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At least 343 records · Page 19

Plutonium oxide melt structure and covalency

Advances in nuclear power reactors include the use of mixed oxide fuel, containing uranium and plutonium oxides. The high-temperature behaviour and structure of PuO 2-x above 1,800 K remain largely unexplored, and these conditions must be considered for reactor design and planning for the mitigation of severe accidents. Here, in this study, we measure the atomic structure of PuO 2-x through the melting transition up to 3,000 +/- 50 K using X-ray scattering of aerodynamically levitated and laser-beam-heated samples, with O/Pu ranging from 1.57 to 1.76. Liquid structural models consistent with the X-ray data are developed using machine-learned interatomic potentials and density functional theory. Molten PuO 1.76 contains some degree of covalent Pu-O bonding, signalled by the degeneracy of Pu 5f and O 2p orbitals. The liquid is isomorphous with molten CeO 1.75 , demonstrating the latter as a non-radioactive, non-toxic, structural surrogate when differences in the oxidation potentials of Pu and Ce are accounted for. These characterizations provide essential constraints for modelling pertinent to reactor safety design. The molten structure of plutonium oxide-a component of mixed oxide nuclear fuels-is measured, showing some degree of covalent bonding. Its atomic structure is similar to that of cerium oxide, which could be a non-radioactive structural surrogate.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Spiers Memorial Lecture: Next generation chalcogenide-based absorbers for thin-film solar cells

Inorganic-based thin-film photovoltaics (TFPV) represents an important component of the growing low-carbon energy market and plays a vital role in the drive toward lower cost and increased penetration of solar energy. Yet, commercialized thin-film absorber technologies suffer from some non-ideal characteristics, such as toxic or non-abundant element use (e.g., CdTe and Cu(In,Ga)(S,Se) 2 , which bring into question their suitability for terawatt deployment. Numerous promising chalcogenide, halide, pnictide and oxide semiconductors are being pursued to bridge these concerns for TFPV and several promising paths have emerged, both as prospective replacements for the entrenched technologies, and to serve as partner (i.e., higher bandgap) absorbers for tandem junction devices—e.g., to be used with a lower bandgap Si bottom cell. The current perspective will primarily focus on emerging chalcogenide-based technologies and provide both an overview of absorber candidates that have been of recent interest and a deeper dive into an exemplary Cu 2 BaSnS 4 -related family. Altogether, considering the combined needs of high-performance, low-cost, and operational stability, as well as the experiences gained from existing commercialized thin-film absorber technologies, chalcogenide-based semiconductors represent a promising direction for future PV development and also serve to highlight common themes and needs among the broader TFPV materials family.

14 SOLAR ENERGY↗

Functionalized Porous Polymer Networks as High-Performance PFAS Adsorbents

Toxic per- and polyfluoroalkyl substances (PFAS) are now found in nearly every water source on the planet. Exposure to these molecules can have negative health consequences, but the low concentration of PFAS relative to other solutes in water makes their removal challenging. Adsorbents offer a promising treatment route, but often exhibit low selectivities and removal capacities, as well as slow kinetics. The performance in these metrics can be improved by chemically optimizing PFAS binding sites and maximizing PFAS-adsorbent interactions. To explore how to achieve this, a porous polymer network solid (PPN-6, also known as PAF-1) was postsynthetically modified with various chemical moieties capable of leveraging unique combinations of electrostatic, hydrogen-bonding, hydrophobic, and fluorophilic interactions with PFAS molecules. Batch adsorption experiments and computational studies revealed that electrostatic and hydrogen-bonding interactions drive short-chain PFAS adsorption, while hydrophobic and fluorophilic interactions improve long-chain PFAS adsorption. In complex water matrices, a combination of electrostatic and fluorophilic interactions led to the greatest total PFAS removal. The best-performing material, functionalized with a fluorinated alkylammonium (PPN-6-FNDMB), selectively adsorbs PFAS with high capacity (up to 4.0 mmol/g) and rapid kinetics (equilibrium reached in <30 s). Furthermore, PPN-6-FNDMB outperforms several commercial adsorbents, achieving near-complete removal of 21 different PFAS from a groundwater sample collected at a US Air Force base. The PFAS could subsequently be desorbed from PPN-6-FNDMB, concentrating them by a factor of over 50 times. The recycled PPN-6-FNDMB could then be reused with minimal losses in long-chain PFAS adsorption capacity over four cycles.

