters or voids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Impact of quantum well thickness on efficiency loss in InGaN/GaN LEDs: Challenges for thin-well designs

We investigate the impact of quantum well (QW) thickness on efficiency loss in c-plane InGaN/GaN LEDs using a small-signal electroluminescence technique. Multiple mechanisms related to efficiency loss are independently examined, including injection efficiency, carrier density vs current density relationship, phase space filling, quantum-confined Stark effect, and Coulomb enhancement. An optimal QW thickness of around 2.7 nm in these InGaN/GaN LEDs was determined for QWs having constant In composition. Despite improved control of deep-level defects and lower carrier density at a given current density, LEDs with thin QWs still suffer from an imbalance in enhancement effects on the radiative and intrinsic Auger–Meitner recombination coefficients. The imbalance in enhancement effects results in a decline in internal quantum efficiency and radiative efficiency with decreasing QW thickness at low current density in LEDs with QW thicknesses below 2.7 nm. Here, we also investigate how LED modulation bandwidth varies with QW thickness, identifying the key trends and their implications for device performance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Role of the junction voltage on the overflow current in light-emitting diodes

Quantum-well (QW)-based light emitters, such as light-emitting diodes (LEDs) and lasers, of various semiconductor materials experience a reduction in their efficiency when operating at higher temperatures, a phenomenon referred to as “thermal droop.” Among the various claims on the origins of thermal droop, an increased overflow current with increasing temperatures is a common contender. Since overflow of carriers can only occur when the junction voltage 𝑉 Junction approaches the built-in voltage 𝑉 BI of any diodes, we develop a simple method relating the difference between 𝑉 Junction and 𝑉 BI to approximate the upper limit of overflow occurring in QW-based light-emitting diodes. The measured difference between 𝑉 Junction and 𝑉 BI of state-of-the-art commercial blue and green In⁢Ga⁢N-based LEDs at temperatures up to ∼450 K suggests negligible overflow. To further experimentally verify the absence of overflow, we perform temperature-dependent electron emission spectroscopy on the same commercial blue and green LEDs and find no evidence of thermally enhanced overflow carriers up to ∼450 K. In agreement with our claims that 𝑉 Junction must approach 𝑉 BI for overflow to occur, two-dimensional temperature-dependent electrical simulations of violet, blue, and green LEDs including alloy disorder and V-defects demonstrate that overflow can be significant in violet LEDs, where the small band offset between the In⁢Ga⁢N QW and Ga⁢N cladding layers due to the larger QW bandgap requires larger 𝑉 Junction to reach standard operating current densities, thereby approaching 𝑉 BI . By contrast, simulations indicate that overflow is negligible in blue and green LEDs, whose smaller QW bandgaps result in smaller quasi-Fermi levels difference to reach significant carrier injection, resulting in a 𝑉 Junction much smaller than 𝑉 BI up to large operating current densities. Considering that overflow is negligible in blue and longer-wavelength LEDs, and our observations of the large thermal droop occurring at low current densities, where Shockley-Read-Hall (SRH) recombination dominates, we conclude that thermally enhanced SRH processes are the most significant contributor to thermal droop. Finally, we also simulate the carrier densities in the different QWs of a multiple-QW LED and observe a reduction in the total carrier density at a given operating current density, which results in a decrease in the total Auger-Meitner current of the LED from just the thermally enhanced carrier redistribution among QWs without taking any possible additional temperature dependence of their recombination coefficients. Taking all this into account, minimizing thermal droop effects in LEDs can be achieved by a reduction in defect density, using wider band gap p-n junction-defining cladding layers, and operating at higher currents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Large-scale efficient mid-wave infrared optoelectronics based on black phosphorus ink

The mid-wave infrared (MWIR), ranging from 2 to 5 micrometers, is of substantial interest for chemical sensing, imaging, and spectroscopy. Black phosphorus (bP)–based MWIR light emitters and detectors have been shown to outperform the state-of-the-art for commercial devices due to the low Auger recombination coefficient of bP. However, the scalability of these devices remains a challenge. Here, we report a bP ink formula that preserves the exceptional MWIR optoelectronic properties of bP to deposit centimeter-scale, uniform, and pinhole free films with a photoluminescence quantum yield higher than competing III-V and II-VI semiconductors with similar bandgaps at high excitation regime. As a proof of concept, we use bP ink as a “phosphor” on a red commercial light-emitting diode to demonstrate bright MWIR light emission. We also show that these films can be integrated into heterostructure device architectures with electron and hole selective contacts for direct-injected light emission and detection in MWIR.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Addressing the impact of Lyman opacity in inference of divertor plasma conditions with 2D spectroscopic camera analysis of Balmer emission during detachment in JET L-mode plasmas

