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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Investigation of Defect Physics for Efficient, Durable and Ubiquitous Perovskite Solar Modules (Final Technical Report)

Organometal halide perovskite solar cells have experienced eye-catching improvements in its recent few years. It serves as one of the most promising candidates to replace the currently widely used silicon-based solar modules. To implement its final step to the real application, functional longevity becomes the dernier continent to conquer. As a polycrystalline material, defect plays critical role in the efficiency and stability of the perovskite solar cells. Thus, the investigation of the defect physics of the perovskite layer is indispensable in this research field. However, hard evidence and a consensus are still lacking in terms of the specific nature of the defects and their effects on performance and hysteresis, and perhaps even more importantly, there is absence of fundamental understanding of the correlations between the defects and long-term operational stability of the device. A more fundamental understanding of the nature of defects in perovskite materials is of paramount importance to progress their efficiency and durability. In this work we propose in-depth studies of correlations of defects with performance and stability of perovskite solar cells. Our project aimed 1) to investigate the defects physics in perovskite solar cells, and 2) to develop a comprehensive understanding and physical model of defects and its influence on performance and stability of perovskite solar cells. With the support from program manager, Peter Lobaccaro, and the Solar Energy Technologies Office of U.S. Department of Energy, the project ends with impact achievements. Our research results have systematically provided strategies to analyze the influences of constructive molecular configurations to the charged defects in the perovskite lattices and developed in-depth understanding of chemical additive approach to improve the perovskite solar cell performance and stability. As history has shown us, control over defect properties of semiconductor materials is the key to achieving high performance and low cost devices. Therefore, the potential impact of unlocking the understanding and manipulation of defects in perovskites is great, enabling this technology to realize SETO goals. The research project is highly productive with 18 published papers in three years in top-level journals such as Science, Nature, Nature Materials, Nature Communications, Journal of American Chemistry Society, Joule, Advanced Materials, and Nano Letters. These works have drawn great attention nationwide with notable total citations over 700 times from 2020 to 2022.

14 SOLAR ENERGY↗
NASA NTRS1999

Adaptive Mesh Refinement for Microelectronic Device Design

Finite element and finite volume methods are used in a variety of design simulations when it is necessary to compute fields throughout regions that contain varying materials or geometry. Convergence of the simulation can be assessed by uniformly increasing the mesh density until an observable quantity stabilizes. Depending on the electrical size of the problem, uniform refinement of the mesh may be computationally infeasible due to memory limitations. Similarly, depending on the geometric complexity of the object being modeled, uniform refinement can be inefficient since regions that do not need refinement add to the computational expense. In either case, convergence to the correct (measured) solution is not guaranteed. Adaptive mesh refinement methods attempt to selectively refine the region of the mesh that is estimated to contain proportionally higher solution errors. The refinement may be obtained by decreasing the element size (h-refinement), by increasing the order of the element (p-refinement) or by a combination of the two (h-p refinement). A successful adaptive strategy refines the mesh to produce an accurate solution measured against the correct fields without undue computational expense. This is accomplished by the use of a) reliable a posteriori error estimates, b) hierarchal elements, and c) automatic adaptive mesh generation. Adaptive methods are also useful when problems with multi-scale field variations are encountered. These occur in active electronic devices that have thin doped layers and also when mixed physics is used in the calculation. The mesh needs to be fine at and near the thin layer to capture rapid field or charge variations, but can coarsen away from these layers where field variations smoothen and charge densities are uniform. This poster will present an adaptive mesh refinement package that runs on parallel computers and is applied to specific microelectronic device simulations. Passive sensors that operate in the infrared portion of the spectrum as well as active device simulations that model charge transport and Maxwell's equations will be presented.

Cwik, Tom↗
DOE OSTI2016

PEDOT:PSS with embedded TiO{sub 2} nanoparticles as light trapping electrode for organic photovoltaics

The performance of organic optoelectronic devices can be improved by employing a suitable optical cavity design beyond the standard plane layer approach, e.g., by the inclusion of periodically or randomly textured structures which increase light incoupling or extraction. One of the simplest approaches is to add an additional layer containing light scattering particles into the device stack. Solution processed poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) thin films are promising for replacing the brittle and expensive indium tin oxide transparent electrode. We use a blend of 100 nm TiO{sub 2} scattering particles in PEDOT:PSS solution to fabricate transparent electrode films which also functions as a scattering layer. When utilized in an organic photovoltaic device, a power conversion efficiency of 7.92% is achieved, which is an 8.6% relative improvement compared to a device with a neat PEDOT:PSS electrode without the nanoparticles. This improvement is caused by an increase in short-circuit current due to an improved photon harvesting in the 320 nm–700 nm spectral wavelength range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Deep 3D X-ray Lithography Based on High-Contrast Resist Layers