Pezoulas, Ethan R↗

Advances in ionic liquid recycling for lignocellulosic biomass pretreatment

Ionic liquids (ILs) are promising solvents for the pretreatment of lignocellulosic biomass due to their ability to disrupt cellulose, hemicellulose, and lignin structures. However, large-scale implementation requires the development of efficient recovery and recycling methods. This review provides a comprehensive analysis of the recyclability potential of ILs used in biomass pretreatment, emphasizing their mechanisms, recent innovations, and ongoing challenges. We begin by discussing the structural diversity and tunability of ILs, which underlie their effectiveness in biomass deconstruction. The distinct roles of IL anions and cations in dissolving specific biomass components are systematically presented and compared. Advances in IL recycling techniques, including antisolvent precipitation methods, membrane separation, and distillation, are critically examined, with attention to how mechanistic insights can inform the design of more efficient and selective recovery strategies. Despite progress, significant challenges remain to scaling up IL-based biomass processing, including high cost, environmental concerns, and impact of biomass-derived impurities (e.g., lignin residues, sugars, proteins) on IL purity and functionality after reuse. We also review the applicability of different ILs based on life cycle assessments and techno-economic analyses. Lastly, we identify critical research gaps and propose future directions, including the design and development of next-generation ILs with improved recyclability, reduced toxicity, and enhanced economic viability for industrial-scale applications.

36 MATERIALS SCIENCE↗

Investigating PVC polymer–plasticizer interactions with atomistic MD simulations and potential of mean force calculations

For this work, atomistic molecular dynamics (MD) simulations coupled with potential of mean force (PMF) calculations were employed to investigate the interactions between PVC polymer chains containing 6–20 repeating units and various plasticizers, with the goal of identifying potential replacements for the toxic plasticizer di(2-ethylhexyl)phthalate (DEHP) used in blood bags. The selected plasticizers belong to various chemical families, such as orthophthalates, citrates, adipates, and the terephthalate DEHT. Both the polymer and the plasticizers lack ionizable groups, and their interactions are primarily governed by van der Waals and electrostatic forces. A model correlating PMF profiles with interaction forces was developed and validated across polyvinyl chloride (PVC) polymers of different lengths and all investigated plasticizers. This model provides insight into how structural variations in plasticizers influence their respective PMF values. The study ranks the investigated plasticizers based on binding affinity, identifying TOTM (tris(2-ethylhexyl) trimellitate, TEHTM), BTHC (butyryl trihexyl citrate, Citroflex B-6), ATHC (acetyl trihexyl citrate, Citroflex A-6, CA-6), and DEHT (bis(2-ethylhexyl)terephthalate, DOTP/DEHTP) as promising alternatives for further investigation. This comprehensive study encompasses PVC polymers of four different lengths and 14 plasticizers, with all data averaged over 30 independent simulations. The approach provides a deeper understanding of molecular interactions, enabling the tailoring of polymer–plasticizer systems for diverse applications, including extractables and leachables, with relevance spanning materials science to biomedical engineering, and also serves as a basis for developing coarse-grained simulation protocols. Overall, this study provides valuable insights for designing safer and more efficient plasticizer substitutes and is well supported by other studies.

Shet, Sai Athmeeya G. [Sri Sathya Sai Institute of↗

Enhanced Hanford High-Fluoride Waste Glass Property Data Development: Phase 1

This study focused on investigating the effects of fluorine concentration on simulated high-level waste glass properties to eventually establish a fluorine limit (as a single-component or multiple-component constraint) for glass formulations for high-fluoride Hanford wastes. This is a first step to provide data to understand the impacts of changing flowsheets on the mission duration and extent. A test matrix of 20 high-fluoride glasses was generated, and the chemical compositions were measured. The following properties were measured and tested against current model predictions: crystal formation after centerline canister cooling, crystallinity as a function of temperature, density, viscosity, electrical conductivity, toxic leaching characteristics using the toxicity characteristic leach profile (TCLP), product consistency using the product consistency test (PCT), and SO 3 solubility. Overall, current models failed to adequately predict most of the properties, possibly due to differences in compositional space used to generate the models and the current test matrix. Additional work is needed to more accurately assess the impacts of high-fluoride wastes on Hanford processing, including additional data collection over a broader composition region and model development for the key models of interest such as PCT and TCLP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Maintainable Fusion Pilot Plant

