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At least 55 records · Page 3

Grid Value Analysis of Medium-Voltage Back-to-Back Converter on DER Hosting Enhancement

This paper presents an analysis of the value that can be realized by medium-voltage back-to-back (MVB2B) converters in terms of the increased utilization rate of distributed energy resources (DERs) and the improvement in operational conditions. A systematic, transferrable, and scalable methodology has been designed to analyze and quantify the increased DER value from three perspectives: 1) curtailment reduction of the DER generation, 2) size reduction of the energy storage needed to otherwise realize DER hosting levels, and 3) hosting capacity improvement of the DERs compared to the base distribution circuit capability. In the case study, the proposed methodology is applied to two utility distribution systems for analysis and quantification of the grid value of the MVB2B converter, installed in the distribution circuit, and provided to the solar photovoltaic (PV) DERs. Here, the analysis results demonstrate that the MVB2B converter can deliver significant value to the PV hosting enhancement of two adjacent distribution systems when they are connected by the MVB2B converter. Based on this case study, this paper analyzes and summarizes the approximate realized grid value of the MVB2B converter for distribution systems dominated by different shares of customer classes.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Use of Digital Real-Time Simulation and Optimization to Identify Maximum Real Power Injection on Banshee Distribution Network

This study investigates the hosting capacity of the Banshee Distribution Network by optimizing the real power injection at carefully selected Distributed Energy Resource (DER) locations. The analysis is conducted within the framework of power system operational constraints, including bus voltage ranges, thermal line ratings, and transformer loading limits. A Python-based Genetic Algorithm (GA), implemented using the PyGAD library, is employed to iteratively identify the optimal power injection configuration that maximizes network utilization while preserving system reliability. The methodology integrates a real-time simulation environment using the Real-Time Digital Simulator (RTDS), allowing high-fidelity evaluation of power flow and voltage behavior under each proposed injection scenario. By coupling the optimization algorithm with real-time simulation feedback, this approach ensures that both static and dynamic constraints are enforced during the evaluation process. The GA leverages evolutionary operators such as selection, crossover, and mutation to navigate the nonlinear search space efficiently. The results of the study delineate the feasible hosting capacity at three targeted buses, reflecting maximum real power levels that can be injected without causing voltage violations, transformer overloading, or line congestion. These findings provide a decision- support tool for distribution planners and utilities aiming to integrate higher penetrations of DERs in existing infrastructure. Additionally, the work lays the foundation for extending such optimization techniques to multi-objective formulations, including economic dispatch and reactive power coordination, in future studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Use of Digital Real-Time Simulation and Optimization to Identify Maximum Real Power Injection on the Banshee Distribution Network: Preprint

This study investigates the hosting capacity of the Banshee Distribution Network by optimizing the real power injection at carefully selected Distributed Energy Resource (DER) locations. The analysis is conducted within the framework of power system operational constraints, including bus voltage ranges, thermal line ratings, and transformer loading limits. A Python-based Genetic Algorithm (GA), implemented using the PyGAD library, is employed to iteratively identify the optimal power injection configuration that maximizes network utilization while preserving system reliability. The methodology integrates a real-time simulation environment using the Real-Time Digital Simulator (RTDS), allowing high-fidelity evaluation of power flow and voltage behavior under each proposed injection scenario. By coupling the optimization algorithm with real-time simulation feedback, this approach ensures that both static and dynamic constraints are enforced during the evaluation process. The GA leverages evolutionary operators such as selection, crossover, and mutation to navigate the nonlinear search space efficiently. The results of the study delineate the feasible hosting capacity at three targeted buses, reflecting maximum real power levels that can be injected without causing voltage violations, transformer overloading, or line congestion. These findings provide a decision- support tool for distribution planners and utilities aiming to integrate higher penetrations of DERs in existing infrastructure. Additionally, the work lays the foundation for extending such optimization techniques to multi-objective formulations, including economic dispatch and reactive power coordination, in future studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Deer Isle and Stonington Energy Reliability Opportunities

