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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Electron scattering mechanisms in polycrystalline sputtered zinc tin oxynitride thin films

Zinc tin nitride (ZnSnN 2 ) is an emerging ternary nitride semiconductor studied for applications in solar cells, light-emitting diodes, and other optoelectronic devices. For all of these applications, the charge carrier mobility is an important property. Yet, the dominant electron scattering mechanisms in ZnSnN 2 are unclear, especially in the presence of oxygen that is often incorporated during thin film sputter deposition of this material. Moreover, there are no experimental reports on the concentration of defects in such polycrystalline sputtered zinc tin oxynitride Zn 1+x Sn 1-x N 2-2x O 2x (ZTNO) thin films. Here, we address both of these questions using temperature-dependent Hall effect measurements of sputtered ZTNO thin films as a function of Zn composition and O content. The measured temperature dependence of the mobility is fitted to scattering on ionized and neutral defects and to grain boundary scattering. The results suggest that ZTNO is a heavily compensated semiconductor, with a high density of neutral defects dominating the electron scattering processes. First principles theoretical calculations indicate that these neutral defects are likely to originate from the abundant Zn Sn -2O N complexes in the ZTNO material. Overall, these results establish the dominant electron scattering mechanisms in polycrystalline sputtered ZTNO and help position this material for future use in optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2018

Perspective: Nonequilibrium dynamics of localized and delocalized excitons in colloidal quantum dot solids

Self-assembled quantum dot (QD) solids are a highly tunable class of materials with a wide range of applications in solid-state electronics and optoelectronic devices. In this perspective, the authors highlight how the presence of microscopic disorder in these materials can influence their macroscopic optoelectronic properties. Specifically, they consider the dynamics of excitons in energetically disordered QD solids using a theoretical model framework for both localized and delocalized excitonic regimes. In both cases, they emphasize the tendency of energetic disorder to promote nonequilibrium relaxation dynamics and discuss how the signatures of these nonequilibrium effects manifest in time-dependent spectral measurements. Moreover, they describe the connection between the microscopic dynamics of excitons within the material and the measurement of material specific parameters, such as emission linewidth broadening and energetic dissipation rate.

solar (photovoltaic), solid state lighting, photos↗
DOE OSTI2015

Epitaxial growth of three dimensionally structured III-V photonic crystal via hydride vapor phase epitaxy

Three-dimensional (3D) photonic crystals are one class of materials where epitaxy, and the resultant attractive electronic properties, would enable new functionalities for optoelectronic devices. Here we utilize self-assembled colloidal templates to fabricate epitaxially grown single crystal 3D mesostructured Ga{sub x}In{sub 1−x}P (GaInP) semiconductor photonic crystals using hydride vapor phase epitaxy (HVPE). The epitaxial relationship between the 3D GaInP and the substrate is preserved during the growth through the complex geometry of the template as confirmed by X-ray diffraction (XRD) and high resolution transmission electron microscopy. XRD reciprocal space mapping of the 3D epitaxial layer further demonstrates the film to be nearly fully relaxed with a negligible strain gradient. Fourier transform infrared spectroscopy reflection measurement indicates the optical properties of the photonic crystal which agree with finite difference time domain simulations. This work extends the scope of the very few known methods for the fabrication of epitaxial III-V 3D mesostructured materials to the well-developed HVPE technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO{sub 3}-buffered ferroelectric BaTiO{sub 3} film on GaAs

The integration of functional oxide thin-films on compound semiconductors can lead to a class of reconfigurable spin-based optoelectronic devices if defect-free, fully reversible active layers are stabilized. However, previous first-principles calculations predicted that SrTiO{sub 3} thin films grown on Si exhibit pinned ferroelectric behavior that is not switchable, due to the presence of interfacial vacancies. Meanwhile, piezoresponse force microscopy measurements have demonstrated ferroelectricity in BaTiO{sub 3} grown on semiconductor substrates. The presence of interfacial oxygen vacancies in such complex-oxide/semiconductor systems remains unexplored, and their effect on ferroelectricity is controversial. Here, we use a combination of aberration-corrected scanning transmission electron microscopy and first-principles density functional theory modeling to examine the role of interfacial oxygen vacancies on the ferroelectric polarization of a BaTiO{sub 3} thin film grown on GaAs. We demonstrate that interfacial oxygen vacancies enhance the polar discontinuity (and thus the single domain, out-of-plane polarization pinning in BaTiO{sub 3}), and propose that the presence of surface charge screening allows the formation of switchable domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

