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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Extended use of face masks during the COVID-19 pandemic - Thermal conditioning and spray-on surface disinfection

The current COVID-19 pandemic has resulted in globally constrained supplies for face masks and personal protective equipment (PPE). Production capacity is limited in many countries and the future course of the pandemic will likely continue with shortages for high quality masks and PPE in the foreseeable future. Therefore, expectations are that mask reuse, extended wear and similar approaches will enhance the availability of personal protective measures. Repeated thermal disinfection could be an important option and likely easier implemented in some situations, at least on the small scale, than UV illumination, irradiation or hydrogen peroxide vapor exposure. In this paper, an overview on thermal responses and ongoing filtration performance of multiple face mask types is provided. Most masks have adequate material properties to survive a few cycles (i.e. 30 min disinfection steps) of thermal exposure in the 75°C regime. Some are more easily affected, as seen by the fusing of plastic liner or warping, given that preferred conditioning temperatures are near the softening point for some of the plastics and fibers used in these masks. Hence adequate temperature control is equally important. As guidance, disinfectants sprayed via dilute solutions maintain a surface presence over extended time at 25 and 37°C. Some spray-on alcohol-based solutions containing disinfectants were gently applied to the top surface of masks. Neither moderate thermal aging (less than 24 h at 80 and 95°C) nor gentle application of surface disinfectant sprays resulted in measurable loss of mask filter performance. Subject to bio-medical concurrence (additional checks for virus kill efficiency) and the use of low risk non-toxic disinfectants, such strategies, either individually or combined, by offering additional anti-viral properties or short term refreshing, may complement reuse options of professional masks or the now ubiquitous custom-made face masks with their often unknown filtration effectiveness.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A System for Standardizing and Combining U.S. Environmental Protection Agency Emissions and Waste Inventory Data

The U.S. Environmental Protection Agency (USEPA) provides databases that agglomerate data provided by companies or states reporting emissions, releases, wastes generated, and other activities to meet statutory requirements. These databases, often referred to as inventories, can be used for a wide variety of environmental reporting and modeling purposes to characterize conditions in the United States. Yet, users are often challenged to find, retrieve, and interpret these data due to the unique schemes employed for data management, which could result in erroneous estimations or double-counting of emissions. To address these challenges, a system called Standardized Emission and Waste Inventories (StEWI) has been created. The system consists of four python modules that provide rapid access to USEPA inventory data in standard formats and permit filtering and combination of these inventory data. When accessed through StEWI, reported emissions of carbon dioxide to air and ammonia to water are reduced approximately two- and four-fold, respectively, to avoid duplicate reporting. StEWI will greatly facilitate the use of USEPA inventory data in chemical release and exposure modeling and life cycle assessment tools, among other things. To date, StEWI has been used to build the recent USEEIO model and the baseline electricity life cycle inventory database for the Federal LCA Commons.

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

Biofouling and Corrosion Study for a Novel Linear Guided Wave Energy Converter (Post Access Report)