The towns of Deer Isle and Stonington, located on the island of Deer Isle in Maine, partnered with the U.S. Department of Energy's Energy Technology Innovation Partnership Project (ETIPP) to examine options to enhance energy resilience, reduce dependence on imported fuels, and mitigate high energy costs. With technical support from the National Laboratory of the Rockies (NLR), Lawrence Berkeley National Laboratory (LBNL), and regional partner the Island Institute, the project focused on evaluation of the local electricity distribution infrastructure, examination of ongoing activities to reduce the frequency of outages, review of the applicable policy and regulatory environment, and identification of potential on-site energy solutions. Key findings revealed the island's reliance on a single distribution line, and limited hosting capacity for additional distributed energy resources. Solar photovoltaics (PV) technology, with and without battery storage, was found to be the most viable technology given economic, technical, and social considerations. While also technically feasible, wind energy faces more difficult siting and less public acceptance compared to PV. Marine energy technologies were determined to be infeasible due to technology immaturity and lengthy permitting timelines. Modeling of potential building-scale PV plus storage systems resulted in successful grant applications for installations at two local facilities. Analysis of community scale energy generation and storage options resulted the local utility, Versant, submitting a grant application for a proposed community-scale battery storage system to increase grid resilience and hosting capacity. This initiative has strengthened the communities' energy planning capabilities and laid the groundwork for future clean energy development.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Viral afterlife: SARS-CoV-2 as a reservoir of immunomimetic peptides that reassemble into proinflammatory supramolecular complexes

It is unclear how severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection leads to the strong but ineffective inflammatory response that characterizes severe Coronavirus disease 2019 (COVID-19), with amplified immune activation in diverse cell types, including cells without angiotensin-converting enzyme 2 receptors necessary for infection. Proteolytic degradation of SARS-CoV-2 virions is a milestone in host viral clearance, but the impact of remnant viral peptide fragments from high viral loads is not known. Here, we examine the inflammatory capacity of fragmented viral components from the perspective of supramolecular self-organization in the infected host environment. Interestingly, a machine learning analysis to SARS-CoV-2 proteome reveals sequence motifs that mimic host antimicrobial peptides (xenoAMPs), especially highly cationic human cathelicidin LL-37 capable of augmenting inflammation. Such xenoAMPs are strongly enriched in SARS-CoV-2 relative to low-pathogenicity coronaviruses. Moreover, xenoAMPs from SARS-CoV-2 but not low-pathogenicity homologs assemble double-stranded RNA (dsRNA) into nanocrystalline complexes with lattice constants commensurate with the steric size of Toll-like receptor (TLR)-3 and therefore capable of multivalent binding. Such complexes amplify cytokine secretion in diverse uninfected cell types in culture (epithelial cells, endothelial cells, keratinocytes, monocytes, and macrophages), similar to cathelicidin’s role in rheumatoid arthritis and lupus. The induced transcriptome matches well with the global gene expression pattern in COVID-19, despite using <0.3% of the viral proteome. Delivery of these complexes to uninfected mice boosts plasma interleukin-6 and CXCL1 levels as observed in COVID-19 patients.

60 APPLIED LIFE SCIENCES↗

Minnesota Solar Pathways: Illuminating Pathways to 10% Solar (Final Technical Report)

The Minnesota Solar Pathways project, funded in part by the Department of Energy’s Solar Energy Technologies Office, was a three-year project designed to explore least-risk, best-value strategies for meeting the State of Minnesota’s solar goals. As part of this aim, the Pathways Team modeled renewable generation costs, examined ways to streamline interconnection, and evaluated technologies that can increase solar hosting capacity on the distribution grid. Midway through the project period, the Pathways Team expanded the scope of study using the same modeling framework from the Minnesota Solar Potential Analysis to estimate and compare generation costs for high renewables penetration scenarios across the Midcontinent Independent System Operator (MISO) region. The analysis concludes that it can be cheaper to overbuild solar + wind and curtail surplus than to store all generation. In addition, the analysis of individual MISO subregions compared with the whole region highlights the opportunities of enabling market potential compared with impact of ongoing transmission constraints. Beyond the analysis of future scenarios, the partnerships initiated and supported through this project underscored the ongoing need for work with stakeholders to address key issues, particularly around siting, and leverage symbiotic strategies to meet state goals.