The US fusion community has coalesced around the goal of building an FPP as described by the National Academies of Science, Engineering, and Medicine (NASEM). In addition to demonstrating the viability of the technologies necessary to operate such a plant, including demonstration of net energy and electricity production, NASEM found that a “fusion pilot plant will need to demonstrate the ability to efficiently perform remote maintenance and replacement in support of the design of a power plant, taking into account details of the consequences of the fusion environment, such as material activation and tritium retention in components.” Current designs of fusion demonstration reactors do usually foresee a regular exchange of their first wall modules, including the tritium breeding blankets. In the European Power Plant Conceptual Studies, it is assumed that a fusion reactor will need to change its divertor every 2 years and its first wall blanket module every 5 to 6 years to reach acceptable availability. Underlying this capability are remote-handling technologies to keep the outage for the exchange of these components short. There are many uncertainties in the remote-handling schemes, and most schemes are at a preconceptual level at best. In addition, the exchange of these components would either produce an enormous rad-waste stream or would require an enormous refurbishment activity with huge cost-prohibitive hot-cells. Past Fusion Nuclear Science Facility (FNSF) preconceptual studies have led to hot cell dimensions of an unbelievable size, likely costing tens of billions of dollars. Already at The Way (previously International Thermonuclear Experimental Reactor, ITER), hot-cells have become cost-prohibitive, demanding redesigns of the ITER first wall to reduce the toxic rad-waste/inventory. In this in-situ PFC repair project, a concept for a long-life, maintainable first wall module concept is developed and tested. This first wall concept relies on innovative remote handling to repair the first wall modules in-situ, avoiding costly refurbishments outside of the tokamak vessel. This approach was highlighted in the Fusion Energy Sciences Advisory Committee (FESAC) report on Transformative Enabling Capabilities for Efficient Advance Toward Fusion Energy. In general, the damage of the first wall armor is due to particle and radiation exposures. Load conditions vary from one fusion reactor design to another. In tokamaks, first wall Plasma Facing Components (PFCs) are exposed to far-Scrape-Off-Layer plasma fluxes, electromagnetic radiation, energetic CX neutrals, and potentially runaway electron beams. Protecting the first wall to the worst-case load conditions would require the design of a very thick first wall armor. Transient heat and particle fluxes due to disruptions or edge localized modes can lead to excessive heat loads resulting potentially in melting PFCs down to the cooling channel. Catastrophic events like these need to be avoided by appropriate disruption mitigation systems. However, failure of these systems will still put a first wall at an unacceptable risk. Hence, a first wall design needs to accommodate the occasional transient heat loads by introducing sacrificial limiters, which will absorb these transients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Targeting colorectal cancer with small-molecule inhibitors of ALDH1B1

Aldehyde dehydrogenases (ALDHs) are promising cancer drug targets, as certain isoforms are required for the survival of stem-like tumor cells. We have discovered selective inhibitors of ALDH1B1, a mitochondrial enzyme that promotes colorectal and pancreatic cancer. We describe bicyclic imidazoliums and guanidines that target the ALDH1B1 active site with comparable molecular interactions and potencies. Both pharmacophores abrogate ALDH1B1 function in cells; however, the guanidines circumvent an off-target mitochondrial toxicity exhibited by the imidazoliums. Our lead isoform-selective guanidinyl antagonists of ALDHs exhibit proteome-wide target specificity, and they selectively block the growth of colon cancer spheroids and organoids. Finally, we have used genetic and chemical perturbations to elucidate the ALDH1B1-dependent transcriptome, which includes genes that regulate mitochondrial metabolism and ribosomal function. Our findings support an essential role for ALDH1B1 in colorectal cancer, provide molecular probes for studying ALDH1B1 functions and yield leads for developing ALDH1B1-targeting therapies.