The overall objective of this project was to examine the reliability and performance of antibiofouling coatings used for a wave energy converter (WEC) developed by E-Wave Technologies. The particular coatings were selected for their low toxicity and potential compatibility with aquaculture. The aim of this work was to 1) test coating solutions to prevent biofouling growth and saltwater corrosion on the static (paddle and attachment frame surface) components of the WEC that are submerged, 2) determine adhesion of the coatings to system components, and 3) assess the ease and effectiveness of biofouling cleaning to insure long term performance of the system. An analysis of commercial coatings was performed using methods to examine the prevention of biofouling and coating adhesion properties on two key materials of the WEC, which were 316L low carbon marine grade stainless steel (SS) and Ultra High Molecular Weight Polyethylene (PE). Three marine antifouling paints were selected based on their unique properties to test how different paint styles perform on different materials. The selected paints were ePaint Ecominder self-polishing paint with Zinc Omadine for slime control, Pettit ECO HRT Copper-Free ablative antifouling with Econea biocide, and Intersleek 1100SR foul release. Pacific Northwest National Laboratory (PNNL) prepared PE and SS substrates coated with the three paints and compared the performance against uncoated substrates when submerged in raw seawater for 3-, 6-, and 9-month (m) time periods. Results in adhesion testing indicated that Pettit and ePaint materials clearly bonded strongly to SS, but did not bond comparably well to PE. It was noted during adhesion testing that the Intersleek surfaces were especially difficult to test as the paint highly resists bonding to the epoxy adhesives used with the adherence testing platform. The wear rate of the coatings was not measured under this study; however, based on adhesion testing, coatings in the sliding regions of the Ewave device are expected to wear rapidly. Sandia National Laboratories (SNL) evaluated the adhesion of three different paints to PE and SS substrates which were exposed to a marine environment for time intervals of 0, 3, 6, and 9 months. From qualitative visual analysis of the 3 in2 coupons when pulled from the tank, the 3 in2 coupons generally only appeared to have biofouling consisting of filamentous algae or diatoms, which all have relatively low mass and can be easily wiped from the surface of coupons. Qualitative visual analysis indicated that ECO HRT and Unpainted were consistently worse than Intersleek and Ecominder at all time points. Results provide insight to aid with down-selection of commercial coatings under static conditions to support reliability of the WEC and potential maintenance schedules. This investigation was conducted using small coupon samples suspended in seawater and the development of testing rigs for dynamic component level testing is needed for future work. In addition, the potential toxicity of these commercial coatings on aquaculture has not been determined by this study. One recommendation is to conduct toxicity investigations at the Environmental Toxicity Laboratory at Oak Ridge National Laboratory.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Stabilizing Nickel‐Rich Cathodes in Aqueous Process through Nanocellulose as Water Barrier

Nickel-rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NMC 811) cathode offers high voltage and high specific capacity, making it promising for high energy density batteries. However, large-scale manufacturing of aqueous-processed NMC 811 electrodes remains challenging due to proton exchange causing material decomposition and capacity loss. This work addresses this issue by constructing an in situ nanocellulose protective layer for NMC 811 particles via electrostatic interactions during the slurry preparation. For the first time, the interatomic spacing between inter-chains of nanocellulose is measured through wide-angle X-ray scattering and demonstrate the ability to effectively confine interlayer water using atomistic simulations. Moreover, this nanocellulose coverage simultaneously minimizes Li + surface segregation and mitigates water infiltration. Owing to less material decomposition during the aqueous processing, nanocellulose-protected NMC electrodes exhibit higher initial coulombic efficiency (83% vs 62% at 0.1C) and capacity (133 vs 59 mAh g −1 at 6C) than unprotected electrodes. Additionally, optimized aqueous-processed NMC electrodes offer comparable or even superior electrochemical properties compared to the electrodes fabricated using the conventional toxic organic solvent, N-methyl-2-pyrrolidone. Consequently, the developed approach enables affordable, sustainable aqueous processing for Nickel-rich NMC 811 cathodes with excellent electrochemical performances.

25 ENERGY STORAGE↗
DOE OSTI2025

Developing Microalgae-Based Non-Isocyanate Polyurethane Foam Materials

Polyurethane is a versatile material with a wide range of applications in the production of foam products such as car seats, mattresses, footwear, insulation foam, and more. The traditional process for producing polyurethane foam involves the fast reaction of isocyanate with water, which generates CO2 as a blowing agent. However, the use of isocyanate has raised concerns due to its potential for causing allergic reactions and aspiration symptoms. This has led to increased regulation of isocyanate, leading to a growing interest in developing alternatives. Non-isocyanate polyurethane (NIPU) has emerged as a promising alternative to traditional toxic PU production. The most promising approach for producing NIPU is the aminolysis of cyclic carbonate with diamine. The NIPU produced through this process has a polyhydroxyurethane structure, which is similar to traditional PU chemistry. We have demonstrated that microalgal oil is a favored feedstock, as it can provide high reactivity for industrial applications. However, the NIPU production process does not generate gas, and a blowing agent is required to achieve the desired foam structure. One of the challenges in producing NIPU foam is to match the bubble formation and curing rates. We have developed a novel approach to producing NIPU foam that utilizes carbamate as a bifunctional blowing and crosslinking agent. We have used vegetable oil and microalgal oil as feedstocks to produce various NIPU for characterization. The development of microalgal NIPU provides an exciting opportunity for reducing the environmental impact of foam production and improving the safety of the materials used in the production process. The production of value-added NIPU foam can also drive down the cost of microalgal biorefinery, advancing the commercialization of microalgal biofuel.

