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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Understanding lead halide perovskites

It has been ten years since research on lead halide perovskites (LHPs) took off spectacularly and expanded into one of the most active fields today in chemistry, physics, materials science, and engineering. There is no doubt that the rapid growth of this field has been fueled by the exceptional performance of this class of materials in solar cells, light emitting devices, and other electronic, optoelectronic, and photonic devices. Such application oriented advance has been accompanied by major development in mechanistic understanding. Growing mechanistic studies on LHPs have revealed structure–property relationships including, among others, structural instability, unique defect chemistry, dynamic disorder and anharmonicity of phonons, local symmetry breaking, efficient screening of charge carriers in large polaron formation, and the Rashba effect due to spin–orbital coupling and the presence of local electric fields. This special issue collects the cutting edge of our understanding of why LHPs work and what lessons LHPs have taught us about structure and dynamics, in general.

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

Evidence of Atypical Structural Flexibility of the Active Site Surrounding of an [FeFe] Hydrogenase from Clostridium beijerinkii

[FeFe] hydrogenase from Clostridium beijerinkii (CbHydA1) is an unusual hydrogenase in that it can withstand prolonged exposure to O 2 by reversibly converting into an O 2 -protected, inactive state (Hinact). It has been indicated in the past that an atypical conformation of the “SC 367 CP” loop near the [2Fe] H portion of the six-iron active site (H-cluster) allows the Cys367 residue to adopt an “off-H + -pathway” orientation, promoting a facile transition of the cofactor to Hinact. Here, we investigated the electronic structure of the H-cluster in the oxidized state (H ox ) that directly converts to Hinact under oxidizing conditions and the related CO-inhibited state (H ox -CO). We demonstrate that both states exhibit two distinct forms in electron paramagnetic resonance (EPR) spectroscopy. The ratio between the two forms is pH-dependent but also sensitive to the buffer choice. Our IR and EPR analyses illustrate that the spectral heterogeneity is due to a perturbation of the coordination environment of the H-cluster’s [4Fe4S] H subcluster without affecting the [2Fe] H subcluster. Overall, we conclude that the observation of two spectral components per state is evidence of heterogeneity of the environment of the H-cluster likely associated with conformational mobility of the SCCP loop. Such flexibility may allow Cys367 to switch rapidly between off- and on-H + -pathway rotamers. Consequently, we believe such structural mobility may be the key to maintaining high enzymatic activity while allowing a facile transition to the O 2 -protected state.

08 HYDROGEN↗
DOE OSTI2020

Chapter 6: Luminescence and Thermal Imaging of Thin-Film Photovoltaic Materials, Devices, and Modules

In this chapter, we describe luminescence and thermal imaging in the context of thin-film PV devices. First, we discuss both traditional and developing experimental designs, including dark LIT (DLIT), illuminated LIT, PL using different illumination configurations, traditional EL performed under forward -bias current injection, and contactless EL induced with sub -cell illumination patterns. Next, we provide some brief theoretical background to highlight relationships between fundamental materials properties and the resulting luminescence and thermal images. Finally, we give examples of thin-film PV PL, EL, and LIT images to demonstrate the utility of these imaging methods ranging from understanding the microstructure of active layers to managing the quality and reliability of full PV modules.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

Monocrystalline 1.7-eV MgCdTe solar cells

Monocrystalline 1.7-eV Mg 0.13 Cd 0.87 Te/Mg x Cd 1-x Te (x > 0.13) double-heterostructure (DH) solar cells with varying Mg composition in the barrier layers are grown by molecular beam epitaxy. Furthermore, a Mg 0.13 Cd 0.87 Te/Mg 0.37 Cd 0.63 Te DH solar cell featuring abrupt interfaces between barriers and absorber and the addition of a SiO 2 anti-reflective coating demonstrates open-circuit voltage (V OC ), short-circuit current density (J SC ), fill factor (FF), and device active-area efficiencies up to 1.129 V, 17.3 mA/cm 2 , 77.7% and 15.2%, respectively. The V OC and FF vary oppositely with the Mg x Cd 1-x Te barrier height indicating an optimal design of the MgCdTe DHs as a tradeoff between carrier confinement and carrier transport. Temperature-dependent V OC measurements reveal the majority of carrier recombination in the devices occurs outside the DHs, in the a-Si:H hole-contact layer and at the interface between the a-Si:H layer and the Mg x Cd 1-x Te top barrier at room temperature. Simulation results for the device with the highest efficiency show that the p-type a-Si:H layer and Mg 0.37 Cd 0.63 Te top barrier contribute 1.3 mA/cm 2 and 2.4 mA/cm 2 J SC loss, respectively.