36 MATERIALS SCIENCE↗

Magnetic and Impedance Analysis of Fe 2 O 3 Nanoparticles for Chemical Warfare Agent Sensing Applications

A dire need for real-time detection of toxic chemical compounds exists in both civilian and military spheres. In this paper, we demonstrate that inexpensive, commercially available Fe 2 O 3 nanoparticles are capable of selective sensing of chemical warfare agents (CWAs) using frequency-dependent impedance spectroscopy, with additional potential as an orthogonal magnetic sensor. X-ray magnetic circular dichroism analysis shows that Fe 2 O 3 nanoparticles possess moderately lowered moment upon exposure to 2-chloroethyl ethyl sulfide (2-CEES) and diisopropyl methylphosphonate (DIMP) and significantly lowered moment upon exposure to dimethyl methylphosphonate (DMMP) and dimethyl chlorophosphate (DMCP). Associated X-ray absorption spectra confirm a redox reaction in the Fe 2 O 3 nanoparticles due to CWA structural analog exposure, with differentiable energy-dependent features that suggest selective sensing is possible, given the correct method. Impedance spectroscopy performed on samples dosed with DMMP, DMCP, and tabun (GA, chemical warfare nerve agent) showed strong, differentiable, frequency-dependent responses. The frequency profiles provide unique “shift fingerprints” with which high specificity can be determined, even amongst similar analytes. The results suggest that frequency-dependent impedance fingerprinting using commercially available Fe 2 O 3 nanoparticles as a sensor material is a feasible route to selective detection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dual interfacial H-bonding-enhanced deep-blue hybrid copper–iodide LEDs

Solution-processed light-emitting diodes based on non-toxic copper–iodide hybrids are a compelling solution for efficient and stable deep-blue lighting, owing to their tunability, high photoluminescence efficiency and environmental sustainability. Here we present a hybrid copper–iodide that shows near-unity photoluminescence quantum yield (99.6%) with an emission wavelength of 449 nm and colour coordinates (0.147, 0.087), alongside its emission mechanism and charge transport characteristics. Here, we use the thin film of this hybrid as the sole active emissive layer to fabricate deep-blue light-emitting diodes and subsequently enhance the device performance through a dual interfacial hydrogen-bond passivation strategy. This synergetic surface modification approach, integrating a hydrogen-bond-acceptor self-assembled monolayer with an ultrathin polymethyl methacrylate capping layer, effectively passivates both heterojunctions of the copper–iodide hybrid emissive layer and optimizes charge injections. We achieve a maximum external quantum efficiency of 12.57%, a maximum luminance of 3,970.30 cd m −2 with colour coordinates (0.147, 0.091) and an excellent operational stability (half-lifetime) of 204 hours under ambient conditions. We further showcase a large-area device of 4 cm 2 that maintains high efficiency. Our findings reveal the potential of copper–iodide-based hybrid materials for applications in solid-state lighting and display technologies, offering a versatile strategy for enhancing device performances.

14 SOLAR ENERGY↗

Crystal structure and magnetism of actinide oxides: a review

In actinide systems, the 5f electrons experience a uniquely delicate balance of effects and interactions having similar energy scales, which are often difficult to properly disentangle. This interplay of factors such as the dual nature of 5f-states, strong electronic correlations, and strong spin–orbit coupling results in electronically unusual and intriguing behavior such as multi-k antiferromagnetic ordering, multipolar ordering, Mott-physics, mixed valence configurations, and more. Despite the inherent allure of their exotic properties, the exploratory science of even the more basic, binary systems like the actinide oxides has been limited due to their toxicity, radioactivity, and reactivity. In this article, we provide an overview of the available synthesis techniques for selected binary actinide oxides, including the actinide dioxides, sesquioxides, and a selection of higher oxides. For these oxides, here we also review and evaluate the current state of knowledge of their crystal structures and magnetic properties. In many aspects, substantial knowledge gaps exist in the current body of research on actinide oxides related to understanding their electronic ground states. Bridging these gaps is vital for improving not only a fundamental understanding of these systems but also of future nuclear technologies. To this end, we note the experimental techniques and necessary future investigations which may aid in better elucidating the nature of these fascinating systems.

36 MATERIALS SCIENCE↗

Nanotomography Investigation of 3D Printed Batteries with a Water-in-Salt Gel Polymer Electrolyte

3D printing, also known as additive manufacturing, has emerged as a promising strategy to design and fabricate future energy storage devices. Although significant progress has been reported, current 3D printed battery designs are still limited by the choice of the electrolyte, such as ceramic or conventional toxic organic electrolytes. Here, we incorporated the latest developments in aqueous batteries into a novel 3D printable battery that can be fabricated directly in an ambient environment that is also more environmentally friendly. Specifically, a gel polymer electrolyte with a water-in-salt concept was introduced in our 3D-printed batteries. Combining their advantages, the resulting 3D printable batteries show promise for much simplified processing conditions. Further, the structural, (electro-)chemical, and morphological evolution batteries are being investigated by synchrotron X-ray nanotomography and electrochemical analysis. Overall, our research explores the possibility of an easier and more environmentally friendly way to build 3D printable, customizable batteries for future technologies.