algae↗
DOE OSTI2025

Overexpression of sulfide:quinone reductase (SQR) in Acidithiobacillus ferrooxidans enhances sulfur, pyrite, and pyrrhotite oxidation

ABSTRACT Hydrogen sulfide is produced during the dissolution of some sulfidic minerals and during the microbial metabolism of reduced sulfur compounds. The sulfide:quinone reductase (SQR) enzyme is able to oxidize H 2 S, and the bioleaching cells Acidithiobacillus ferrooxidans have two SQR genes, only one of which has been characterized. We cloned and overexpressed the two SQR genes in A. ferrooxidans and show that they both have SQR activity. Both AFE_0267 and AFE_1792 are active under anaerobic conditions, but only AFE_1792 is active under aerobic conditions. The effect of the SQR overexpression and the expression of related genes on sulfur metabolism was investigated. The overexpression of SQR improved cell growth and sulfur oxidation, suggesting enhanced SQR activity led to a reduction in H 2 S toxicity as well as providing additional energy through H 2 S oxidation. Additionally, the impact on the oxidation of pyrite and pyrrhotite was investigated. The rate of oxidation of pyrite by the engineered cells was enhanced, and, furthermore, the rate of pyrrhotite oxidation was more than doubled. IMPORTANCE H 2 S is a toxic sulfur intermediate, and the SQR enzyme has evolved to oxidize H 2 S in A. ferrooxidans . In addition to detoxification, H 2 S oxidation provides energy, and overexpression of SQR enhanced aerobic and anaerobic growth on sulfur. The SQR overexpression also enhanced pyrite and pyrrhotite oxidation, which may facilitate the pyrometallurgical processing of a number of critical materials including copper, nickel, and the platinum group metals.

Jung, Heejung↗
DOE OSTI2024

Modified metal-organic framework (MOF) compositions, process of making and process of use thereof

This invention relates to modified MOF materials, methods of preparing them and processes using them. A modified MOF of the invention is modified by impregnating a MOF with an inorganic metal salt. The starting MOF contains at least one linker or ligand which contains an aryl amino group as part of its structure. These modified MOFs are able to adsorb either basic or acidic toxic industrial compounds (TIC). The modified MOFs can be used to remove TICs from various gaseous streams such as air.

Weston, Mitchell Hugh↗
DOE OSTI2022

2D Graphene Sheets as a Sensing Material for the Electroanalysis of Zileuton

Zileuton (ZLT) is an active oral inhibitor of enzyme 5-lipoxygenase, and long-term intake and overdose of ZLT cause adverse effects, leading to critical conditions in patients. This is a well-recognized issue that necessitates a better approach for ZLT sensing. Given the increasing interest in ZLT sensing and the limitations of previous techniques, there is a need for a highly sensitive, robust, and fast operation method that is inexpensive and easy to use. Thus, for the sensitive detection and determination of ZLT, an electrochemical sensor based on graphene was fabricated. Graphene has excellent properties, such as high surface area, low toxicity, conductivity, and electroactive conjugation with biomolecules, making it suitable for sensing. The electrocatalytic property of graphene promotes the redox-coupled reaction of ZLT. Electrochemical investigation of the modifier was carried out by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). An optimization and analysis of the influence of different parameters on the electrochemical behavior of ZLT were carried out using the CV approach. The scan rate study aided in exploring the physicochemical properties of the electrode process, and two electrons with two protons were found to be involved in the electrooxidation of ZLT. The fabricated sensor showed a wide range of linearity with ZLT, from 0.3 µM to 100.0 µM, and the detection limit was evaluated as 0.03 µM under optimized conditions. The analysis of spiked urine samples, with good recovery values for percent RSD, provided support for the efficiency and applicability of the developed electrode.