14 SOLAR ENERGY↗
DOE OSTI2020

The Critical Role of AlInP Window Design in III–V Rear-Emitter Solar Cells

This article highlights the critical role of window design on short circuit carrier collection in rear-emitter solar cells, as demonstrated through modeling and experiment using metamorphic GaAs y P 1-y . Ultimately, if the window design is not carefully considered, surface depletion caused by Fermi level pinning at the window/air interface can extend into regions of active collection resulting in a large increase in effective window/base interface recombination velocity. This was experimentally shown here to result in a potential AM1.5G photocurrent loss of 8.1 mA/cm 2 , or nearly 50%, based on integrated internal quantum efficiency (IQE). Associated IQE modeling and curve fitting indicate that the effective IRV at the GaAs 0.75 P 0.25 /Al 0.64 In 0.36 P interface is increased by multiple orders of magnitude when the window is not sufficiently thick or doped to fully contain the surface depletion to within the window layer. Calculations of the surface depletion depth as a function of doping and the surface Fermi pinning energy level provides insight into the fundamental limits of window thickness. As a result, this allows the estimation of the Al 0.64 In 0.36 P surface pinning level to be at least 1.25 eV below the conduction band edge, or in the bottom half of the bandgap.

14 SOLAR ENERGY↗
DOE OSTI2020

Characterizing electronic and atomic structures for amorphous and molecular metal oxide catalysts at functional interfaces by combining soft X-ray spectroscopy and high-energy X-ray scattering

Amorphous thin film materials and heterogenized molecular catalysts supported on electrode and other functional interfaces are widely investigated as promising catalyst formats for applications in solar and electrochemical fuels catalysis. However the amorphous character of these catalysts and the complexity of the interfacial architectures that merge charge transport properties of electrode and semiconductor supports with discrete sites for multi-step catalysis poses challenges for probing mechanisms that activate and tune sites for catalysis. This minireview discusses advances in soft X-ray spectroscopy and high-energy X-ray scattering that provide opportunities to resolve interfacial electronic and atomic structures, respectively, that are linked to catalysis. This review discusses how these techniques can be partnered with advances in nanostructured interface synthesis for combined soft X-ray spectroscopy and high-energy X-ray scattering analyses of thin film and heterogenized molecular catalysts. Further, these combined approaches enable opportunities for the characterization of both electronic and atomic structures underlying fundamental catalytic function, and that can be applied under conditions relevant to device applications.

14 SOLAR ENERGY↗
DOE OSTI2020

Recent Progress in Engineering Metal Halide Perovskites for Efficient Visible‐Light‐Driven Photocatalysis

Abstract Artificial photosynthesis has attracted increasing attention due to recent environmental and energy concerns. Metal halide perovskites (MHPs) demonstrating excellent optoelectronic properties have currently emerged as novel and efficient photocatalytic materials. Herein, the structural features of MHPs that are responsible for the photoinduced charge separation and charge migration properties are briefly introduced, and then important and necessary photophysical and photochemical aspects of MHPs related to photoredox catalysis are summarized. Subsequently, the applications of MHPs for solar energy harvesting and photocatalytic conversion, including H 2 evolution, CO 2 reduction, degradation of organic pollutants, and photoredox organic synthesis, are extensively demonstrated, with a focus on strategies for improving the performance (e.g., selectivity, activity, stability, recyclability, and environmental compatibility) of these MHP‐based photocatalytic systems. To conclude, existing challenges and prospects on the future development of MHP‐based materials towards photoredox catalysis applications are detailed.

