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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Imaging Light‐Induced Migration of Dislocations in Halide Perovskites with 3D Nanoscale Strain Mapping

Abstract In recent years, halide perovskite materials have been used to make high‐performance solar cells and light‐emitting devices. However, material defects still limit device performance and stability. Here, synchrotron‐based Bragg coherent diffraction imaging is used to visualize nanoscale strain fields, such as those local to defects, in halide perovskite microcrystals. Significant strain heterogeneity within MAPbBr 3 (MA = CH 3 NH 3 + ) crystals is found in spite of their high optoelectronic quality, and both 〈100〉 and 〈110〉 edge dislocations are identified through analysis of their local strain fields. By imaging these defects and strain fields in situ under continuous illumination, dramatic light‐induced dislocation migration across hundreds of nanometers is uncovered. Further, by selectively studying crystals that are damaged by the X‐ray beam, large dislocation densities and increased nanoscale strains are correlated with material degradation and substantially altered optoelectronic properties assessed using photoluminescence microscopy measurements. These results demonstrate the dynamic nature of extended defects and strain in halide perovskites, which will have important consequences for device performance and operational stability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exciton Transport in Perovskite Materials

Halide perovskites have emerged as promising materials for a wide variety of optoelectronic applications, including solar cells, light‐emitting devices, photodetectors, and quantum information applications. In addition to their desirable optical and electronic properties, halide perovskites provide tremendous synthetic flexibility through variation of not only their chemical composition but also their structure and morphology. At the heart of their use in optoelectronic technologies is the interaction of light with electronic excitations in the form of excitons. This review discusses the properties and behavior of excitons in halide perovskite materials, with a particular emphasis on low‐dimensional perovskites and the effects of nanoscale morphology on excitonic behavior. The basic theory of excitonic energy migration in semiconductor nanomaterials is introduced, and novel observations in halide perovskite nanomaterials that have evolved our current understanding are explored. Lastly, many important questions that remain unanswered are presented and exciting emerging directions in low‐dimensional perovskite exciton physics are discussed.

2D materials↗
DOE OSTI2025

Large‐Scale 2D Perovskite Nanocrystals Photodetector Array via Ultrasonic Spray Synthesis

Abstract 2D perovskite (PVSK) single crystals have received significant attention due to their unique optical and optoelectronic properties. However, current synthesis methods face limitations, particularly in large‐area fabrication, which remain critical barriers to practical applications. In this study, the synthesis of red/green/purple‐blue‐colored 2D PVSK nanocrystals over a large area (4‐inch wafer) and the fabrication of high‐performance photodetector arrays are presented via a facile yet efficient spray‐coating approach with a liquid‐bridge transport effect. The photodetector array achieves 100% working yield, high photo‐responsivity (1.5 × 10 6 A W −1 ) and specific‐detectivity (1.1 × 10 16 Jones) with competitive photomapping characteristics. An intelligent vision system for automatic shape recognition is further demonstrated with a recognition rate exceeding 90%. This study provides significant advances in the scalable synthesis of nanoscale 2D PVSK crystals, their integration into large‐area optoelectronic devices, and their potential use in artificial‐intelligence systems.

Lee, Yoon Ho [Davidson School of Chemical Engineer↗
DOE OSTI2020

Geometrically Tunable Beamed Light Emission from a Quantum‐Dot Ensemble Near a Gradient Metasurface

Abstract Optical metasurfaces have been widely investigated in recent years as a means to tailor the wavefronts of externally incident light for passive device applications. At the same time, their use in active optoelectronic devices such as light emitters is far less established. This work explores their ability to control the radiation properties of a nearby continuous ensemble of randomly oriented incoherent dipole sources via near‐field interactions. Specifically, a film of colloidal quantum dots is deposited on a plasmonic metasurface consisting of a 1D array of metallic nanoantennas on a metal film. The array is designed to introduce a linear phase profile upon reflection, and a bi‐periodic nanoparticle arrangement is introduced to ensure adequate sampling of the desired phase gradient. Highly directional radiation patterns are correspondingly obtained from the quantum dots at an enhanced emission rate. The underlying radiation mechanism involves the near‐field excitation of surface plasmon polaritons at the metal film, and their selective diffractive scattering by the metasurface into well‐collimated beams along predetermined geometrically tunable directions. These results underscore the distinctive ability of metasurfaces to control radiation properties directly at the source level, which is technologically significant for the continued miniaturization and large‐scale integration of optoelectronic devices.