14 SOLAR ENERGY↗

Improving Cloud-based Performance of Distribution Planning - Improvements to GridLAB-D

This report provides a high-level summary of the improvements to the GridLAB-D distribution analysis software, including work with GridUnity to focus the areas of improvement and test the final implementation. The improvements allow repetitive, time-series-based simulations, such as renewable hosting capacity studies, to show a 30% or more improvement in execution time. All improvements from this project are available on GridLAB-D’s open-source repository, with most of the changes migrated into the upcoming version 4.3 release of the software.

97 MATHEMATICS AND COMPUTING↗

The Role of the U.S. Electric Distribution System in Serving Data Center and Other Large Loads

The rapid expansion of data centers in the United States is reshaping how the electric distribution system must plan for and accommodate large load interconnections. This report evaluates the role of the distribution grid in serving these loads, from small edge facilities to hyperscale campuses. Using national datasets, utility filings, and industry studies, we assess demand growth, reliability requirements, interconnection thresholds, and infrastructure needs at substations and feeders. The analysis highlights the mismatch between fast data center development timelines and slower utility planning and construction cycles, as well as strategies such as phased energization, on-site generation, hosting capacity maps, and structured interconnection frameworks. While focused on data centers, the insights also apply to other high-density loads such as advanced manufacturing, hydrogen production, and electrified transportation. The report concludes with approaches to align planning processes, transparency tools, and regulatory frameworks so utilities can manage new large loads in ways that support a reliable and resilient grid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Evaluating the Feasibility of Transactive Approach for Voltage Management Using Inverters of a PV Plant

This article evaluates the feasibility of a double-auction-based Transactive Energy System (TES) for engaging the reactive power (Var) capability of inverters in a utility-scale pho¬tovoltaic (PV) plant for voltage management in distribution feed¬ers. In this approach, a PV plant owner (seller) provides Var supply curves in terms of price-quantity pairs consider¬ing the inverters’ P-Q capability, efficiency, opportunity cost for real power curtail¬ment, losses, etc. At the same time, the utility (buyer) proposes Var demand curves in price-quantity pairs exhibiting the marginal price of Var. Then, market clearing points are obtained from the intersection points of supply and demand curves which are then used to create Var dispatch sig-nals from the PV plant. To conduct a fea¬sibility study of this approach, an Australian distribution network with a utility-scale PV plant (capacity 3.275 MWP) is modeled in RSCAD and simu¬lated in real-time on MATLAB, RSCAD-RTDS co-simulation platform using real historical data. Consid¬ering a use case, namely, conservation voltage reduction (CVR), the operational feasibility along with cost-benefit analysis is demonstrated in software-in-the-loop (SIL) and hardware-in-the-loop (HIL) platform. Another use case, exploring the benefit from tap-change reduction of step-voltage-regulator, is investigated. These studies explore further use cases, e.g., PV hosting capacity, network reconfiguration, etc., to be incorporated in TES for experiencing substantial economic benefits.