Han, Chuang↗
DOE OSTI2021

Collaboration to Enable Higher Penetrations of Solar Power Generation Using the Natural Gas Pipeline System for Energy Storage (CRADA CRD-14-00567)

This unique project explored one possible solution for photovoltaic (PV) generation to become a reliable and dispatchable energy resource similar to conventional baseload fossil fuel electricity generation. Solar power generation is a renewable resource that varies naturally from day-to-day as well as seasonally. To use solar power as a baseload generation asset requires a flexible storage system that can recover power on both a daily and seasonal basis. Converting solar power to natural gas (i.e., first to hydrogen and then to methane) and having access to utility-scale storage in the natural gas network has the potential to make solar power generation a baseload asset. This will: 1) Increase the net energy yield from solar resources by increasing the effective capacity factor and maximize the energy produced during the assets’ lifetimes. 2) Improve the economics of energy storage for solar project developers, thereby accelerating the deployment of new solar generation. 3) Reduce the impact of increasing solar penetration on congestion of the electrical transmission system by shifting power delivery in time using the gas pipeline network for long-duration storage. 4) Reduce the impact of increasing solar generation on electrical distribution system control. 5) Offer alternative revenue sources for solar power generation beyond electricity including: hydrogen (H 2 ) production for stationary fuel cells and fuel cell electric vehicles, conversion of carbon dioxide (CO 2 ) to methane (CH 4 ) as a direct drop-in replacement for fossil natural gas use, and transmission as high volumetrically-dense CH 4 for use in transportation, heating, power generation, chemical production or conversion back to H2 at the point of use. Additional work was added to this CRADA in modification 4 having a primary objective to characterize the performance of the electrolyzer, Southern California Gas (SoCalGas) bioreactor and balance of plant to demonstrate production of renewable natural gas (RNG) from renewable H 2 and CO 2 using single-cell, self-replicating organisms. The additional scope of work allowed researchers to ramp up gas flowrates and pressure of the system over the designed range to grow the cells and begin to show the load-following capabilities of this anaerobic gas fermentation process. These activities enabled the research team to predict system performance at much greater scales; namely 10’s of mega-watts (MWs) of electrolyzer nameplate capacity.

14 SOLAR ENERGY↗
DOE OSTI2022

Halogen Redox Shuttle Explains Voltage-Induced Halide Redistribution in Mixed-Halide Perovskite Devices

Voltage-induced halide segregation greatly limits the optoelectronic applications of mixed-halide perovskite devices, but a mechanistic explanation behind this phenomenon remains unclear. In this work, we use electron microscopy and elemental mapping to directly measure the halide redistribution in mixed-halide perovskite solar cells with quasi-ion-impermeable contact layers under different bias polarities to find iodide and bromide accumulation at the cathode and anode, respectively. This is consistent with a mechanism based on preferential iodide oxidation at the anode, leading to unbalanced I$^{+}_{i}$, I$^{-}_{X}$, and Br$^{-}_{X}$ fluxes. Importantly, switching the anode from "inert" Au to "active" Ag prevents segregation because Ag oxidation precludes the oxidation of lattice iodide, which suggests employing redox-active additives as a general strategy to suppress halide segregation. Finally, these results show that halide perovskite devices operate as solid-state electrochemical cells when threshold voltages are exceeded, providing fresh insight to understand the impacts of voltage bias on halide perovskite devices.