In classical X-ray lithography, the mask and resist layer are arranged perpendicular to the incident X-ray beam. Being absorbed in the resist layer, the X-ray beam induces a response in the form corresponding to its cross section. However, using a tilt and rotation of the mask/resist and sequential repeated exposures, it is possible to create three-dimensional forms that are accurate to within less than a micron. New approaches to the creation of 3D microstructures by deep X-ray lithography are described, which can ensure the formation of relatively large arrays.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Self-similar turbulent boundary layer with imposed pressure gradient. Four flow regimes

Self-similar flows of an incompressible fluid in a turbulent boundary layer, when the free-stream velocity is a power function (with the exponent m) of the longitudinal coordinate, have been studied. It has been shown that there are four different self-similar flow regimes corresponding to four individual similarity parameters one of which is the known Clauser parameter and the three other parameters have been established for the first time. At adverse pressure gradient, when the exponent m lies in a certain range depending on Reynolds number, the problem has two solutions with different values of the boundary-layer thickness and skin friction; consequently, hysteresis in a pre-separation flow is possible. Separation occurs not at the minimal value of m that corresponds to the strongest adverse pressure gradient, but at m = −0.216 −0.4 Re{sub p}{sup −1/3} + O(Re{sub p}{sup −2/3}), where Re{sub p} is the Reynolds number based on longitudinal pressure gradient. The theoretical results are in good agreement with experimental data.

42 ENGINEERING↗
DOE OSTI2016

Enhanced heat sink with geometry induced wall-jet

Mini-channels embedded in solid matrix have already proven to be a very efficient way of electronic cooling. Traditional mini-channel heat sinks consist of single layer of parallel channels. Although mini-channel heat sink can achieve very high heat flux, its pumping requirement for circulating liquid through the channel increase very sharply as the flow velocity increases. The pumping requirements of the heat sink can be reduced by increasing its performance. In this paper a novel approach to increase the thermal performance of the mini-channel heat sink is proposed through geometry induced wall jet which is a passive technique. Geometric irregularities along the channel length causes abrupt pressure change between the channels which causes cross flow through the interconnections thus one channel faces suction and other channel jet action. This suction and jet action disrupts boundary layer causing enhanced heat transfer performance. A CFD model has been developed using commercially available software package FLUENT to evaluate the technique. A parametric study of the velocities and the effect of the position of the wall-jets have been performed. Significant reduction in thermal resistance has been observed for wall-jets, it is also observed that this reduction in thermal resistance is dependent on the position and shape of the wall jet.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Multimode delta-E effect magnetic field sensors with adapted electrodes

We present an analytical and experimental study on low-noise piezoelectric thin film resonators that utilize the delta-E effect of a magnetostrictive layer to measure magnetic fields at low frequencies. Calculations from a physical model of the electromechanical resonator enable electrode designs to efficiently operate in the first and second transversal bending modes. As predicted by our calculations, the adapted electrode design improves the sensitivity by a factor of 6 and reduces the dynamic range of the sensor output by 16 dB, which significantly eases the requirements on readout electronics. Magnetic measurements show a bandwidth of 100 Hz at a noise level of about 100 pTHz{sup −0.5}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1982

Initial studies of middle and upper tropospheric stratiform clouds

The spatial and temporal occurrence of cloud layers, the development of a physical-numerical model to simulate the life cycles of tropospheric cloud layers, and the design of an observational program to study the properties of these layers are described.

Cox, S. K.↗
DOE OSTI2024

Learning continuous scattering length density profiles from neutron reflectivities using convolutional neural networks

Interpreting neutron reflectivity (NR) data using ad hoc multi-layer models and physics-based models provides information about spatially resolved neutron scattering length density (NSLD) profiles. Recent improvements in data acquisition systems have allowed acquiring thousands of NR curves in a couple of hours, which has led to a need for automated data analysis tools to interpret NR measurements in real-time. Here, we present a machine learning analysis workflow that uses a series of models, based on a convolutional neural network (CNN), to learn the relation between the NSLDs and the NRs, and subsequently produce continuous NSLD profiles directly from NRs. The usefulness of our CNN-based models is demonstrated by constructing NSLDs from NRs of several films containing homopolymer polyzwitterions and diblock copolymers mixed with different types of salts. Comparisons of the NSLDs with those constructed using ad hoc multi-layer models reveal a very good agreement, suggesting the potential of CNN-based models for real-time automated data analysis of NRs.