Alam, Mollah Rezaul↗

Seasonal Cost-Benefit Analysis of Automated Distribution Feeder Upgrades with Advanced Mitigation Technologies

The increasing deployment of distributed solar photovoltaics (DPV) to meet clean energy goals can trigger adverse grid operation issues, such as voltage excursions and the violation of thermal loading constraints of the power delivery elements (e.g., lines and transformers) on the evolving electricity infrastructure. Such integration issues would require distribution upgrades with associated costs to mitigate them and to maintain reliable and resilient grid operating conditions. Traditional distribution network upgrade approaches use a specific single snapshot analysis that is overly conservative. This study considers a multi-time point analysis to capture both moderate (probable bounds) and extreme grid operating conditions using time points such as minimum load with minimum photovoltaics (PV), maximum load with maximum PV, maximum load with minimum PV, and minimum load with maximum PV. Further, this study investigates seasonal variation impacts and associated distribution upgrade costs for a spring season case (March, representing a low load and high PV scenario) and a summer case (July, representing a high load and high PV scenario). Such seasonal analysis will allow system operators to characterize upgrade requirements and associated costs across various periods. Because the spatial distribution of DPV can impact upgrade and associated costs, this study investigates three common DPV deployment scenarios - randomly deployed, close to the substation, and far from the substation - at different penetration levels. Apart from spatial distribution impacts, this project evaluates the techno-economic impacts of the nodal photovoltaic penetration factor (NPPF) for generating the various DPV deployment scenarios at increasing penetration levels. This project investigates the impact of varying nodal PV-to-load ratios using conservative and extreme NPPF values of 3 and 10, respectively. This study investigates the deployment of traditional infrastructure upgrade strategies, such as installing new voltage regulating equipment, transformers and lines replacements, and the activation of advanced inverter functionality (e.g., autonomous volt/VAR) in expanding PV hosting capacity. Existing DPV systems are assumed to operate with the legacy unity power factor, and we considered the possibility of retrofitting such systems with the activation of volt/VAR control as integration standards and regulations continue to evolve to allow such functions. The cost-benefit analysis metrics used in study include distribution upgrade costs, average cost per watt of the upgrade cost, average marginal cost per watt of the upgrade cost, and power losses.

14 SOLAR ENERGY↗

The effect of pore structure in ethane-selective metal-organic frameworks for ethylene purification

Separation of ethylene from ethane is of great importance in petrochemical industry. Adsorptive separation making use of porous materials such as metal-organic frameworks (MOFs) is an energy efficient technology compared to the conventional cryogenic distillation. However, preferential adsorption of ethylene over ethane represents the major current challenge. Here we demonstrate how pore structure can significantly alter the adsorption selectivity in two isoreticular Zr-MOFs. A simple ligand functionalization in UiO-66 yields smaller/better matching pore for ethane, and weaker interaction with ethylene, greatly enhancing ethane/ethylene selectivity in MOF-801. Ab initio calculations combined with in situ infrared spectroscopic analysis unveil the nature of host-guest interactions and differences in the overall binding energies. Polymer-grade ethylene (99.9%) can be produced directly from ethane/ethylene mixture in a single step. Having well-balanced adsorption capacity and selectivity, low-cost synthesis and easy scalability MOF-801 stands out as a promising ethane-selective adsorbent for one-step ethylene purification under ambient conditions.

36 MATERIALS SCIENCE↗

Azospirillum brasilense Bacteria Promotes Mn2+ Uptake in Maize with Benefits to Leaf Photosynthesis

Azospirillum brasilense is a prolific grass-root colonizing bacteria well-known for its ability to promote plant growth in several cereal crops. Here we show that one of the mechanisms of action in boosting plant performance is through increased assimilation of the micronutrient manganese by the host. Using radioactive 52Mn2+ (t½ 5.59 d), we examined the uptake kinetics of this micronutrient in young maize plants, comparing the performance of three functional mutants of A. brasilense, including HM053, a high auxin-producing and high N2-fixing strain; ipdC, a strain with a reduced auxin biosynthesis capacity; and FP10, a strain deficient in N2-fixation that still produces auxin. HM053 had the greatest effect on host 52Mn2+ uptake, with a significant increase seen in shoot radioactivity relative to non-inoculated controls. LA-ICP-MS analysis of root sections revealed higher manganese distributions in the endodermis of HM053-inoculated plants and overall higher manganese concentrations in leaves. Finally, increased leaf manganese concentration stimulated photosynthesis as determined by measuring leaf fixation of radioactive 11CO2 with commensurate increases in chlorophyll concentration.