14 SOLAR ENERGY↗
DOE OSTI2023

United States cool surfaces deployment plan

Solar-reflective building envelope surfaces, such as cool roofs and walls, can be especially helpful in disadvantaged communities that often have poorly insulated older homes, aging or absent air conditioning units, steep utility bills, polluted air, and high vulnerability and exposure to extreme heat. With support from the U.S. Department of Energy, our project seeks to dramatically increase the climate-appropriate deployment of cool surfaces across the United States with an emphasis on their application to disadvantaged communities. First, we sought to identify cool-surface deployment barriers, opportunities, and models by (a) reviewing the history of cool-surface deployment activities, (b) interviewing cool-surface stakeholders, (c) researching successful energy-efficiency/green building deployment models; and (d) interviewing the actors who have implemented these models. Second, we conducted a workshop to engage stakeholders in development of a deployment plan. Third, we asked several U.S. federal agencies (a) how cool surfaces and cool surface stakeholders could support their missions and (b) how agency activities could support cool-surface deployment. Fourth, we identified a set of transformative ideas that form the core of the deployment plan. Transformative ideas include but are not limited to initiatives to (a) launch an educational campaign to make the general public and building professionals aware of how cool roofs and walls exclude unwanted solar heat; (b) create a “Cool Roof Prize” stimulating the development of affordable, high-performance cool asphalt roofing shingles; (c) conduct high-profile, large-scale demonstration programs that bring cool surfaces to disadvantaged heat-vulnerable communities; and (d) support local, regional, and state climate action (heat mitigation) plans with cool surfaces.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Low-temperature sprayed SnO x nanocomposite films with enhanced hole blocking for efficient large area perovskite solar cells

Scalable fabrication of charge transport layers with high uniformity and compactness is essential for the commercialization of perovskite solar cells (PSCs). Cost-effective deposition of high-quality electron transport layers (ETLs) is a particularly important step to achieve low-cost, efficient and large-area PSCs. Here, an open-air (relative humidity of 40–50%) and low-temperature (≤100 °C) ultrasonic spray coating of tin oxide (SnO 2 ) nanocomposite films incorporating nanocrystalline SnO 2 nanoparticles in an amorphous SnO x matrix is demonstrated to fabricate large-area ETLs for planar PSCs. The optimized SnO 2 /SnO x nanocomposite exhibits significantly enhanced hole-blocking and high-power conversion efficiencies of 18% and 16% for planar PSCs with an active area of 0.2 cm 2 and 1 cm 2 , respectively. More importantly, the devices show little current–voltage hysteresis as well as good shelf-life stability by maintaining ~90% of the initial performance without encapsulation after 2500 hours storage under inert conditions. Additionally, high voltages of >6.0 V have been obtained for solar modules of 2.1 cm 2 aperture area comprising six sub-cells in series, suggesting that the low-temperature, open-air and fast spray coating is suitable and transferable to deposit large-area charge transport layers for scalable PSCs or other optoelectronic devices.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

A Two-Stage Approach for PV Inverter Engagement in Power Factor Correction and Voltage Regulation

The rapid integration of distributed energy resources, like solar photovoltaics (PVs), can lead to overvolt-age challenges due to reverse power flow and a noticeable decrease in power factor at the substation interface. While existing literature extensively explores utilizing smart inverter capabilities for reactive power flexibility using a volt-var curve (VVC), obtaining time-varying operating points of such curves in real-time is challenging due to computational demands and communication requirements. Similarly, employing optimization-based approaches for reactive power control and active voltage regulation in large-scale distribution feeders is difficult due to the complexity of the problem and the challenges in effectively engaging customer-owned resources. This paper proposes a two-stage strategy to harness smart inverters for reactive power support. The first stage formulates short-term planning by optimally designing VVCs (on a daily or hourly basis) for large-scale solar PVs based on projected system needs and communicating optimal curves to smart inverters in advance. Subsequently, the second stage employs a transactive-based method to involve customer-owned PVs for reactive power support, effectively enhancing overall system performance and addressing real-time demands. In conclusion, the efficacy of this approach will be demonstrated using real-world distribution circuits provided by Vermont Electric Power Company (VELCO) and Vermont Electric Cooperative (VEC).