Wang, Xiaowei↗
DOE OSTI2022

Enhancing and Extinguishing the Different Emission Features of 2D (EA(1-)(x)FA(x))(4)Pb3Br10 Perovskite Films

2D hybrid perovskites are attractive for optoelectronic devices. In thin films, the color of optical emission and the texture of crystalline domains are often difficult to control. Here, a method for extinguishing or enhancing different emission features is demonstrated for the family of 2D Ruddlesden-Popper perovskites (EA(1-)(x)FA(x))(4)Pb3Br10 (EA = ethylammonium, FA = formamidinium). When grown from aqueous hydrobromic acid, crystals of (EA(1-)(x)FA(x))(4)Pb3Br10 retain all the emission features of their parent compound, (EA)(4)Pb3Br10. Surprisingly, when grown from dimethylformamide (DMF), an emission feature, likely self-trapped exciton (STE), near 2.7 eV is missing. Extinction of this feature is correlated with DMF being incorporated between the 2D Pb-Br sheets, forming (EA(1-)(x)FA(x))(4)Pb3Br10 center dot(DMF)(y). Without FA, films grown from DMF form (EA)(4)Pb3Br10, retain little solvent, and have strong emission near 2.7 eV. Slowing the kinetics of film growth strengthens a different emission feature, likely a different type of STE, which is much broader and present in all compositions. Films of (EA(1-)(x)FA(x))(4)Pb3Br10 center dot(DMF)(y) have large, micron-sized domains and homogeneous orientation of the semiconducting sheets, resulting in low electronic disorder near the absorption edge. The ability to selectively strengthen or extinguish different emission features in films of (EA(1-)(x)FA(x))(4)Pb3Br10 center dot(DMF)(y) reveals a pathway to tune the emission color in these compounds.

2D halide perovskites↗
DOE OSTI2024

Giant Apparent Optical Circular Dichroism in Thin Films of Bismuth-Based Hybrid Organic-Inorganic Metal Halide Semiconductor Through Preferred Orientation

Introducing chirality into organic/inorganic hybrid materials can impart chiroptical properties such as circular dichroism. The ability to tune chiroptical properties in self-assembled materials can have important implications for spintronic and optoelectronic applications. Here, a chiral organic cation, (R/S)-4-methoxy-a-methylbenzylammonium, is incorporated to synthesize the bismuth-based hybrid organic-inorganic metal halide semiconductor, (R/S-MeOMePMA)BiI4. Thin films of this Bi-based compound demonstrate large chiroptical responses, with circular dichroism anisotropy (gCD) values up to ˜0.1, close to the highest value observed in another chiral metal-halide semiconductor, (R-MBA2CuCl4). Detailed investigation reveals that this large gCD in (R/S-MeOMePMA)BiI4 is caused by the apparent CD effect. Careful selection of deposition conditions and the concomitant thin-film orientation enables the control of gCD, with maximum value observed when its thin film has a well-crystallized preferred (001) orientation parallel to the substrate. The results support a growing body of evidence that low symmetry plays an important role in achieving unusually large gCD in these chiral metal-halide materials and provides design rules for achieving large chiroptical response via morphology control.

chiroptic response↗
DOE OSTI2025

Impact of Halogen Groups on the Properties of PEA–Based 2D Pb–Sn Halide Perovskites

Tuning broad emission in 2D Pb–Sn halide perovskites (HPs) is essential for advancing optoelectronic applications, particularly for color-tunable and white-light-emitting devices. This broad emission is linked to structural factors, such as defects and phase segregation of the Pb component within the Pb–Sn system, which are strongly influenced by the molecular structure and chemical properties of spacer cations. Atomic tuning of the spacers via halogenation opens up a new way to fine-tune the molecular properties, enabling further augmentations of HP functionalities. Nevertheless, the distinct broad emission's sensitivity to spacer chemistry remains underexplored. Here, halogenation's influence is systematically investigated on 2D HP emission characteristics using a high-throughput workflow. These findings reveal that the F-containing phenethylammonium (4F-PEA) spacer narrows the broadband PL, whereas Cl broadens it. Through a correlative study, it is found that 4F-PEA reduces not only the local phase segregation but also the defect levels and microstrains in 2D HPs. This is likely attributed to the manifestation of less lattice distortion via stronger surface coordination of the dipole-augmented 4F-PEA. Furthermore, these results highlight halogenation as a key factor in modulating phase segregation and defect density in 2D Pb–Sn HPs, offering a promising pathway to tune the emission for enhanced optoelectronic performance.