The impact of re-absorption of the deuterium Lyman series emission was addressed in inferring divertor plasma conditions from Balmer series emission with 2D spectroscopic camera analysis during detachment in JET L-mode plasmas. The previously presented methodology was amended by modifying the standard photon emission coefficients and ionization and recombination rate coefficients of the ADAS database to consider the re-population of excited states due to Lyman opacity. This resulted in the estimate for the atomic density near the outer strike point to decrease by up to 75% at the onset of detachment at strike point temperatures of T e,osp ≈ 1.0–3.0 eV with respect to the strongly overestimated previously obtained values, whereas the estimated electron temperature and density were unaffected by the opacity correction within the scatter of the data and only a moderate reduction by up to 20% was observed in the estimate for the molecularly induced fraction of the Balmer emission. No noticeable change was seen in the ionization rate, calculated from the estimated outer strike point conditions, due to the decrease in the atomic density estimate compensating for the increased values of the opacity-corrected ADAS rate coefficients for ionization. In detached conditions at T e,osp ≈ 0.5–1.0 eV, 25%–35% lower recombination rates were provided by the opacity-corrected model. The observed effects on the experimental analysis were supported by a corresponding synthetic analysis based on EDGE2D-EIRENE simulations.

Balmer emission↗
DOE OSTI2020

The charge reduction rate for multiply charged polymer ions via ion–ion recombination at atmospheric pressure

The charge reduction of multiply charged macromolecular ions via recombination with small ions in the gas phase is commonly employed to modulate the charge on macromolecules prior to mass spectrometric and mobility analyses. We employ a recently developed continuum-Molecular Dynamics (MD) calculation approach to determine the recombination rate coefficient of multiply charged (1 to 7 excess positive charged) polyethylene glycol ions (mass of 4600 Da) with smaller singly charged anions, modeled as NO 2 – ions. The continuum-MD approach accounts explicitly for the influence of the background gas on the recombination process, accounts explicitly for ion translational, vibrational, and rotational motion, and enables recombination rate coefficient calculation in nitrogen near atmospheric pressure, wherein neither low pressure nor high pressure recombination theories are strictly applicable. Continuum-MD simulations yield recombination rate coefficients near 3.9 × 10 –14 m 3 s –1 for singly charged ions, increasing to 3.0 × 10 –11 m 3 s –1 for the +7 ion. Pre-existing collision rate coefficient expressions for rigid ions are found to be within a factor of 2–5 of calculations for all charge states, but their use requires knowledge of an appropriate collision distance, which is not well-defined for flexible polymer ions. Continuum-MD-inferred rate coefficients are incorporated into a model of charge reduction, and the charge state distribution versus anion concentration determined with it is compared to charge reduction measurements made via atmospheric pressure differential mobility analysis. Furthermore, good agreement is observed between simulations and experiments; although results are extremely sensitive to the recombination rate coefficients, experimental results are bound by models utilizing rates within a factor of 2 (0.5–2.0×) of the continuum-MD rates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Temperature dependence of vacancy/self-interstitial recombination volumes in copper

We use molecular dynamics to calculate rate coefficients for recombination of vacancies with self-interstitial atoms (SIAs) in Cu at temperatures from 300 to 700 K. From these results, we calculate vacancy/SIA recombination volumes and find that they decrease from around 290 (where is one atomic volume) at 300 K to 160 at 500 K and above. By counting the number of distinct pathways by which a stable SIA may migrate to a site of spontaneous recombination with a nearby vacancy, we find a lower bound estimate of 168 for the recombination volume. We furthermore rationalize its temperature dependence based on differences between the activation energies for recombination and SIA migration. Furthermore, our work sheds light on the fundamental nature of the recombination volume and provides information that may be incorporated into multiscale models of radiation response in solids.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of trap-assisted and intrinsic Auger–Meitner recombination on efficiency droop in green InGaN/GaN LEDs

Here, we study the impact of deep-level defects on trap-assisted Auger–Meitner recombination in c-plane InGaN/GaN LEDs using a small-signal electroluminescence (SSEL) method and deep-level optical spectroscopy (DLOS). Carrier dynamics information, including carrier lifetime, recombination rate, and carrier density, is obtained from SSEL, while DLOS is used to obtain the deep-level defect density. Through fitting the nonradiative recombination rates of wafers with different deep-level defect densities, we obtain the Shockley–Read–Hall (SRH) and trap-assisted Auger–Meitner recombination (TAAR) coefficients. We show that defect-related nonradiative recombination, including both SRH and TAAR, accounts for a relatively small fraction of the total nonradiative recombination, which is dominated by intrinsic Auger–Meitner recombination. The interplay between carrier localization and Coulomb enhancement has a different impact on radiative and intrinsic Auger–Meitner recombination. Evidence is presented that the imbalance between the change of radiative and intrinsic Auger–Meitner recombination is the primary cause of the efficiency droop at high carrier densities in the samples studied.

36 MATERIALS SCIENCE↗