Poudel, Shiva [Pacific Northwest National Laborato↗
DOE OSTI2024

Multi-agent voltage control in distribution systems using GAN-DRL-based approach

Active distribution grids can experience voltage fluctuations and violations due to the high penetration of variable distributed energy resources (DERs). These problems might occur because of the uncertain and variable generation natures of these resources, especially solar photovoltaic resources, during panel shadowing scenarios. Volt-VAR control (VVC) is an efficient method that controls the reactive power set-points of the inverters to regulate the voltage of distribution grids. Although several VVC approaches have been proposed recently, the performance of these approaches degrades significantly if behind-the-meter solar generation data are unobservable/missing. Therefore, it is necessary to impute missing/unobservable PV data accurately to be utilized in VVC approaches. Further, this paper proposes a model-free, data-driven, centrally trained, and decentrally executed multi-agent deep reinforcement learning-based VVC architecture to regulate the voltage of distribution networks. A generative adversarial network (GAN) is incorporated to impute the unobservable PV data accurately, which improves the performance of the proposed control architecture. The proposed multi-agent-soft-actor–critic algorithm (MASAC)-based VVC technique utilizes the actual PV dataset as well as the imputed dataset from the GAN framework to learn the optimal coordinated control policy for controlling the optimal reactive power set-points of PV inverters. The effectiveness of the proposed approach is analyzed on a modified IEEE 34-bus test case with added PV inverters. The results are compared and analyzed with a base case model with no VVC and VVC with a local droop control approach, genetic algorithm optimization, and a centralized soft actor–critic-based approach. Moreover, the performance of the proposed approach is compared with that of a multi-agent VVC framework without using the PV generation data and load information as the system state. The results illustrate that the proposed method with more state input improves the voltage profile and reduces the power loss of the network across various loading and PV generation scenarios.

14 SOLAR ENERGY↗
DOE OSTI2022

Solid-State Transformer and Hybrid Transformer With Integrated Energy Storage in Active Distribution Grids: Technical and Economic Comparison, Dispatch, and Control

Solid-state transformer (SST) and hybrid transformer (HT) are promising alternatives to the line-frequency transformer (LFT) in smart grids. The SST features medium-frequency isolation, full controllability for voltage regulation, reactive power compensation, and the capability of battery energy storage system (BESS) integration with multiport configuration. The HT has a partially-rated converter for fractional controllability and can integrate a small BESS. Fast grid-edge voltage fluctuations from increased solar photovoltaic (PV) and electric vehicle (EV) penetration are difficult to manage for mechanical load tap changers. Hence, along with the trend towards more BESS in the grid, the controllability and the storage integration capability of the SST and HT are of strong interest. However, a review of literature shows existing SST and HT research is mostly at converter level, while system-level assessments are scarce. Assessing technical and economic impacts is critical to understanding the benefits and role of the SST and HT to guide future research, which is presented for the first time in this article. Experimental results from medium-voltage (MV) SST and MV HT prototypes are shown to confirm equipment-level feasibility, where the voltage controllability waveforms of a MV HT prototype are reported for the first time. Comparative simulations are performed on a modified IEEE 34-bus system. Here, a grid-model-less decentralized grid-edge voltage control method and a day-ahead BESS dispatch method are proposed for the SST and HT. The simulations show that the SST and HT with integrated storage can host more PV, achieve peak shaving, mitigate voltage fluctuation and reverse power flow, and support energy arbitrage for operational cost reduction, as compared to the LFT. Moreover, comprehensive analyses of net present value (NPV) and internal rate of return (IRR) are performed under different installed PV capacities, HT’s partial converter ratings, and BESS capacities. Sensitivities to future cost reductions of the PV and BESS are studied. Although the NPV and IRR are currently negative, 60% capital cost reduction or 150% revenue increase will make the SST and HT economically viable in the use case studied.

