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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 OSTI2020

Stability of Tin-Lead Halide Perovskite Solar Cells

Tin-lead perovskites have low band gaps (1.2 eV - 1.4 eV) that offer complementary absorption spectra to mixed halide perovskites with band gaps in the range of 1.6 eV - 1.85 eV. In combination, tin-lead and mixed halide perovskites can be used to make efficient all-perovskite tandem solar cells. While these can achieve high efficiency, they are hampered by the unproven longterm stability of tin-containing perovskites. We make the first demonstration of tin-lead perovskite solar cells that pass benchmark 1000-hour tests of stability under stressors of heat, light, and atmospheric exposure. We identify that mixed tin-lead perovskites oxidise by a different chemical pathway, one that is much less favourable, than the oxidation pathway followed by pure tin perovskites, making them significantly more stable. Fortuitously, mixed tin-lead perovskites also have band gaps that are close to ideal for the rear cell of an all-perovskite monolithic two-junction tandem. Beyond selecting the composition of the perovskite to be one that has inherently suppressed tendency to oxidise, we also fabricate a novel heterojunction-based architecture that eliminates the commonly used acidic PEDOT:PSS layer, which leads to enhanced stability. By packaging the resulting solar cell in a glass-on-glass package with a pliable low-elastic-modulus polyolefin encapsulant and a butyl rubber edge seal, we also demonstrate that the low band gap perovskite solar cell that passes the IEC damp heat test for thin film solar cells - a milestone that demonstrates the removal of a significant impediment to the commercialization of high efficiency perovskite tandem solar cells.

14 SOLAR ENERGY↗
DOE OSTI2025

Ink-based laser powder bed fusion of barium titanate

Barium titanate (BTO) is a lead-free functional ceramic that is widely used in sensors, transducers, and actuators. The increasing demand for complex geometries and quick design iterations motivates the use of additive manufacturing techniques. Laser powder bed fusion (L-PBF) additive manufacturing technique enables the net-shape or near-net-shape fabrication of metals and alloys. Ceramic L-PBF remains challenging due to their high melting temperature. Here, to address this challenge, a nanoparticle ink feedstock was incorporated into the L-PBF process to allow low power melting of BTO. Key print parameters (i.e. laser power, scanning speed, and hatching spacing) were optimized to fabricate millimeter-scale BTO parts. The printed BTO samples possessed an inhomogeneous equiaxed-columnar-cellular microstructure. Semiconducting current-voltage behavior was observed in as-printed samples, which was attributed to the creation of oxygen vacancies. The piezoelectric d 33 coefficient was measured to be 4.6 pC/N.

Dielectrics↗
DOE OSTI2023

Interface formation and Schottky barrier height for Y, Nb, Au, and Pt on Ge as determined by hard x-ray photoelectron spectroscopy

Development of a robust, thin, hole-blocking (n+) contact on high purity germanium (HPGe) has been the main challenge in the development of Ge-based radiation sensors. Yttrium has been reported to be a viable hole-blocking contact on HPGe, and detectors with low leakage have been fabricated. Niobium has also been considered as a potential hole-blocking contact due to its low work function. Here, we investigate interface chemistry and the Schottky barrier height of Y and Nb, as well as electron-blocking contacts Au and Pt, on Ge(100) surfaces using hard x-ray photoelectron spectroscopy. We find a barrier height of 1.05 ± 0.10 eV for Y/HPGe, confirming the formation of a hole-blocking barrier. For Nb/HPGe, the barrier height of 0.13 ± 0.10 eV demonstrates that the interface is not hole-blocking. The Schottky barrier of Au and Pt was found to be 0.45 ± 0.10 and 0.51 ± 0.10 eV, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Selective-Area Remote Epitaxy of ZnO Microrods Using Multilayer–Monolayer-Patterned Graphene for Transferable and Flexible Device Fabrications