2D Material↗
DOE OSTI2020

On-device lead sequestration for perovskite solar cells

Perovskite solar cells, as an emerging high-efficiency and low-cost photovoltaic technology face challenges on their way towards commercialization. Substantial improvements have been made to device stability but potential issues with lead toxicity and leaching from devices remain relatively unexplored. The potential for lead leakage could be perceived as an environmental and public health risk when using perovskite solar cells in building-integrated photovoltaics. Here we present a chemical approach for on-device sequestration of more than 96 per cent of lead leakage caused by severe device damage. A coating of lead-absorbing material is applied to the front and back sides of the device stack. On the glass side of the front transparent conducting electrode, we use a transparent lead-absorbing molecular film containing phosphonic acid groups that bind strongly to lead. On the back (metal) electrode side, we place a polymer film blended with lead-chelating agents between the metal electrode and a standard photovoltaic packing film. The lead-absorbing films on both sides swell to absorb the lead, rather than dissolve, when subjected to water soaking, thus retaining structural integrity for easy collection of lead after damage.

14 SOLAR ENERGY↗
DOE OSTI2023

Low-temperature liquid-phase formation of environmentally stable copper halide nanocrystal superlattices and their application to anticounterfeiting patterns

Nanocrystal superlattices have the potential to create a new class of semiconductor materials by combining the photophysical properties of individual nanocrystals with bulk-like structure performance. However, the principles underlying the direct formation of superlattices in liquid phase have not been thoroughly investigated, particularly, those consisting of exciton self-trapping metal halides. Here, in this work, we explore the formation of Cs 3 Cu 2 Br 5 nanocrystal superlattices via liquid-phase crystallization of growing nanocrystals over a reaction period of only a few seconds. Importantly, the reaction temperature and the precursor concentration were found to be key parameters governing the concomitant nanocrystal growth and superlattice formation. The resulting Cs 3 Cu 2 Br 5 superlattices had a well-defined face-centered cubic structure and emitted a single-band bright blue emission when exposed to 280 nm light. Owing to their advantages, such as low toxicity, reabsorption-free, narrow absorption, strong emission, and high environmental stability, the Cs 3 Cu 2 Br 5 superlattices were applicable to anti-counterfeiting applications. Our findings shed light on the liquid-phase assembly of nanocrystals into superlattices and highlight the potential applications of the superlattices.