In-plane quasi-single-domain BaTiO 3 via interfacial symmetry engineering

The control of the in-plane domain evolution in ferroelectric thin films is not only critical to understanding ferroelectric phenomena but also to enabling functional device fabrication. However, in-plane polarized ferroelectric thin films typically exhibit complicated multi-domain states, not desirable for optoelectronic device performance. Here we report a strategy combining interfacial symmetry engineering and anisotropic strain to design single-domain, in-plane polarized ferroelectric BaTiO 3 thin films. Theoretical calculations predict the key role of the BaTiO 3 /PrScO 3 (110) O substrate interfacial environment, where anisotropic strain, monoclinic distortions, and interfacial electrostatic potential stabilize a single-variant spontaneous polarization. A combination of scanning transmission electron microscopy, piezoresponse force microscopy, ferroelectric hysteresis loop measurements, and second harmonic generation measurements directly reveals the stabilization of the in-plane quasi-single-domain polarization state. This work offers design principles for engineering in-plane domains of ferroelectric oxide thin films, which is a prerequisite for high performance optoelectronic devices.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Experiments On Transparent Conductive Films For Spacecraft

Report describes experiments on thin, transparent, electrically conductive films made, variously, of indium tin oxide covered by magnesium fluoride (ITO/MgF2), aluminum-doped zinc oxide (AZO), or pure zinc oxide (ZnO). Films are candidates for application to such spacecraft components, including various optoelectronic devices and window surfaces that must be protected against buildup of static electric charge. On Earth, such films useful on heat mirrors, optoelectronic devices, gas sensors, and automotive and aircraft windows.

Perez-Davis, Marla E.↗
DOE OSTI2022

Wide bandgap semiconductor materials and devices

The technological and societal impacts of electronic devices based on Ge, Si, and compound semiconductors like GaAs have been profound, fueling the decades long quest in identifying ever-larger bandgap semiconductors to untap new applications and possibilities. Specifically, an increase in the bandgap leads to shorter wavelength emission and an increased breakdown electric field, which has direct consequences for solid-state lighting like light-emitting diodes (LEDs) and laser diodes (LDs) from the visible (blue-green, blue, and violet) and beyond (UV and deep-UV) spectral range and for radically improved power devices supported by a higher intrinsic breakdown strength. Wide bandgap (WBG) semiconductors represent the frontier of materials that satisfy these criteria and include group IV, III–V, and II–VI material families like SiC (3.2 eV), GaN (3.4 eV), and ZnO (3.4 eV), respectively. With even larger bandgaps exceeding 4 eV, ultrawide bandgap (UWBG) semiconductors include diamond, III-nitrides incorporating Al and B (e.g., AlN, BN, and AlGaN), and sesquioxides like Ga 2 O 3 and (Al,Ga) 2 O 3 . These materials span widely varying stages of technological maturity, with SiC and GaN platforms among the most mature with commercially available devices in RF and high-power electronics, while other platforms such as Ga 2 O 3 rapidly advancing and poised to enable new UV and deep-UV optoelectronic devices. This Special Topic on Wide Bandgap Semiconductor Materials and Devices covers broad research subtopics on WBG and UWBG materials that span bulk crystals, epitaxy and substrate technologies, fundamental defect science, and doping, as well as electronic and optoelectronic device fabrication and characterization. Here, we highlight works from the collection, which we categorize by material platform of SiC, III-nitrides, and Ga 2 O 3 and related alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2019