Here, selective-area remote epitaxy (SA-REpi) is demonstrated for fabricating mechanically releasable position-controlled ZnO microrod (MR) arrays from donor wafers in an arrayed form. Intaglio-patterned graphene, consisting of basal single-layer graphene (SLG) overlayered with multilayer graphene (MLG) patterned with perforated holes, is transferred onto a GaN/Al 2 O 3 wafer on which the hydrothermal synthesis is performed for growing ZnO MRs. The basal SLG area exposed through the MLG pattern yields ZnO MRs, whereas the MLG plateau inhibits the growth. The noncovalent remote epitaxial heterointerface enables the release of the MR overlayer in the arrayed form, and the original source wafer is refurbished for reproducibly repeating the SA-REpi. Density-functional theory calculations suggest that localized surface charge density is induced on the surface of SLG by the underlying GaN across ultrathin SLG, which possibly provides a driving force for precursor adatoms and the following remote epitaxy of ZnO. In contrast, the induction of the charge density redistribution does not clearly occur through MLG; so, that keeps the surface of MLG nearly charge-neutral. The diameter and spacing of ZnO MRs are controlled in a designed way by changing the pattern geometries. High-resolution scanning transmission electron microscopy reveals the remote heteroepitaxial relationship at an atomic level. The remote epitaxy is expected to provide an ideal platform to transfer the addressable spatial arrays of nano- or micro-architecture semiconductor components to arbitrary target surfaces directly after the growth without the assembly procedures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Transferable GeSn ribbon photodetectors for high-speed short-wave infrared photonic applications

We experimentally demonstrate a low-cost transfer process of GeSn ribbons to insulating substrates for short-wave infrared (SWIR) sensing/imaging applications. By releasing the original compressive GeSn layer to nearly fully relaxed state GeSn ribbons, the room-temperature spectral response of the photodetector is further extended to 3.2 μm, which can cover the entire SWIR range. Compared with the as-grown GeSn reference photodetectors, the fabricated GeSn ribbon photodetectors have a fivefold improvement in the light-to-dark current ratio, which can improve the detectivity for high-performance photodetection. The transient performance of a GeSn ribbon photodetector is investigated with a rise time of about 40 μs, which exceeds the response time of most GeSn (Ge)-related devices. In addition, this transfer process can be applied on various substrates, making it a versatile technology that can be used for various applications ranging from optoelectronics to large-area electronics. These results provide insightful guidance for the development of low-cost and high-speed SWIR photodetectors based on Sn-containing group IV low-dimensional structures.

42 ENGINEERING↗
DOE OSTI2026

Understanding Photovoltage Deficits in Electrochemically Grown Tin Sulfide (SnS) Thin-Film Photovoltaic Devices

Tin­(II) sulfide (SnS) is an earth-abundant semiconductor with a direct optical bandgap of ca. 1.1 eV, which makes it a promising absorber material for thin-film photovoltaic (PV) devices. However, existing devices have significant photovoltage deficits, which may be related to the anisotropic structure of the layered Herzenbergite SnS crystal structure. Here, we explore electrochemical deposition as a near room temperature path to oriented SnS crystal films on Mo and FTO substrates and employ vibrating Kelvin probe surface photovoltage (SPV) spectroscopy and J–V measurements to identify conversion losses in them. According to grazing-incidence X-ray diffraction and SEM, the SnS films consist of crystalline microplates with preferred orientation in the [111] and [001] directions. The bare SnS films produce only small and irreversible surface photovoltage signals, due charge trapping and recombination at the SnS surfaces, but addition of a CdS buffer layer lowers the charge recombination rate by 2 orders of magnitude and increases both the photovoltage and its reversibility due to the formation of a p-SnS/n-CdS junction. According to SPV, the FTO/SnS back interface (but not the Mo/SnS interface) forms a detrimental p–n junction that hinders hole transfer. Additional shunting through the relatively open microcrystal SnS layers and a lower conductivity of the FTO substrate explain the low power conversion efficiencies of the final devices (0.18 and 0.10% for the Mo and FTO substrates). Altogether, this work establishes a low-temperature path for the fabrication of crystalline SnS film-based solar cells and identifies the bottlenecks that limit high photoconversion efficiency.

deposition↗
DOE OSTI2025

Green solvent-processable poly(3-hexylthiophene) derivative maintains high hole mobility in diodes