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

Clean Energy Technology Applications on US Mine Land: Technical Analysis

As the United States transitions toward a clean energy economy, an opportunity exists for redeveloping the more than 17,000 mine land sites located across the nation with clean energy technologies, which have a combined potential for generating more than 85 GW of clean electricity. This report provides an overview of the potential of demonstrating and deploying clean energy projects on current and former mine land. Clean energy project refers to a project that demonstrates one or more of the following technologies: solar; microgrids; geothermal; direct air capture; fossil-fueled electricity generation with carbon capture, utilization, and sequestration; energy storage, including pumped storage hydropower and compressed air energy storage; and advanced nuclear technologies. The report discusses the following technologies and their potential for creating jobs and generating tax revenue that would result in direct and indirect benefits to the local economy: Solar photovoltaics (PV) is being developed on current and former mine land in various parts of the world, including the United States. This approach is attractive because it requires limited infrastructure investment and would utilize the bare surfaces of mines and tailing ponds. Solar resource availability may be greater in the southern regions, including the Interior and Appalachian Basins and the southwestern United States. However, since some mine land sites include areas of significant change in elevation, the deployment of PV on mine land may require sophisticated planning to account for shading and irradiance, or may require regrading of the areas. PV does not create significant environmental risks and generally does not face public resistance; Geothermal systems are often spatially and genetically associated with ore deposits, and in some cases, they have been discovered while in search for epithermal mineral resources. Numerous diverse geothermal applications have been employed at mine land around the world, including power generation, mineral extraction from geothermal brines, process heating, direct use for other mining operations, and direct use for non-mining operations and subsurface energy storage, including geothermal heat pumps. Case studies highlighting these applications provide key lessons relating to identifying drivers and barriers to geothermal resource deployment and can be used to create screening tools for identifying the types and locations of mine land most amenable to utilizing geothermal resources; Carbon capture, utilization, and sequestration technologies include direct air capture (DAC) and enhanced weathering. DAC technologies include air contactors, regeneration systems, and CO 2 compression systems. Captured CO 2 can be converted to valuable feedstocks or possibly injected into abandoned subsurface mines where it would be absorbed by alkaline rock waste and mine tailings or by the porous minerals along the walls of the mine. DAC systems can be coupled with energy sources such as wind, solar, grid, or geothermal. Many DAC systems require a source of water or steam; however, some are expected to be net producers of water. Local impacts of DAC systems are expected to be low, and are related to land footprint, material disposal, and upstream impacts of energy and material production; Compressed air energy storage is an established energy storage technology in salt caverns. It has the potential for implementation in underground mines by pressurizing and storing a large amount of air using electrical compressors when excess electricity is available. When a need for discharge emerges, the air is used to spin turbines and produce the necessary volume of electricity. Abandoned or unused mine openings, including shafts, adits, access tunnels, and mined workings of any orientation, offer potential for vast amounts of compressed air energy storage if the site characteristics meet operational requirements; Pumped hydropower storage can be implemented in surface and subsurface mines. In surface mine applications, both reservoirs may be located in a mine pit or artificial reservoirs made of excavated materials. In subsurface mines, the lower reservoir may be implemented by waterproofing and flooding mine shafts and tunnels. The water is then pumped from the lower reservoir to the upper reservoir during periods of low load and high production, and it is discharged through the turbines during periods of peak demand. The potential environmental damages associated with acidity of mine water or the presence of toxic chemicals incentivizes the development of closed-loop technologies, in which water circulates inside the pumped hydropower facility without being discharged into the external water basins; Advanced nuclear energy technologies include small modular reactors, which can be deployed locally to produce electricity and heat. Such units require seismic stability and a supply of cooling water, but population constraints may exist in some areas. Therefore, remote mine land could represent an optimal location for siting advanced nuclear energy technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Progress and outlook of Sn–Pb mixed perovskite solar cells

Abstract Organic–inorganic hybrid perovskites have revolutionized solar cell research owing to their excellent material properties. Most previous research has been done on Pb-based perovskites. Recently, efforts to discover a Pb-free or Pb-less perovskite material with an ideal bandgap ranging 1.1–1.3 eV have led researchers to investigate Sn–Pb mixed perovskites. Sn–Pb mixed perovskites have a bandgap of ~ 1.25 eV, which is suitable for high-efficiency single-junction and perovskite/perovskite tandem solar cells. Moreover, the Pb content of Sn–Pb mixed perovskites is 50–60% lower than that of Pb-based perovskites, partially mitigating the Pb toxicity issue. However, incorporating Sn 2+ into the crystal structure also causes various drawbacks, such as inhomogeneous thin film morphologies, easy oxidation of Sn 2+ , and more vulnerable surface properties. Researchers have made substantial progress in addressing these challenges through improvements in compositional design, structural optimization, precursor design, and surface treatments. In this review, we provide a comprehensive overview of the progress in Sn–Pb mixed perovskite solar cells. Furthermore, we analyze the key variables and trends as well as provide an outlook for future directions in the research on Sn–Pb mixed perovskites. Graphical Abstract