14.1% CsPbI3 Perovskite Quantum Dot Solar Cells via Cesium Cation Passivation

Surface manipulation of quantum dots (QDs) has been extensively reported to be crucial to their performance when applied into optoelectronic devices, especially for photovoltaic devices. In this work, an efficient surface passivation method for emerging CsPbI3 perovskite QDs using a variety of inorganic cesium salts (cesium acetate (CsAc), cesium idodide (CsI), cesium carbonate (Cs2CO3), and cesium nitrate (CsNO3)) is reported. The Cs-salts post-treatment can not only fill the vacancy at the CsPbI3 perovskite surface but also improve electron coupling between CsPbI3 QDs. As a result, the free carrier lifetime, diffusion length, and mobility of QD film are simultaneously improved, which are beneficial for fabricating high-quality conductive QD films for efficient solar cell devices. After optimizing the post-treatment process, the short-circuit current density and fill factor are significantly enhanced, delivering an impressive efficiency of 14.10% for CsPbI3 QD solar cells. In addition, the Cs-salt-treated CsPbI3 QD devices exhibit improved stability against moisture due to the improved surface environment of these QDs. These findings will provide insight into the design of high-performance and low-trap-states perovskite QD films with desirable optoelectronic properties.

14 SOLAR ENERGY↗
DOE OSTI2017

Two-dimensional van der Waals heterojunctions for functional materials and devices

Two-dimensional (2D) materials, such as graphene, phosphorene, graphitic carbon nitride (g-C3N4), graphitic zinc oxide (g-ZnO) and transition metal dichalcogenides (TMDs, e.g., MoS2), have already attracted extensive attention due to their outstanding properties and wide range of applications in electronic and optoelectronic devices. In particular, 2D van der Waals heterojunctions combining the electronic structures of such 2D materials have also been predicted theoretically and synthesized experimentally to expect more new properties (e.g., bandgap opening in graphene, semiconductor band alignment, charge transfer and new optical absorption) and potential applications (e.g., solar cells, field-effect transistors (FFTs), PN junctions, PN diodes and photodetectors) far beyond corresponding 2D materials. This review focuses on recent theoretical works about 2D van der Waals heterojunctions especially for functional materials and devices such as photovoltaic solar cells (phosphorene/MoS2 and edge-modified phosphorene nanoflake based heterojunctions), Schottky and Ohmic contacts (graphene/MoS2 based heterojunctions), PN junctions (graphene/g-ZnO based heterojunctions) and supercapacitors (graphene/h-BN based heterojunctions). These theoretical simulations and designs of 2D van der Waals heterojunctions provide a promising direction for high-performance electronic and optoelectronic devices in experiments.

Hu, Wei↗
DOE OSTI2022

Method of improving exciton dissociation at organic donor-acceptor heterojunctions

The present disclosure generally relates to organic photosensitive optoelectronic devices and polaron pair recombination dynamics to impact efficiency and open circuit voltages of organic solar cells. The present disclosure also relates, in part, to methods of making organic photosensitive optoelectronic devices comprising the same.

Forrest, Stephen R.↗
DOE OSTI2019

Electron Emission Spectroscopy of III-N Semiconductor Devices

Gallium nitride (GaN) has proven to be a semiconductor material system that is ideal for the development of lasers and light-emitting diodes (LEDs) with emission wavelengths spanning the visible spectrum. In particular, the prevalence of white LEDs has been made possible by pairing GaN-based optoelectronic devices emitting at 450 nm (blue) with phosphors for down-conversion. The efficiency of these devices, although better than alternatives, is limited at high current densities (efficiency droop), elevated temperatures (thermal droop) and is markedly worse at longer wavelengths. Understanding the physical origins of these efficiency problems can provide a pathway for engineering solutions to these long-standing issues. Despite extensive efforts to improve and understand these limitations, the unambiguous identification of these efficiency loss mechanisms has remained an open topic of research. Most studies of the efficiency loss mechanisms in GaN LEDs rely on an indirect measurement of carrier dynamics by analysis of the emitted light. The inadequacy of these indirect measurements has motivated the development of an electron spectroscopy technique, capable of directly probing several electron transport and recombination mechanisms in GaN-based optoelectronic devices. In 2013, electron emission spectroscopy (EES) was used for the first time to measure high energy electrons generated via Auger recombination in the active region of an LED. This result brought an end to the longstanding controversy over the causes for efficiency droop at high carrier densities. Our analysis of the kinetic energy of vacuum emitted electrons from GaN-based LEDs xiii has unambiguously identified carrier overshoot as the dominant mechanism responsible for thermal droop. Control experiments from p-n diodes show evidence for a previously unknown hot carrier generating process, likely trap-assisted Auger recombination (TAAR) occurring in AlGaN/GaN barrier heterostrucutres. We also discuss the possibility of TAAR occurring in InGaN quantum wells through examination of low-efficiency LEDs grown by molecular beam epitaxy. Finally, we discuss preliminary EES results regarding long wavelength GaN LEDs as well as the first EES measurements from semipolar ($20\bar2\bar1$) GaN LEDs and p-n diodes.