The development of environmentally sustainable fabrication methods for organic solar cells (OSCs) is critical to enable their large-scale adoption. Conventional solution-processed OSCs often rely on halogenated, toxic solvents that pose health and environmental risks, limiting their scalability. This is because π-conjugated polymers tend to have a low solubility in non-halogenated solvents. A common strategy to enhance solubility in alternative solvents is through the incorporation of polar solubilizing groups, often on every repeat unit of at least one monomer. However, too many polar side chains tend to disrupt favorable morphology and decrease charge transport properties. In this study, we demonstrate that a minimal degree of side chain functionalization can improve green solvent processability while preserving electrical performance. We tested this hypothesis using our previously reported random copolymer derivative of poly(3-hexylthiophene) (P3HT) where ∼10 mol% of the side chains are 6-pentanoatehexyl side chains. We find that this low-level functionalization significantly broadens the solvents that can be used to process P3HT to less toxic solvents such as o-xylene and anisole. Furthermore, the copolymer processed from greener solvents showed high hole mobilities (∼10⁻ 3 cm 2 /Vs by the Space-Charge Limiting Current method in diodes), comparable to P3HT films cast from toxic chloroform. These findings suggest that minimal side-chain modification is a viable strategy for expanding green solvent compatibility while preserving electrical performance, paving the way toward more sustainable organic semiconductor designs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Accumulation-Type Ohmic van der Waals Contacts to Nearly Intrinsic WSe 2 Nanosheet-Based Channels: Implications for Field-Effect Transistors

We report the fabrication of ohmic van der Waals (vdW) contacts to nearly intrinsic WSe 2 nanosheet-based channels in field-effect transistors (FETs) using degenerately p-doped MoS2 (p + -MoS2) as a contact metal. We demonstrate that accumulation-type ohmic contacts and the high device performance are achievable without electrostatically gating the drain/source contact regions despite the nearly intrinsic nature of WSe 2 . Back-gated WSe 2 FETs with p + -MoS 2 bottom contacts (which screen the back-gate electric field in the drain/source regions) exhibit linear output characteristics, a high on/off ratio of 10 8 , and a high two-terminal field-effect mobility up to ~200 cm2 V –1 s –1 at room temperature. Our theoretical modeling reveals that the p + -MoS 2 /WSe 2 vdW junction behaves like a metal/semiconductor ohmic contact signified by a vanishingly thin space-charge region of ~1 nm on the p + -MoS 2 side and a substantial accumulation layer of free holes on the WSe 2 side, which is further verified by additional temperature-dependent and dual-gated measurements of WSe 2 FETs. We attribute the formation of accumulation-type ohmic contacts free of a Schottky barrier to the near absence of Fermi-level pinning at the vdW interface and the work function of p + -MoS 2 being larger than the ionization energy of WSe 2 . This study represents an important step toward achieving low-resistance ohmic contacts to two-dimensional (2D) semiconductors by eliminating the Fermi-level pinning effects, which is expected to have significant implications for next-generation 2D semiconductor-based nanoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Accelerated Scaling to Rapid Open-Air Fabrication of Durable Perovskite Solar Modules

The goals of this SETO project (DE-EE0008559, Accelerated Scaling to Rapid Open-Air Fabrication of Durable Perovskite Solar modules) are to address the principal challenges towards the successful commercialization of perovskite solar modules utilizing scalable, high-throughput open-air spray deposition. The successful outcome of the project will provide the foundation of an all open-air spray deposited perovskite solar module with hole transport layer (HTL), perovskite, electron transport layer (ETL), and barrier layer development while establishing a fundamental understanding of perovskite device behavior under accelerated aging conditions. Through this program, we have made significant progress towards a commercializable pathway for perovskites. (1) We’ve demonstrated the successful open-air deposition of perovskite and transport layer materials. These deposition methods were chosen for their inherent scalability, and open-air processing enables a significant reduction in processing costs. These methods are also compatible with high throughputs, demonstrating the fastest perovskite film deposition at these performance levels. (2) Development of a unique all-fiber laser scribing procedure provides a high-performance, low-cost method for further improvements in scalability. (3) Our group has also placed a unique emphasis on device stability. The development of testing standards for perovskite modules is required to thoroughly evaluate potential candidates for commercialization, and we’ve taken inspiration from current industry standards to provide an honest insight into the performance and reliability of our devices. (4) An extensive cost model detailing the specific contributions of each device layer and production component provides the most thorough evaluation of any perovskite technology against conventional silicon and compound semiconductor solar devices. The cost model is a critical advancement that will provide the foundation for evaluating the levelized cost of energy (LCOE) of this technology.