2D Pb-Sn halide perovskites↗
DOE OSTI2026

Experimental Evidence of Free Carrier Generation in 2D Hybrid Organic–Inorganic Perovskites

Despite the significant potential of 2D hybrid organic–inorganic perovskites (2DHOIPs) for high-efficiency optoelectronics application-comparable to their 3D counterparts, the fundamental carrier photogeneration remains unclear. In contrast to conventional ultrafast optical property characterization, we use ultrafast photocurrent spectroscopy to investigate the early-time electrical properties of type-I and type-II 2DHOIPs by manipulating the quantum confinement and the dielectric quantum matching effect. We discovered that the high frequency dielectric quantum matching effect plays a major role in 2DHOIPs, demonstrated by their high carrier mobility (µ), near-unity photogeneration quantum yield (Φ), below-room temperature exciton binding energy (E b ), and approaching 3D space factor (DSF). Our work shows that the optoelectronic performances of 2DHOIPs are comparable to their counterparts of 3DHOIPs.

2D perovskite↗
DOE OSTI2022

Mechanochemistry of Phosphorus and Arsenic Alloys for Visible and Infrared Photonics

Incorporating few‐layer 2D phosphorus–arsenic alloys (PAs) into optoelectronic devices requires a synthesis technique that allows control of the alloy composition while producing volumes of material suitable for application development such as photodetectors, solar cells, and lasers. With that goal in mind, high‐energy ball milling allows production of both orthorhombic (o‐PAs) and trigonal (t‐PAs) alloys by reacting red phosphorus and metallic arsenic powders. The synthesis follows a two‐step process in which arsenic rapidly reacts with red phosphorus to first produce t‐PAs followed by a slower phase transformation into o‐PAs; synthesis time and overall conversion rate are slightly enhanced by the presence of arsenic. Optical measurements on exfoliated alloys at the few‐layer atomic limit of the 2D PAs reveal emission spanning from the visible (≈1.9 eV) into the near‐infrared region, covering a broad application space. Rapid powder synthesis within a closed system for stochiometric control of the solid‐solution PAs alloys combined with solution‐based exfoliation opens up opportunities for a whole new class of optoelectronic devices based on PA nanomaterials.

Pedersen, Samuel V.↗
DOE OSTI2019

Ferroelectricity‐Enhanced Piezo‐Phototronic Effect in 2D V‐Doped ZnO Nanosheets

Emerging 2D electronic materials have shown great potential for regulating and controlling optoelectronic processes. A 2D ferroelectric semiconductor coupled with the piezo-phototronic effect may bring unprecedented functional characteristics. Here, a heterojunction photodetector made of p-Si/V-doped-ferroelectric-ZnO 2D nanosheets (FESZ-PD) is fabricated, and the ferroelectricity-enhanced piezo-phototronic effect on the photoresponse behavior of the FESZ-PD is carefully investigated. By introducing the ferroelectricity and the piezo-phototronic effect, improved current rectification performance is achieved and the photoresponse performance of the heterojunction is enhanced in a broad spectral range. The applied voltage bias during measurement naturally causes ferroelectric spontaneous polarizations to align, resulting in a change in band structure near the interface and the local piezo-phototronic effect. The modulated energy band promotes the generation, separation, and transportation efficiency of photogenerated carriers greatly. Compared with the Si/ZnO 2D nanosheets photodetector without ferroelectricity under strain-free conditions, the photoresponsivity R of the FESZ-PD increases by 2.4 times when applying a -0.20‰ compressive strain at +1 V forward bias. These results confirm the feasibility of coupling the ferroelectricity with the piezo-phototronic effect in 2D ferroelectric materials to enhance the photoresponse behavior, which provides a good way to enable the development of high-performance electronic and optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Controllable Thin‐Film Approaches for Doping and Alloying Transition Metal Dichalcogenides Monolayers