59 BASIC BIOLOGICAL SCIENCES↗

Digital Twin for Optimizing Real-time Economy of the Integrated Energy Systems

Economic and safe operation of integrated energy systems (IES) requires real-time optimization (RTO) of the control and actions conducted on each system component. In this regard, digital twins (DTs), which consist of a physical system, a virtual system, and the data communication that occurs between the two, are essential for effective RTO. Through the data warehouse, the virtual system is constantly updated with real-time data from the physical system, and functions as the model in the optimization framework. The reduced-order model of the dynamic process model in the virtual system is used in the optimization framework. The optimization results are then returned, via the data warehouse, as control actions to the physical system. This work demonstrates the software capabilities of DT assets for an IES in the context of preparing a DT for an experimental system comprised of Idaho National Laboratory (INL)’s Thermal Energy Delivery System and battery system. For the virtual demonstration, the DTs encompass (1) a physical system, including the Modelica models of the Thermal Energy Delivery System and the battery system; (2) virtual optimization via the Optimization of Real-Time Capacity Allocation (ORCA) platform; and (3) the open-source data warehouse software DeepLynx. This work assesses the performance of ORCA, which utilizes a reduced-order model built using the Risk Analysis Virtual Environment (RAVEN) and trained on the Modelica models and real-time data pipeline through the graph database hosted in DeepLynx. The proposed optimization workflow will be an RTO model based on DTs and the data they generate.

25 ENERGY STORAGE↗

Pushing the Limits: Maximizing Energy Density in Silicon Sulfide Solid‐State Batteries

Here, for the first time, we demonstrate a silicon solid-state battery (SSB) architecture that achieves >400 Wh kg −1 , approaching the theoretical limit for silicon-based SSBs. This configuration features a 99.9 wt% micro-Si, a thin sulfide solid electrolyte (SSE), and a high-loading NMC811. Key to these results is strategically selecting and evaluating the processing techniques, whether wet or dry, for the negative electrode, positive electrode and thin sheet-type SSE. Excessive lithium incorporation into the silicon host, beyond the Li 3.75 +Si phase to form a LiSi composite, is essential to match the high capacity of the positive electrode. This SSB achieves over 1000 cycles for a 2 mAh cm −2 with ≈80% capacity retention and 94% capacity retention for 3 mAh cm −2 over 500 cycles at 25 °C. Post analysis identifies the primary capacity decay mechanisms as oxidation at the NMC/SSE interface and structural disruptions within NMC. Meanwhile, the Si electrode maintains a robust solid-electrolyte interphase layer, minimizing capacity decay. This study highlights the necessity for improved NMC coatings, lattice oxygen stabilization, and a durable positive electrode-electrolyte interface to improve the long-term stability of SSBs. Strategies leading to a single-layer pouch cell SSB exceeding 400 Wh kg −1 are developed.