14 SOLAR ENERGY↗
DOE OSTI2025

Redox Couples Control Band Bending, Photovoltage, and Quasi-Fermi Levels in Tungsten Oxide (WO 3 ) Photoanodes

Tungsten oxide (WO 3 ) is a well-known photoanode and photocatalyst for photoelectrochemical (PEC) water oxidation. Because the compound has a deep valence band, it can facilitate the oxygen evolution reaction without added cocatalysts, and it can drive the oxidation of species with much higher electrochemical potentials, including the conversion of water to hydrogen peroxide, sulfate to persulfate, and iodate to meta-periodate. Here, we use the liquid vibrating Kelvin probe surface photovoltage (liquid VK-SPV) technique in combination with open circuit potential (OCP) and photoelectrochemical (PEC) scans to assess the possibility of reaching such oxidizing potentials in aqueous electrolytes and at open circuit. Here, this is done by mapping the quasi-Fermi levels of electrons and holes at the interfaces as a function of the light intensity. Nanostructured WO 3 photoelectrodes for this purpose were fabricated by thermal annealing of a tungstic acid solution on fluorine-doped tin oxide. Electrochemical measurements are conducted at open circuit and 400 nm LED light illumination in electrolytes containing fast (O 2 /H 2 O 2 ), slow (O 2 /H 2 O), and very oxidizing (NaIO 4 /NaIO 3 ) redox couples. Photovoltage values scale with the light intensity and with the built-in potential for each redox couple and reach values up to 0.61 V under 20 mW cm –2 illumination for the NaIO 4 electrolyte. This shows that the photoelectrodes behave like Schottky-type diodes whose maximum possible energy output is determined mainly by the built-in voltage of each junction. For slow redox couples, the quasi-Fermi level of the holes increases with light intensity due to hole accumulation at the WO 3 –liquid interface. For example, for the O 2 /H 2 O electrolyte, interfacial hole accumulation and removal occur on the 90–300 s time scale. For the fast hole acceptor H 2 O 2 , on the other hand, the quasi-Fermi level of the photoholes is pinned to the electrochemical potential of the O 2 /H 2 O 2 couple. This limits the energy conversion efficiency of the electrode. Overall, these results reveal the influence of charge transfer thermodynamics and kinetics on the photovoltage of WO 3 . Furthermore, the work further establishes VK-SPV as a contactless method to observe the photovoltage, carrier dynamics, and quasi-Fermi levels of semiconductor-liquid junctions.

Electrodes↗
DOE OSTI2021

Spatially resolved x-ray detection with photonic crystal scintillators

We study the self-collimation phenomenon in photonic crystals (PhC) of wide bandgap materials for ultra-fast and high spatial resolution x-ray detection. We work on various heavy inorganic scintillators: BaF 2 , GaN, ZnO, CsI:Tl, NaI:Tl, LYSO, WO 4 compounds, and plastic scintillators. Conventional scintillator detectors do not rely on a direct detection mechanism; hence, they require intricate design and fabrication processes. We offer a PhC design to observe self-collimation phenomena and overcome the ongoing spatial resolution challenges with these types of materials. We investigate the photonic band diagrams and iso-frequency contours. Fourier transforms based on finite-difference time-domain and frequency domain simulations are done for verifying and analyzing the self-collimation with the selected material. Light extraction efficiency at the PhC–air interface, depending on the truncation distance from the excitation point, is measured. Beam divergence values are calculated at 1 mm propagation distance. The vertical field profiles are obtained to observe the confinement. For the spatial resolution analysis, cross-sectional beam profiles have been examined. Furthermore, Gaussian envelopes are fitted to beam profiles for a consistent data analysis, and full-width-at-half-maximum values are considered. As a result, we theoretically prove and demonstrate the spatially resolved x-ray detection at the sub-micrometer level for a wide range of scintillator materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High Efficiency InGaN LEDs Emitting in Green, Amber and Beyond (Final Report)