36 MATERIALS SCIENCE↗
DOE OSTI2013

InAs/GaAs p-type quantum dot infrared photodetector with higher efficiency

An InAs/GaAs quantum dot infrared photodetector (QDIP) based on p-type valence-band intersublevel hole transitions as opposed to conventional electron transitions is reported. Two response bands observed at 1.5–3 and 3–10 μm are due to transitions from the heavy-hole to spin-orbit split-off QD level and from the heavy-hole to heavy-hole level, respectively. Without employing optimized structures (e.g., the dark current blocking layer), the demonstrated QDIP displays promising characteristics, including a specific detectivity of 1.8×10{sup 9} cm·Hz{sup 1/2}/W and a quantum efficiency of 17%, which is about 5% higher than that of present n-type QDIPs. This study shows the promise of utilizing hole transitions for developing QDIPs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Microstructure evolution during annealing of TiAl/NiCoCrAl multilayer composite prepared by EB-PVD

TiAl/NiCoCrAl laminate composite sheet with a thickness of 0.4–0.6 mm as well as a dimension of 150 mm × 100 mm was fabricated successfully by using electron beam physical vapor deposition (EB-PVD) method. The annealing treatment was processed at 1123 and 1323 K for 3 h in a high vacuum atmosphere, respectively. The phase composition and microstructure of TiAl/NiCoCrAl microlaminated sheet have been analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Based on the sheet characterization and results of the microstructure evolution during annealing treatment process, the diffusion mechanism of interfacial reaction in TiAl/NiCoCrAl microlaminate was investigated and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Integration of high permittivity BaTiO 3 with AlGaN/GaN for near-theoretical breakdown field kV-class transistors

In this Letter, we discuss AlGaN/GaN HEMTs integrated with high permittivity BaTiO 3 dielectric to enable enhanced breakdown characteristics. We show that using high permittivity BaTiO 3 dielectric layers in the gate and drain access regions prevents premature gate breakdown, leading to average breakdown fields exceeding 3 MV/cm at a gate-to-drain spacing of 4 μm. The higher breakdown fields enable a high power figure of merit above 2.4 GW/cm 2 in devices with a gate-to-drain spacing of 6 μm. This work demonstrates that electrostatic engineering using high-permittivity dielectrics can enable AlGaN/GaN HEMTs in approaching the material breakdown field limits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Growth of GaAs on single-crystal layered-2D Bi 2 Se 3

This article demonstrates the successful growth of cubic GaAs (111) on single-crystal 2D layered Bi 2 Se 3 (0001) substrates achieved using a cubic ZnSe buffer layer. This growth sequence was chosen based upon observed reactions between Bi 2 Se 3 (0001) substrates and both Ga and Zn. For the conditions used in our MOCVD reactor, triethylgallium (TEGa) interacts strongly with Bi 2 Se 3 to form Ga 2 Se 3 , which can disrupt the nucleation and growth of GaAs. Therefore, a buffer layer is needed which prevents Ga-Bi 2 Se 3 interactions while simultaneously providing a suitable growth surface for GaAs. ZnSe was chosen because it is lattice-matched to GaAs, and can be created by annealing the Bi2Se3 under a diethylzinc (DEZn) flux. A sample utilizing this growth sequence has been grown, characterized and exfoliated as a possible pathway toward reducing the substrate cost for III-V devices such as solar cells.

14 SOLAR ENERGY↗
DOE OSTI2018

Hydrogen passivation of poly-Si/SiO x contacts for Si solar cells using Al 2 O 3 studied with deuterium

Here, the interplay between hydrogenation and passivation of poly-Si/SiO x contacts to n-type Si wafers is studied using atomic layer deposited Al 2 O 3 and anneals in forming gas and nitrogen. The poly-Si/SiO x stacks are prepared by thermal oxidation followed by thermal crystallization of a-Si:H films deposited by plasma-enhanced chemical vapor deposition. Implied open-circuit voltages as high as 710 mV are achieved for p-type poly-Si/SiO x contacts to n-type Si after hydrogenation. Correlating minority carrier lifetime data and secondary ion mass spectrometry profiles reveals that the main benefit of Al 2 O 3 is derived from its role as a hydrogen source for chemically passivating defects at SiO x ; Al 2 O 3 layers are found to hydrogenate poly-Si/SiO x much better than a forming gas anneal. By labelling Al 2 O 3 and the subsequent anneal with different hydrogen isotopes, it is found that Al 2 O 3 exchanges most of its hydrogen with the ambient upon annealing at 400 °C for 1 h even though there is no significant net change in its total hydrogen content.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Numerical and experimental evaluation of mechanical performance of the multifunctional energy storage composites