36 MATERIALS SCIENCE↗

Trade‐Off Between Toxicity and Efficiency in Tin‐ versus Lead‐Based Halide Perovskites

Toxicity remains one of the major challenges that prevent Pb-based halide perovskites from widespread utilization. Ideally, non-toxic alternatives can be identified while still maintaining the superior power conversion efficiency of the Pb-based perovskite solar cells. Using the currently most promising candidate, the Sn-based halide perovskites, as an example, we show that a trade-off exists between toxicity and efficiency in the Sn- versus Pb-based halide perovskites. Indeed, the dominant nonradiative recombination center in the Sn-based halide perovskites differs from the one in its Pb-based counterparts, resulting in the nonradiative capture coefficient in CsSnI 3 being an order of magnitude higher than that in CsPbI 3 . We attribute this difference to the band alignment. Here, our results indicate that development of halide perovskites beyond the Pb and Sn bases is essential for efficient yet environmentally friendly perovskite solar cells.

36 MATERIALS SCIENCE↗

Uptake and speciation of trace metal inputs to Wetland Soils from Illinois and South Carolina and Stream Sediments from Tennessee

Metals occur in all ecosystems, although their concentrations vary depending on their natural geologic conditions and surrounding human activities. In addition to metals intrinsically present from the geology of a particular system, metals can enter environmental systems from a wide variety of natural and anthropogenic sources, such as sediment re-suspension, mining operations, industrial processes, agricultural activities, and atmospheric deposition. While metals can be toxic at high concentrations, some metals serve as essential micronutrients for biogeochemical processes. Metal transport and availability in engineered and natural water systems depend on processes of adsorption/desorption, oxidation/reduction, dissolution/precipitation, and ligand complexation. Insights into the speciation of metals and their bioavailability will also help advance understanding of the roles of metals in the biogeochemical cycling of nutrients. We conducted batch experiments under anoxic conditions on soils and sediments collected from three different natural aquatic systems to understand their response to influxes of dissolved Cu, Ni and Zn. While soils and sediments from all sites could strongly bind added trace metals, there were substantial differences in trace metal uptake trends between different sites, especially for Cu. There was no distinct correlation between trace metal uptake and the total organic matter, iron, and sulfur content present in the samples. X-ray absorption spectroscopy indicated that the speciation of the freshly added metals taken up by the solids differs substantially from the speciation of the metals originally present in unamended samples. Cu sulfides dominated speciation at low loadings (1 µmol/g), whereas complexation to thiol groups and formation of metallic Cu governed speciation at high loadings (10 µmol/g). For Ni and Zn, adsorption to mineral surfaces and organic matter governed their speciation in materials from most sites. This study suggests that the background speciation of metals in natural aquatic systems is a poor predictor of the speciation and lability of metals introduced to terrestrial aquatic systems from anthropogenic or natural processes. Our findings imply that geochemical processes controlling trace metal speciation may vary considerably with metal loading in different natural systems. Data are provided for marsh wetland soils at Argonne National Laboratory (Marsh 1 and Marsh 2), riparian wetland soils (Riparian 1 and Riparian 2) in the Tims Branch watershed at Savannah River National Laboratory, and stream bed sediments (Stream 1 and Stream 2) from East Fork Poplar Creek near Oak Ridge National Laboratory. Data package includes the results of trace metal uptake experiments conducted on the selected sites for determining their capacity to immobilize metals under different loadings. XANES spectra for Cu, Ni, ad Zn at different loadings are included in the package. The abundance of different trace metal species obtained using linear combination fitting in ATHENA are also included in the data.