This project focuses on developing high efficiency light emitting diodes (LEDs) with green, amber, and longer wavelengths using two compatible material systems based on III-nitride and II-IV-nitride semiconductor heterostructures. The proposed approach uses low-indium-content InGaN and ZnGeN 2 or ZnSnN 2 heterostructure quantum wells (QWs) as the active regions for high efficiency green and amber LEDs, and therefore to advance high efficiency color-mixed white LED technology. This approach takes advantage of the increased flexibility, afforded by the incorporation of the II-IV-nitrides into the III-nitride layers, to tune the QW active region to lower the emission wavelengths and to increase the electron-hole wave function overlap. This strategy paves a new way to extend the InGaN QW LED emission wavelength without using high-indium-content InGaN. An industrially preferable metalorganic chemical vapor deposition (MOCVD) method was used to develop the growth of ZnGeN 2 and ZnSnN 2 that are compatible with the InGaN growth. The unique dual chamber MOCVD instrument at OSU was used in this project. This program created an opportunity for the two institutions (The Ohio State University and Case Western Reserve University) with complementary expertise to perform this work. Two graduate students (Md Rezaul Karim (OSU) and Benthara Hewage Dinushi Jayatunga (CWRU)) gained experience in MOCVD growth and various characterization methods including scanning electron microscopy, x-ray diffraction spectroscopy, x-ray photoemission spectroscopy, Hall measurements, cathodoluminescence and photoluminescence. Both students successfully defended their PhD dissertations in April/May 2021. Both Karim and Jayatunga have joined Intel as engineers in June/July 2021. Another two graduate students Kaitian Zhang (OSU) and Chenxi Hu (CWRU) joined the project team since spring 2021 to continue on this project. They were trained on MOCVD epitaxy of InGaN QWs and materials characterization including SEM, AFM, PL, CL, XRD, Hall measurements and electroluminescence. A third student, Vijay Gopal Thirupakuzi Vangipuram (OSU), who joined the group in fall 2021 to perform LED fabrication and characterization. The key research accomplishments of the project include: (1) Successful development of MOCVD epitaxy of single crystalline ZnGeN 2 and ZnSnN 2 . MOCVD growth parameters that determine the stoichiometry of ZnGeN 2 and ZnSnN 2 films were identified. (2) Experimentally determined the band offsets between GaN/ZnGeN 2 and GaN/ZnGaSnN 2 hetero-interfaces, which agree very well with the theoretical predictions. (3) Demonstrated the incorporation of thin ZnGeN 2 layer in InGaN QWs. Proof-of-concept of the InGaN-ZnGeN 2 QW design demonstrated as much as 80 nm of red shift without increasing In composition or QW thickness. (4) InGaN/ZnGeN 2 QWs emitting at 480 nm achieved IQE of 47%. Resulted from this project, 7 journal articles were published, and 9 conference papers were presented.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimizing performance and yield of vertical GaN diodes using wafer scale optical techniques

Abstract To improve the manufacturing of vertical GaN devices for power electronics applications, the effects of defects in GaN substrates need to be better understood. Many non-destructive techniques including photoluminescence, Raman spectroscopy and optical profilometry, can be used to detect defects in the substrate and epitaxial layers. Raman spectroscopy was used to identify points of high crystal stress and non-uniform conductivity in a substrate, while optical profilometry was used to identify bumps and pits in a substrate which could cause catastrophic device failures. The effect of the defects was studied using vertical P-i-N diodes with a single zone junction termination extention (JTE) edge termination and isolation, which were formed via nitrogen implantation. Diodes were fabricated on and off of sample abnormalities to study their effects. From electrical measurements, it was discovered that the devices could consistently block voltages over 1000 V (near the theoretical value of the epitaxial layer design), and the forward bias behavior could consistently produce on-resistance below 2 mΩ cm 2 , which is an excellent value considering DC biasing was used and no substrate thinning was performed. It was found that high crystal stress increased the probability of device failure from 6 to 20%, while an inhomogeneous carrier concentration had little effect on reverse bias behavior, and slightly (~ 3%) increased the on-resistance (R on ). Optical profilometry was able to detect regions of high surface roughness, bumps, and pits; in which, the majority of the defects detected were benign. However a large bump in the termination region of the JTE or a deep pit can induce a low voltage catastrophic failure, and increased crystal stress detected by the Raman correlated to the optical profilometry with associated surface topography.