14 SOLAR ENERGY↗
DOE OSTI2023

Electrodeposition and analysis of thick bismuth films

Due to its unique physical and chemical properties, bismuth is an attractive candidate for a wide range of applications such as battery anodes, radiation shielding, and semiconductors, to name a few. This work presents the electrodeposition of mechanically stable and homogenous bismuth films at micron-scale thicknesses. A simple one-step electrodeposition process using either a pulse/reverse or direct current source yielded thick, homogenous, and mechanically stable bismuth films. Morphology, electrochemical behavior, adhesion, and mechanical stability of bismuth coatings plated with varying parameters were characterized via optical profilometry, cyclic voltammetry, electron microscopy, and tribology. Scratch testing on thick electroplated coatings (> 100 µm) revealed similar wear resistance properties between the pulse/reverse plated and direct current electroplated films. This study presents a versatile bismuth electroplating process with the possibility to replace lead in radiation shields with an inexpensive, non-toxic metal, or to make industrially relevant electrocatalytic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Development of high‐performance partially biobased thermoset polyester using renewable building blocks from isosorbide, 1,3‐propanediol, and fumaric acid

Abstract Research on biobased thermoset resins has been overlooked when compared with the rapid progress on biobased thermoplastics. The objective of this work was to develop unsaturated polyester prepolymers based on building blocks derived from renewable raw materials, namely, biobased isosorbide, 1,3‐propanediol, and fumaric acid, with petroleum‐derived phthalic anhydride. The prepolymers developed herein behaved as low‐molecular weight macromolecules (oligoesters), with M n varying between 1.2 and 1.5 kDa, but achieved a high bio‐content of up to 87.1 wt%. The prepolymers were incorporated into reactive diluents comprising a blend of 2‐hydroxyethyl methacrylate and styrene, formulated to be eco‐friendlier and less toxic than typical styrene‐only incorporation approach, thus resulting in resins with viscosities between 750 and 950 cP. These resins are suitable for use in various fiber‐reinforced polymer production techniques, such as manual lamination, vacuum infusion, and pultrusion, having the benefit of presenting over 50 wt% of bio‐content in some formulations. Moreover, the crosslinked polyester resins (thermosets) exhibit comparable mechanical and thermomechanical behavior to their petrochemical‐based counterparts, with modulus of elasticity and tensile strength of up to 3.9 GPa and 62.1 MPa, respectively, and glass transition temperatures of up to 106°C, making them greener alternatives for high‐performance structural applications.

Hofmann, Mateus↗
DOE OSTI2020

Effects of water-based binders on electrochemical performance of manganese dioxide cathode in mild aqueous zinc batteries

In the majority of rechargeable batteries including lithium ion batteries (LIBs), polyvinylidene fluoride (PVdF) binders are the most commonly used binder for both anode and cathode. However, using PVdF binder requires the organic solvent of N-methyl-2-pyrrolidone (NMP) which is expensive, volatile, combustible, toxic, and has poor recyclability. Therefore, switching to aqueous electrode processing routes with non-toxic binders would provide a great leap forward towards the realization of ideally fully sustainable and environmentally friendly electrochemical energy storage devices. Various water-soluble binders (aqueous binders) were characterized and compared to the performance of conventional PVDF. Our study demonstrates that the electrochemical performance of Zn/MnO2 aqueous batteries is significantly improved by using sodium carboxymethyl cellulose (CMC) binder. Additionally, CMC binders offers desirable adhesion, good wettability, homogeneous material distribution, and strong chemical stability at certain pH levels (3.5~5) without any decomposition for long-cycle life.

25 ENERGY STORAGE↗
DOE OSTI2021

Prussian blue as a co-catalyst for enhanced Cr (VI) photocatalytic reduction promoted by titania-based nanoparticles and aerogels

Hexavalent chromium (Cr(VI)) is an noxious and highly toxic heavy metal that presents a serious threat to human health if present even in low concentrations in drinking water. Photocatalytic reduction of Cr(VI) to its less toxic Cr(III) state is a potential strategy to combat Cr(VI) pollution, but the efficiency of the process is low, especially in the absence of hole scavenger organic reagents. To address this issue and prepare efficient photocatalysts for Cr(VI) removal from water, in this study, we explored Prussian blue (PB) as a co-catalyst for improving the photoreduction performance of different high surface area TiO 2 -based materials (titania or silica–titania nanoparticles and aerogels). Here, the photocatalyst nanomaterials were surface-modified with nanocrystalline PB using the photodeposition route. The PB layer acts as an effective electron acceptor/mediator between the semiconductor photocatalyst and Cr(VI) species. All the PB-modified photocatalysts exhibit higher photocatalytic activity (up to 9 times faster) as compared to the unmodified photocatalysts towards reduction of Cr(VI). Importantly, the PB-modified photocatalysts exhibited high photocatalytic performance (98–99% reduction in 40 min for pH = 5.6 and in 10 min for pH = 3) without addition of organic reagents. The simple approach reported herein can be followed to prepare new PB-photocatalyst systems with improved photocatalytic performance towards Cr(VI) reduction and other target applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Life-cycle environmental impacts of single-junction and tandem perovskite PVs: a critical review and future perspectives