light emitting diodes, solid state lighting↗
DOE OSTI2020

Charge carrier dynamics in two-dimensional hybrid perovskites: Dion–Jacobson vs. Ruddlesden–Popper phases

Two-dimensional (2D) halide perovskites are promising materials for environmentally stable next-generation optoelectronic device applications. Besides the widely investigated Ruddlesden–Popper (RP) phases, Dion–Jacobson (DJ) phases are attracting considerable attention due to their rapid emergence as efficient solar cell materials. However, there is very little atomistic understanding of the charge carrier dynamics under ambient conditions for these DJ-phases, limiting the possibilities to tune their optoelectronic performances through compositional engineering routes. In this study, by combining nonadiabatic molecular dynamics with time-domain density functional theory methods at room temperature, we compare the dominant non-radiative carrier recombination and dephasing processes in RP and DJ monolayered lead halide perovskites. Our systematic study demonstrates that performance-limiting nonradiative carrier recombination processes greatly depends on the electron–phonon interactions induced by structural fluctuations and instantaneous charge localization in these materials. The stiffer interlayer packing due to the presence of single spacer dications, which separates the lead iodide slabs, reduces the thermal fluctuations in the DJ-phase to a greater extent than that in the RP-phase 2D-perovskites. Specific electronic coupling between the closely spaced lead iodide layers enhances the delocalization of band-edge charge densities in DJ-phase systems. Compared to the RP-phase, reduced inelastic electron–phonon scattering in DJ-phase perovskites significantly limits intrinsic non-radiative recombination processes. The consequent enhancement in the photogenerated charge carrier lifetime makes DJ-phase perovskites potentially suitable for various optoelectronic devices. The computational insights gained from this study allow us to outline a set of robust design principles for DJ-phase perovskites to strategically tune their optoelectronic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Defect-Induced Photoluminescence Enhancement and Corresponding Transport Degradation in Individual Suspended Carbon Nanotubes

The utilization of defects in carbon nanotubes to improve their photoluminescence efficiency has become a widespread study towards the realization of efficient light emitting devices. Here, we report a detailed comparison of defects in nanotubes (quantified by Raman spectroscopy) and photoluminescence (PL) intensity of individual suspended carbon nanotubes (CNTs). We have also the evaluated the impact of these defects on the electron/hole transport in the nanotubes, which is crucial for the ultimate realization of optoelectronic devices. We find that brightly luminescent nanotubes exhibit a pronounced D-band in their Raman spectra, and vice versa, dimly luminescent nanotubes exhibit almost no D-band. Here, defects are advantageous for light emission by trapping excitons, which extends their lifetimes. We quantify this behavior by plotting the PL intensity as a function of the I D /I G band Raman intensity ratio, which exhibits a Lorentz distribution peaked at I D /I G =0.17. For CNTs with a I D /I G ratio >0.25, the PL intensity decreases, indicating that, above some critical density, non-radiative recombination at defect sites dominates over the advantages of exciton trapping. In an attempt to fabricate optoelectronic devices based on these brightly luminescent CNTs, we transferred these suspended CNTs to platinum electrodes and found that the brightly photoluminescent nanotubes exhibit nearly infinite resistance due to these defects while those without bright photoluminescence exhibit finite resistance. These findings indicate a potential limitation in the use of brightly luminescent CNTs for optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Cost Effective Polymer Solar Cells Research and Education

The technical or research objective of this project is to investigate and develop new polymers and polymer based optoelectronic devices for potentially cost effective (or cost competitive), durable, lightweight, flexible, and high efficiency solar energy conversion applications. The educational objective of this project includes training of future generation scientists, particularly young, under-represented minority scientists, working in the areas related to the emerging organic/polymer based solar energy technologies and related optoelectronic devices. Graduate and undergraduate students will be directly involved in scientific research addressing issues related to the development of polymer based solar cell technology.