42 ENGINEERING↗
DOE OSTI2020

Exchange-correlation functional challenges in modeling quaternary chalcogenides

The development of next-generation quaternary chalcogenides, such as Cu2ZnSnS4 (CZTS) and Cu2ZnGeS4 (CZGS), for solar energy and thermoelectric applications hinges upon both careful experimentation and accurate quantum mechanical modeling. To address the latter, many have turned to density functional theory (DFT), which offers several choices for the approximate treatment of electron exchange and correlation (XC). Popular XC functionals include the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) and the recently developed strongly constrained and appropriately normed (SCAN) meta-GGA. Extensions of DFT functionals, such as adding a Hubbard U correction and introducing a fraction of the Fock exchange (hybrid functionals), have been used widely to model systems containing 3d metal ions. However, no studies yet have compared comprehensively PBE(+U) and SCAN(+U) in the quality of their predictions of the bulk and defect thermodynamics of quaternary chalcogenides, which play a critical role in device fabrication and performance. Hence, here we calculate the (i) 0 K formation energies of bulk Ge compounds and (ii) neutral defect formation energies including charge-balanced (e.g., CuZn + ZnCu) and charge-imbalanced (e.g., CuSn) combinations of antisites and vacancies in CZTS and CZGS using the PBE, PBE +U, SCAN, SCAN +U, and the hybrid Heyd-Scuseria-Ernzerhof XC frameworks. We find that the formation energies of charge-imbalanced defects are more sensitive to the choice of the XC functional than those of charge-balanced defects, which can be explained by the differences in the extent of penalization of defect-generated delocalized electrons/holes by PBE, PBE +U, SCAN, and SCAN +U. Additionally, our results show that SCAN systematically underbinds Ge-containing compounds, thus highlighting the need for even further improvement of XC functionals. Based on our findings, we recommend the use of SCAN for modeling quaternary chalcogenides because its errors are systematic, and it has the firmest theoretical underpinning. Our work provides guidance for future modeling of quaternary chalcogenides.

14 SOLAR ENERGY↗
DOE OSTI2021

Mitigation of the internal p-n junction in CoS 2 -contacted FeS 2 single crystals: Accessing bulk semiconducting transport

Pyrite FeS 2 is an outstanding candidate for a low-cost, nontoxic, sustainable photovoltaic material, but efficient pyrite-based solar cells are yet to materialize. Recent studies of single crystals have shed much light on this by uncovering a p-type surface inversion layer on n-type (S-vacancy doped) crystals, and the resulting internal p-n junction. This leaky internal junction likely plays a key role in limiting efficiency in pyrite-based photovoltaic devices, also obscuring the true bulk semiconducting transport properties of pyrite crystals. Here, we demonstrate complete mitigation of the internal p-n junction in FeS 2 crystals by fabricating metallic CoS 2 contacts via a process that simultaneously diffuses Co (a shallow donor) into the crystal, the resulting heavy n doping yielding direct Ohmic contact to the interior. Low-temperature bulk transport studies of controllably Co- and S-vacancy doped semiconducting crystals then enable a host of previously inaccessible observations and measurements, including determination of donor activation energies (which are as low as 5 meV for Co), observation of an unexpected second activated transport regime, realization of electron mobility up to 2100 cm 2 V –1 s –1 , elucidation of very different mobilities in Co- and S-vacancy-doped cases, and observation of an abrupt temperaturedependent crossover to bulk Efros-Shklovskii variable-range hopping, accompanied by an unusual form of nonlinear Hall effect. Aspects of the results are interpreted with the aid of first-principles electronic structure calculations on both Co- and S-vacancy-doped FeS 2 . Furthermore, this work thus demonstrates unequivocal mitigation of the internal p-n junction in pyrite single crystals, with important implications for both future fundamental studies and photovoltaic devices