54 ENVIRONMENTAL SCIENCES↗

Citric Acid Functionalized Natural Fibers to Enhance Thermal Stability and Moisture Resistance in Polylactic Acid Composites

Cellulosic fibers can impart many unique benefits into composite applications, such as reduced weight or structural reinforcement; however, these materials also increase hygroscopicity and decrease thermal stability, restricting broader applications. The present work adapted an experimental process for functionalizing the cellulose surface using citric acid (CA) for three fibers: a 100% cellulose bleached soft Kraft pulp (e.g., creafill) and two natural fibers with similar composition but different fiber morphology, flax fiber and banana fiber. The process uses CA with a sodium hypophosphite (SHP) catalyst to chemically functionalize fiber surfaces, and the reaction mechanism was investigated through Fourier Transform Infrared Spectroscopy (FTIR), which suggested a grafting mechanism rather than a surface-based crosslinking between neighboring sites. Functionalized fibers were compounded into polylactic acid (PLA) at 20 wt.% to better understand how this functionalization might impact critical performance properties like thermal stability, crystallization, thermal mechanical properties, and water uptake of these composites. The study demonstrated varying levels of efficacy for the functionalization of cellulosic fibers with CA/SHP and the fiber with the most open microstructure, e.g., banana fiber, exhibited the largest change in its properties with a 38% reduction in water uptake compared to untreated banana fiber composites. Parallel evaluation of the functionalization process for different fibers demonstrates the importance of fiber morphology on surface modification and can enable their use in composites by demonstrating the efficacy of this potentially low-cost, low-toxicity method for reducing hygroscopicity and improving thermal stability.

citric acid↗

Conversion of CO 2 from power plant into CaCO 3 nanoparticles

Carbon dioxide (CO 2 ), a main composition of flue gas, represents a significant and largely untapped carbon resource. Herein, mediated by glycine (Gly), we captured and converted CO 2 into CaCO 3 nanoparticles using real flue gas from a power plant, demonstrating for the first time the feasibility of using amino acid to convert CO 2 from power plant flue gasses. The method did not require extraneous energy and CaCO 3 nanoparticles with a size of ∼25 nm were obtained. Moreover, the potential toxicity of CO 2 -converted nanoparticles was investigated. It appeared that both the initial CO 2 loading and the carbamate percentage significantly influence the shape and size of the CaCO 3 particles. Our method was also proven effective for flue gas with varying CO 2 concentrations (4 %, 12 %, and 20 %). By tuning flue gas bubbling time and flow rate to achieve consistent CO 2 loading and carbamate levels, we produced CaCO 3 nanoparticles with similar shapes and sizes across all CO 2 concentrations studied. In addition, our data indicated that although real flue gas contains small amounts of gases like oxygen and CO, they insignificantly influence the shape and size of our nanoparticles but did impact the phase component of CaCO 3 . In conclusion, the toxicity experiments found that CaCO 3 nanoparticles produced from both real flue gas and simulated flue gas exhibited concentration- and time-dependent effects on cell viability.

36 MATERIALS SCIENCE↗

Conductive Ink with Circular Life Cycle for Printed Electronics

Electronic waste carries energetic costs and an environmental burden rivaling that of plastic waste due to the rarity and toxicity of the heavy-metal components. Recyclable conductive composites are introduced for printed circuits formulated with polycaprolactone (PCL), conductive fillers, and enzyme/protectant nanoclusters. Circuits can be printed with flexibility (breaking strain ≈80%) and conductivity (≈2.1 × 10 4 S m -1 ). These composites are degraded at the end of life by immersion in warm water with programmable latency. Approximately 94% of the functional fillers can be recycled and reused with similar device performance. The printed circuits remain functional and degradable after shelf storage for at least 7 months at room temperature and one month of continuous operation under electrical voltage. Here, the present studies provide composite design toward recyclable and easily disposable printed electronics for applications such as wearable electronics, biosensors, and soft robotics.

36 MATERIALS SCIENCE↗

Calcium–Based Metal–Organic Frameworks and Their Potential Applications

Metal–organic frameworks (MOFs) built on calcium metal (Ca-MOFs) represent a unique subclass of MOFs featuring high stability, low toxicity, and relatively low density. Ca-MOFs show considerable potential for molecular separations, electronic, magnetic, and biomedical applications, although they are not investigated as extensively as transition metal-based MOFs. Compared to MOFs made of other groups of metals, Ca-MOFs may be particularly advantageous for certain applications such as adsorption and storage of light molecules because of their gravimetric benefit, and drug delivery due to their high biocompatibility. This review intends to provide an overview on the recent development of Ca-MOFs, including their synthesis, crystal structures, important properties, and related applications. Here, various synthetic methods and techniques, types of building blocks, structure and porosity features, selected physical properties, and potential uses will be discussed and summarized. Representative examples will be illustrated for each type of important applications with a focus on their structure–property relations.

36 MATERIALS SCIENCE↗