Abstract Two‐dimensional (2D) transition metal dichalcogenides (TMDs) exhibit exciting properties and versatile material chemistry that are promising for device miniaturization, energy, quantum information science, and optoelectronics. Their outstanding structural stability permits the introduction of various foreign dopants that can modulate their optical and electronic properties and induce phase transitions, thereby adding new functionalities such as magnetism, ferroelectricity, and quantum states. To accelerate their technological readiness, it is essential to develop controllable synthesis and processing techniques to precisely engineer the compositions and phases of 2D TMDs. While most reviews emphasize properties and applications of doped TMDs, here, recent progress on thin‐film synthesis and processing techniques that show excellent controllability for substitutional doping of 2D TMDs are reported. These techniques are categorized into bottom–up methods that grow doped samples on substrates directly and top–down methods that use energetic sources to implant dopants into existing 2D crystals. The doped and alloyed variants from Group VI TMDs will be at the center of technical discussions, as they are expected to play essential roles in next‐generation optoelectronic applications. Theoretical backgrounds based on first principles calculations will precede the technical discussions to help the reader understand each element's likelihood of substitutional doping and the expected impact on the material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A Highly Stretchable and Fatigue-Free Transparent Electrode Based on an In-Plane Buckled Au Nanotrough Network

Flexible transparent electrodes are an indispensable component of next-generation soft optoelectronics such as wearable electronics and electronic artificial skins (E-skins). Among the existing candidate materials, metal nanotrough networks exhibit optimal overall optoelectronic performance with impressive bendability. However, their further practical applications are hindered by their limited mechanical stretchability, which is highly desired in biointegrated systems. Here it is demonstrated that superior mechanical stretchability with tensile strains up to 300% can be achieved in Au nanotrough networks by introducing an in-plane sinusoidal wavy structure. For the first time it is shown that with a precisely tuned nanotrough geometry along with an optimized network configuration, the buckled Au nanotrough network can be repeatedly stretched to strains up to 120% for 100 000 cycles, exhibiting excellent fatigue performance. Such highly stretchable and fatigue-free (at a high tensile strain up to 100%) Au nanotrough networks present a competent sheet resistance (R sh ≈ 10 Ω sq -1 ) with high optical transparency (T = 91%), which are demonstrated to be highly compatible with human skins as conformal flexible transparent electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Scalable Synthesis of the Transparent Conductive Oxide SrVO 3

The correlated metal SrVO 3 is an attractive earth-abundant transparent conducting oxide (TCO), a critical component of many optoelectronic and renewable energy devices. A key challenge is to synthesize films with low resistivity, due to the prevalence of defects that cause electron scattering. In addition to the material's promise as a TCO, its interesting correlated-electron physics is often obscured by a high defect concentration, which inhibits its further development into new types of devices. A route to synthesize low-defect SrVO 3 films by scalable, industry-compatible molecular beam epitaxy (MBE) is demonstrated. The resulting films consistently exhibit a residual resistivity ratio in the excess of 10 and room temperature resistivity as low as 32 µΩ cm, an indication of their high quality and potential for applications. Analysis of the structural and electronic properties of SrVO 3 films provides insights that are applicable to other conductive oxides, and highlights a route for further improvement in their quality and low temperature performance. MBE is the only growth method that allows atomically abrupt epitaxial interfaces between oxides and semiconductors such as Si and GaAs. Such interfaces are essential for efficient charge transport that is at the heart of the performance of most optoelectronic and solar devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Photoinduced Melting of V 4 O 7 Correlated State