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterization of n-Type Iodine-Doped and Indium-Doped CdTe/Cd-Se-Te Thin Films Fabricated by Close-Spaced Sublimation Epitaxy

In this study, n-type CdTe thin films, specifically iodine-doped CdTe (CdTe:I), indium-doped CdTe (CdTe:In), and indium-doped Cd-Se-Te (CST:In), were synthesized using close-spaced sublimation epitaxy (CSSE). Characterization techniques secondary ion mass spectrometry (SIMS), electron backscatter diffraction (EBSD), Hall-effect measurements, and time-resolved photoluminescence (TRPL) were employed to analyze the chemical, structural, and electronic properties of these materials. The results indicated epitaxial single crystal CSSE films grew on the single crystal substrates, with carrier density ranging from 10^14 - 10^16 cm -3 , and after post-annealing, the minority-carrier lifetimes reach near the radiative limit. Additionally, a preliminary exploration of homojunction structures with an n- type (CdTe:In /CST:In /CdTe:I) /CdTe:P /Cu /Mo configuration was performed. The best device performance was achieved with CdTe:I including CdS aiding in band alignment, resulting in a power conversion efficiency (..eta..) of 2.61% with open circuit voltage (Voc) of 850 mV, fill factor (FF) of 47.8%, and short-circuit current (Jsc) of 6.44 mA/cm 2 . The observed low Jsc and efficiency may be attributed to a buried junction and a poor interface, due to dopant interdiffusion. Consequently, further investigations focusing on interface optimization, diffusion blocking, and reduced recombination through passivation, are crucial to enhancing the efficiency of CSSE CdTe homojunction devices in the future.

cadmium compounds↗
DOE OSTI2022

Effect of oxide layer growth conditions on radiation detection performance of Ni/SiO 2 /epi-4H-SiC MOS capacitors

We report high resolution radiation detection has been demonstrated using Ni/SiO2/n-4H-SiC metal-oxidesemiconductor vertical capacitors fabricated using highly crystalline 4H-SiC epilayers. The oxide layers have been grown thermally using two different approaches: i) in-air, and ii) oxygen-ambience oxidation. The devices fabricated using the former method exhibited dark currents one order of magnitude higher than that in the latter. The observed difference has been attributed to the back-contact series resistance and capacitance. Regardless of the difference in the device parameters, detectors prepared using both of the methods exhibited very high energy resolutions of ≤ 0.5% for 5486 keV alpha particles emitted by an 241Am radioisotope. Capacitance mode deep level transient spectroscopic (DLTS) studies revealed similar type of electrically active defects along with Z1/2 and EH5 deep level defects in both the types of devices. The DLTS scans also revealed positive polarity peaks in these devices which indicate emission from minority carrier trap centers. The activation energy corresponding to the peak was found to be ~1.2 eV which has been assigned to HK3 defects responsible for hole trapping in 4H-SiC. The possibility of appearance of the positive peak due to non-negligible impedance of the back-contact has been ruled out based on the observation that the centroid of the observed peak did not change with detectors having different device parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Computational Fermi Level Engineering and Doping-Type Conversion of Ga2O3 Via Three-Step Processing

Ga2O3 is being actively explored for power electronics, and other applications due to its ultra- wide bandgap and low projected fabrication cost of high-quality crystals. N-type doping of Ga2O3 can be achieved and tuned, but p-type doping faces fundamental obstacles. Successful engineering of Ga2O3 based devices requires critical control of doping density, Fermi level position, providing opportunities for predictive process simulation. We use first-principles defect equilibrium calculations to simulate a 3-step growth- annealing-quench protocol for hydrogen assisted Mg doping in Ga2O3, taking into account the hydrogen- oxygen-water gas phase equilibrium. We predict type conversion to a net p-type regime following O-rich annealing after growth under reducing conditions in the presence of H2. We show that there is an optimal temperature that maximizes the net acceptor density during the equilibrium annealing step for a given Mg doping level. Quenching of non-equilibrium annealed samples then results in a Fermi level EF below mid-gap down to about EV +1.5 eV, creating a significant number of uncompensated neutral MgGa0 acceptors. This type converted Ga2O3 can create significant built-in field in a p-n junction with an adjoining n-type material and could enable vertical MOSFETs.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