14 SOLAR ENERGY↗
DOE OSTI2024

Enhanced Thermal Stability of Conductive Mercury Telluride Colloidal Quantum Dot Thin Films Using Atomic Layer Deposition

Colloidal quantum dots (CQDs) are valuable for their potential applications in optoelectronic devices. However, they are susceptible to thermal degradation during processing and while in use. Mitigating thermally induced sintering, which leads to absorption spectrum broadening and undesirable changes to thin film electrical properties, is necessary for the reliable design and manufacture of CQD-based optoelectronics. Here, low-temperature metal–oxide atomic layer deposition (ALD) was investigated as a method for mitigating sintering while preserving the optoelectronic properties of mercury telluride (HgTe) CQD films. ALD-coated films are subjected to temperatures up to 160 °C for up to 5 h and alumina (Al 2 O 3 ) is found to be most effective at preserving the optical properties, demonstrating the feasibility of metal–oxide in-filling to protect against sintering. HgTe CQD film electrical properties were investigated before and after alumina ALD in-filling, which was found to increase the p-type doping and hole mobility of the films. The magnitude of these effects depended on the conditions used to prepare the HgTe CQDs. With further investigation into the interaction effects of CQD and ALD process factors, these results may be used to guide the design of CQD–ALD materials for their practical integration into useful optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A Structural and Ellipsometric Investigation of Thin Gallium Oxide Layers Deposited on Si by Means of Laser Deposition

The morphology of Ga{sub 2}O{sub 3} layers deposited on a silicon substrate by pulse laser deposition is studied using scanning electron microscopy in the thickness range of 30–200 nm. Using spectroscopic ellipsometry in the wavelength range from 250 to 900 nm, the thickness of layers and dispersion of their optical parameters (complex pseudodielectric function ε, refractive and absorptive indices) have been determined and the fraction of voids has been estimated in the scope of the Bruggeman effective medium approximation. In the spectrum of the imaginary part ε{sub 2}, there is observed an increase in values in the region of energy E = 4.8 eV corresponding to the direct interband transition in the Ga{sub 2}O{sub 3} structure. X-ray structure analysis showed the presence of peaks typical for the β-Ga{sub 2}O{sub 3} structure. The results of the investigations can be used for the formation of wide-bandgap gallium oxide layers in developing devices of power electronics and in creating optoelectronic devices for the UV range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Challenges and opportunities of ZnO-related single crystalline heterostructures

Recent technological advancement in ZnO heterostructures has expanded the possibility of device functionalities to various kinds of applications. In order to extract novel device functionalities in the heterostructures, one needs to fabricate high quality films and interfaces with minimal impurities, defects, and disorder. With employing molecular-beam epitaxy and single crystal ZnO substrates, the density of residual impurities and defects can be drastically reduced and the optical and electrical properties have been dramatically improved for the ZnO films and heterostructures with Mg{sub x}Zn{sub 1-x}O. Here, we overview such recent technological advancement from various aspects of application. Towards optoelectronic devices such as a light emitter and a photodetector in an ultraviolet region, the development of p-type ZnO and the fabrication of excellent Schottky contact, respectively, have been subjected to intensive studies for years. For the former, the fine tuning of the growth conditions to make Mg{sub x}Zn{sub 1-x}O as intrinsic as possible has opened the possibilities of making p-type Mg{sub x}Zn{sub 1-x}O through NH{sub 3} doping method. For the latter, conducting and transparent polymer films spin-coated on Mg{sub x}Zn{sub 1-x}O was shown to give almost ideal Schottky junctions. The wavelength-selective detection can be realized with varying the Mg content. From the viewpoint of electronic devices, two-dimensional electrons confined at the Mg{sub x}Zn{sub 1-x}O/ZnO interfaces are promising candidate for quantum devices because of high electron mobility and strong electron-electron correlation effect. These wonderful features and tremendous opportunities in ZnO-based heterostructures make this system unique and promising in oxide electronics and will lead to new quantum functionalities in optoelectronic devices and electronic applications with lower energy consumption and high performance.

36 MATERIALS SCIENCE↗