The compound V 4 O 7 is one of the Magnéli phase (V n O 2n - 1 , n = 3, 4, …, 9) correlated vanadium oxides with distinct intriguing electronic and structural properties. The possibility to manipulate the phase state of V 4 O 7 on an ultrafast time scale by light makes this material promising for potential applications in photonics, optoelectronics, quantum, and neuromorphic circuit design. In this work, the ultrafast spectroscopy of V 4 O 7 reveals the second-order nature of the photoinduced insulator-to-metal transition, emphasizing electronic and lattice contributions. The findings reveal the influence of the laser excitation level and temperature on these dynamics, providing a comprehensive understanding of V 4 O 7 structural changes and response to external stimuli. The phenomenological model based on the Landau–Ginzburg formalism provides a robust framework for explaining the photoinduced transition dynamics, showing a detailed picture of the light interaction with the electronic and lattice subsystems. This integrated approach significantly enhances the understanding of V 4 O 7 complex behavior upon photoexcitation, opening new possibilities for developing new optoelectronic devices and noninvasive optical control of the phase transition pathways in vanadates.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Slow Organic-to-Inorganic Sub-Lattice Thermalization in Methylammonium Lead Halide Perovskites Observed by Ultrafast Photoluminescence

We examine carrier dynamics in polycrystalline methylammonium lead iodide (CH3NH3PbI3) perovskite thin films as functions of temperature and excitation wavelength. At room temperature, long-lived (nanosecond) transient absorption signals indicate negligible carrier trapping. Conversely, in ultrafast photoluminescence, we observe a heretofore unreported large amplitude (50-60%), 45-ps decay process prior to slower recombination. This fast feature persists for temperatures down to the orthorhombic phase transition near 150 K, below which phase coexistence manifests as rapid energy transfer between domains. At 3 K, a transient photoluminescence red-shift indicates formation of bound excitons from photogenerated free carriers with a 16 meV binding energy for the orthorhombic phase. Finally, we show that the fast PL decay component depends on pump photon energy, which we suggest relates excitation of high energy phonon modes associated with the organic component that alters wavefunction overlap. High-level electronic structure and dynamics calculation support the experimental findings. Hence, the fast PL decay relates a characteristic organic-to-inorganic sub-lattice equilibration timescale at optoelectronic-relevant excitation energies.

Chang, Angela Y.↗
DOE OSTI2017

Trade-Offs in Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

Discovery of novel semiconducting materials is needed for solar energy conversion and other optoelectronic applications. However, emerging low-dimensional solar absorbers often have unconventional crystal structures and unusual combinations of optical absorption and electrical transport properties, which considerably slows down the research and development progress. Here, the effect of stronger absorption and weaker carrier collection of 2D-like absorber materials are studied using a high-throughput combinatorial experimental approach, complemented by advanced characterization and computations. It is found that the photoexcited charge carrier collection in CuSbSe 2 solar cells is enhanced by drift in an electric field, addressing a different absorption/collection balance. The resulting drift solar cells efficiency is <5% due to inherent J SC / V OC trade-off, suggesting that improved carrier diffusion and better contacts are needed to further increase the CuSbSe 2 performance. Furthermore, this study also illustrates the advantages of high-throughput experimental methods for fast optimization of the optoelectronic devices based on emerging low-dimensional semiconductor materials.

14 SOLAR ENERGY↗
DOE OSTI2017

Ultrathin Co 3 O 4 Layers with Large Contact Area on Carbon Fibers as High-Performance Electrode for Flexible Zinc-Air Battery Integrated with Flexible Display

A facile and binder-free method is developed for the in situ and horizontal growth of ultrathin mesoporous Co 3 O 4 layers on the surface of carbon fibers in the carbon cloth (ultrathin Co 3 O 4 /CC) as high-performance air electrode for the flexible Zn-air battery. In particular, the ultrathin Co 3 O 4 layers have a maximum contact area on the conductive support, facilitating the rapid electron transport and preventing the aggregation of ultrathin layers. The ultrathin feature of Co 3 O 4 layers is characterized by the transmission electron microscopy, Raman spectra, and X-ray absorption fine structure spectroscopy. Benefiting from the high utilization degree of active materials and rapid charge transport, the mass activity for oxygen reduction and evolution reactions of the ultrathin Co 3 O 4 /CC electrode is more than 10 times higher than that of the carbon cloth loaded with commercial Co 3 O 4 nanoparticles. Compared to the commercial Co 3 O 4 /CC electrode, the flexible Zn-air battery using ultrathin Co 3 O 4 /CC electrode exhibits excellent rechargeable performance and high mechanical stability. Furthermore, the flexible Zn-air battery is integrated with a flexible display unit. The whole integrated device can operate without obvious performance degradation under serious deformation and even during the cutting process, which makes it highly promising for wearable and roll-up optoelectronics.

cobalt oxides↗