For new technologies, such as perovskite solar cells (PSC), life cycle analysis (LCA) offers a fundamental framework for examining potential environmental, energy and health impacts and mitigation options before large-scale commercialization and for guiding improvements in development and production that further reduce their environmental footprint. However, credible LCA studies require actual process-based material, energy and emissions data, which may not exist before the technologies are commercially produced. Thus, the perovskite LCA literature is based on linear extrapolations of laboratory data. In this paper we critically reviewed the PSC LCA literature, explain the reasoning for a wide divergence of results, and determined which data apply to scalable industrial production, materials and processes. Our investigation probed into the formulation of each layer of a PSC device, and its potential for industrial scale fabrication. We found that electricity use is the main contributor to reported LCA results, explaining the large difference, ranging from 7.78 kWh to 1,460 kWh/m –2 , among various studies. Subsequently, we identified and discuss methodological errors in some of these estimates. In terms of life-cycle toxicity most of the reviewed LCA studies do not attribute any major overall toxicity impact to the presence of lead in the PSC devices. We also reviewed and critiqued studies describing “worst-case” scenarios of accidental release of lead into the environment, and, in spite of statements in those studies, we found them to be inconclusive. Lastly, we discussed end-of-life (EoL) management options for resource recovery and for minimizing environmental impacts.

14 SOLAR ENERGY↗
DOE OSTI2025

Illuminating the mechanistic impacts of an Fe-quaterpyridine functionalized crystalline poly(triazine imide) semiconductor for photocatalytic CO 2 reduction

The strategy of incorporating earth-abundant catalytic centers into light-absorbing architectures is desirable from the viewpoint of low cost, low toxicity, and versatility for activating small molecules to produce solar-based fuels. Herein, we show that an Fe-quaterpyridine molecular catalyst can be anchored to a light-absorbing, crystalline, carbon nitride (PTI), to yield a molecular-catalyst/material hybrid, Fe-qpy-PTI, capable of facilitating CO 2 reduction to CO selectively (up to ∼97–98%) in aqueous solution under low-intensity light irradiation. This hybrid material leverages the ability of the Fe-qpy catalyst to bind CO 2 upon a one-electron reduction, as achieved by transfer of excited electrons from the carbon-nitride semiconductor. At a low incident power density of only 50 mW cm −2 , the catalytic activity of the hybrid material was measured across a range of catalyst loadings from 0.1–3.8 wt%, yielding CO rates of up to 596 μmol g −1 h −1 for a 3.8 wt% loading during a 3 h experiment. Over the course of 8 h, the hybrid material attained a CO evolution rate of 608 μmol g −1 h −1 and 305 turnovers for a TOF of ∼38 h −1 and an apparent quantum yield of 2.6%. Higher light intensities provided an initial increase in activity but negatively impacted photocatalytic rates with time, with an AQY of 0.6% at 150 mW cm −2 and 0.4% at 250 mW cm −2 . Transient absorption spectroscopy results showed electron survival probabilities consistent with the trends in observed product rates. Computational modeling was also used to evaluate and understand the mechanistic pathway of the high product selectivity for CO versus H 2 . These results thus help unveil key factors for leveraging the mechanistic understanding of molecular catalysts for CO 2 reduction for pairing with light absorbing semiconductors and establishing optimal conditions to attain maximal rates in aqueous solution.

McGuigan, Scott [Baylor University, Waco, TX (Unit↗