This work presents numerical simulation methods to model the mechanical behavior of the multifunctional energy storage composites (MESCs), which consist of a stack of multiple thin battery layers reinforced with through-the-hole polymer rivets and embedded inside carbon fiber composite laminates. MESC has been demonstrated through earlier experiments on its exceptional behavior as a structural element as well as a battery. However, the inherent complex infrastructure of the MESC design has created significant challenges in simulation and modeling. A novel homogenization technique was adopted to characterize the multi-layer properties of battery material using physics-based constitutive equations combined with nonlinear deformation theories to handle the interface between the battery layers. Second, mechanical damage and failure modes among battery materials, polymer reinforcements, and carbon fiber-polymer interfaces were characterized through appropriate models and experiments. The model of MESCs has been implemented in a commercial finite element code in ABAQUS. A comparison of structural response and failure modes from numerical simulations and experimental tests are presented. The results of the study showed that the predictions of elastic and damage responses of MESCs at various loading conditions agreed well with the experimental data. © 2021

Materials Science↗
NASA NTRS1995

Polarimetric scattering from layered media with multiple species of scatterers

Geophysical media are usually heterogeneous and contain multiple species of scatterers. In this paper a model is presented to calculate effective permittivities and polarimetric backscattering coefficients of multispecies-layered media. The same physical description is consistently used in the derivation of both permittivities and scattering coefficients. The strong permittivity fluctuation theory is extended to account for the multiple species of scatterers with a general ellipsoidal shape whose orientations are randomly distributed. Under the distorted Born approximation, polarimetric scattering coefficients are obtained. These calculations are applicable to the special cases of spheroidal and spherical scatterers. The model is used to study effects of scatterer shapes and multispecies mixtures on polarimetric signatures of heterogeneous media. The multispecies model accounts for moisture content in scattering media such as snowpack in an ice sheet. The results indicate a high sensitivity of backscatter to moisture with a stronger dependence for drier snow and ice grain size is important to the backscatter. For frost-covered saline ice, model results for bare ice are compared with measured data at C band and then the frost flower formation is simulated with a layer of fanlike ice crystals including brine infiltration over a rough interface. The results with the frost cover suggest a significant increase in scattering coefficients and a polarimetric signature closer to isotropic characteristics compared to the thin saline ice case.

Nghiem, S. V.↗
DOE OSTI2016

Homoepitaxial nonpolar (10-10) ZnO/ZnMgO monolithic microcavities: Towards reduced photonic disorder

Nonpolar ZnO/ZnMgO-based optical microcavities have been grown on (10-10) m-plane ZnO substrates by plasma-assisted molecular beam epitaxy. Reflectivity measurements indicate an exponential increase of the cavity quality factor with the number of layers in the distributed Bragg reflectors. Most importantly, microreflectivity spectra recorded with a spot size in the order of 2 μm show a negligible photonic disorder (well below 1 meV), leading to local quality factors equivalent to those obtained by macroreflectivity. The anisotropic character of the nonpolar heterostructures manifests itself both in the surface features, elongated parallel to the in-plane c direction, and in the optical spectra, with two cavity modes being observed at different energies for orthogonal polarizations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Fractional excitations in foliated fracton phases

Fractional excitations in fracton models exhibit novel features not present in conventional topological phases: their mobility is constrained, there are an infinitude of types, and they bear an exotic sense of ‘braiding’. Hence, they require a new framework for proper characterization. Based on our definition of foliated fracton phases in which equivalence between models includes the possibility of adding layers of gapped 2D states, we propose to characterize fractional excitations in these phases up to the addition of quasiparticles with 2D mobility. That is, two quasiparticles differing by a set of quasiparticles that move along 2D planes are considered to be equivalent; likewise, ‘braiding’ statistics are measured in a way that is insensitive to the attachment of 2D quasiparticles. The fractional excitation types and statistics defined in this way provide a universal characterization of the underlying foliated fracton order which can subsequently be used to establish phase relations. We demonstrate as an example the equivalence between the X-cube model and the semionic X-cube model both in terms of fractional excitations and through an exact mapping.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