14 SOLAR ENERGY↗
DOE OSTI2023

Stability of Cu(In x Ga 1− x )Se 2 Solar Cells Utilizing RbF Postdeposition Treatment under a Sulfur Atmosphere

Alkali halide postdeposition treatments (PDTs) have become a key tool to maximize efficiency in Cu(In x Ga 1− x )Se 2 (CIGS) photovoltaics. RbF PDTs have emerged as an alternative to the more common Na‐ and K‐based techniques. This study utilizes temperature‐dependent current–voltage ( JVT ) measurements to study a unique RbF PDT performed in a S atmosphere. The samples are measured before and after 6 months in a desiccator to study device stability. Both samples contain Na and K which diffuse from the soda–lime glass substrate. A reference sample and a RbF + S PDT sample both show the development of a rear contact barrier after aging. The contact barrier is higher for the RbF + S PDT sample, leading to decreased current in forward bias. Series resistance is also higher in the RbF + S PDT device which leads to lower fill factor. However, after aging the reference sample has a larger decrease in open‐circuit voltage ( V OC ). Ideality factor measurements suggest Shockley–Read–Hall recombination dominates both samples. V OC versus temperature and a temperature‐dependent activation energy model are used to calculate diode activation energies for each sample condition. Both techniques produce similar values that indicate recombination primarily occurs within the bulk absorber.

14 SOLAR ENERGY↗
DOE OSTI2020

Atomic force microscopy: Emerging illuminated and operando techniques for solar fuel research

Integrated photoelectrochemical devices rely on the synergy between components to efficiently generate sustainable fuels from sunlight. The micro- and/or nanoscale characteristics of the components and their interfaces often control critical processes of the device, such as charge-carrier generation, electron and ion transport, surface potentials, and electrocatalysis. Understanding the spatial properties and structure–property relationships of these components can provide insight into designing scalable and efficient solar fuel components and systems. These processes can be probed ex situ or in situ with nanometer-scale spatial resolution using emerging scanning-probe techniques based on atomic force microscopy (AFM). In this Perspective, we summarize recent developments of AFM-based techniques relevant to solar fuel research. We review recent progress in AFM for (1) steady-state and dynamic light-induced surface photovoltage measurements; (2) nanoelectrical conductive measurements to resolve charge-carrier heterogeneity and junction energetics; (3) operando investigations of morphological changes, as well as surface electrochemical potentials, currents, and photovoltages in liquids. Opportunities for research covered here include: (1) control of ambient conditions for performing AFM measurements; (2) in situ visualization of corrosion and morphological evolution of electrodes; (3) operando AFM techniques to allow nanoscale mapping of local catalytic activities and photo-induced currents and potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

First principles investigation of dopants and defect complexes in CdSe$_x$Te$_{1-x}$

Se alloying is a common approach to improve the performance of CdTe solar cells by tuning the bandgap, defect levels, and carrier density. A fundamental understanding of these improvements, specifically the effect of Se alloying on the behavior of defects and dopants in CdTe, remains unclear. Here, in this work, we present a density functional theory (DFT) study of point defect energetics in CdTe and CdSe x Te 1-x with x = 0.25, leading to a comparison of how native defects, dopants (As and Cu), impurities (Cl and O), and related defect complexes behave in CdTe vs CdSe x Te 1-x . Our calculations, performed by combining semi-local and nonlocal hybrid functionals, show a general lowering of the formation energies of native defects as well as substitutional defects formed by As and Cl upon Se addition. For successful p-type doping with As, destabilizing Cl-based defects in the CdSeTe lattice would be essential. We find evidence for some low-energy defect complexes of As, Cl, and O in CdSe 0.25 Te 0.75 . The computed defect formation energies further enable estimates of temperature-dependent defect concentrations and self-consistent Fermi levels. A comparison of defect energetics with the energies of impurity phases reveals that As, Cu, Cl, and O overwhelmingly prefer being segregated to unwanted As 2 O 5 , AsCl 3 , Cd 2 AsCl 2 , and CuO x phases rather than remain at defect sites, but such segregation is less likely to happen in CdSe 0.25 Te 0.75 than in CdTe. Overall, our work presents a list of likely defects and complexes in CdTe and Se-incorporated CdTe, paving the way to explain and mitigate limited dopant activation in experimental observations.

CdTe↗