25 ENERGY STORAGE↗

Canted antiferromagnetic phases in the candidate layered Weyl material EuMnSb 2

EuMnSb 2 is a candidate topological material which can be tuned towards a Weyl semimetal, but there are differing reports for its antiferromagnetic (AFM) phases. The coupling of bands dominated by pure Sb layers hosting topological fermions to Mn and Eu magnetic states provides a potential path to tune the topological properties. In this study we present single-crystal neutron diffraction, magnetization, and heat-capacity data as well as polycrystalline 151 Eu Mössbauer data which show that three AFM phases exist as a function of temperature, and we present a detailed analysis of the magnetic structure in each phase. The Mn magnetic sublattice orders into a C-type AFM structure below T N Mn = 323 (1) K with the ordered Mn magnetic moment μ Mn lying perpendicular to the layers. AFM ordering of the Eu sublattice occurs below T N Eu1 = 23 (1) K with the ordered Eu magnetic moment μ Eu canted away from the layer normal and μ Mn retaining its higher temperature order. μ Eu is ferromagnetically aligned within each Eu layer but exhibits a complicated AFM layer stacking. Both of these higher-temperature phases are described by magnetic space group (MSG) $\mathcal{Pn'm'a'}$ with the chemical and magnetic unit cells having the same dimensions. Cooling below T N Eu2 =9 (1) K reveals a third AFM phase where μ Mn remains unchanged but μ Eu develops an additional substantial in-plane canting. This phase has MSG $\mathcal{P11}$ $\frac{2_1}{a&prime;}$. We also find some evidence of short-range magnetic correlations associated with the Eu between 12 K≲ T≲ 30 K . Using the determined magnetic structures, we postulate the signs of nearest-neighbor intralayer and interlayer exchange constants and the magnetic anisotropy within a general Heisenberg model. We then discuss implications of the various AFM states in EuMnSb 2 and their potential for tuning topological properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Role of Transition Metals on Chemo-Mechanical Instabilities in Prussian Blue Analogues For K-Ion Batteries: The Case Study on KNHCF Versus KMHCF

Prussian blue analogues (PBAs) cathodes can host diverse monovalent and multivalent metal ions due to their tunable structure. However, their electrochemical performance suffers from poor cycle life associated with chemo-mechanical instabilities. This study investigates the driving forces behind chemo-mechanical instabilities in Ni- and Mn-based PBAs cathodes for K-ion batteries by combining electrochemical analysis, digital image correlation, and spectroscopy techniques. Capacity retention in Ni-based PBA is 96% whereas it is 91.5% for Mn-based PBA after 100 cycles at C/5 rate. During charge, the potassium nickel hexacyanoferrate (KNHCF) electrode experiences a positive strain generation whereas the potassium manganese hexacyanoferrate (KMHCF) electrode undergoes initially positive strain generation followed by a reduction in strains at a higher state of charge. Overall, both cathodes undergo similar reversible electrochemical strains in each charge–discharge cycle. There is ~0.80% irreversible strain generation in both cathodes after 5 cycles. XPS studies indicated richer organic layer compounds in the cathode-electrolyte interface (CEI) layer formed on KMHCF cathodes compared to the KNHCF ones. Faster capacity fades in Mn-based PBA, compared to Ni-based ones, is attributed to the formation of richer organic compounds in CEI layers, rather than mechanical deformations. In conclusion, understanding the driving forces behind instabilities provides a guideline to develop material-based strategies for better electrochemical performance.

25 ENERGY STORAGE↗

Remarkably coherent population structure for a dominant Antarctic Chlorobium species

Background: In Antarctica, summer sunlight enables phototrophic microorganisms to drive primary production, thereby “feeding” ecosystems to enable their persistence through the long, dark winter months. In Ace Lake, a stratified marine-derived system in the Vestfold Hills of East Antarctica, a Chlorobium species of green sulphur bacteria (GSB) is the dominant phototroph, although its seasonal abundance changes more than 100-fold. Here, we analysed 413 Gb of Antarctic metagenome data including 59 Chlorobium metagenome-assembled genomes (MAGs) from Ace Lake and nearby stratified marine basins to determine how genome variation and population structure across a 7-year period impacted ecosystem function. Results: A single species, Candidatus Chlorobium antarcticum (most similar to Chlorobium phaeovibrioides DSM265) prevails in all three aquatic systems and harbours very little genomic variation (≥ 99% average nucleotide identity). A notable feature of variation that did exist related to the genomic capacity to biosynthesize cobalamin. The abundance of phylotypes with this capacity changed seasonally ~ 2-fold, consistent with the population balancing the value of a bolstered photosynthetic capacity in summer against an energetic cost in winter. The very high GSB concentration (> 10 8 cells ml –1 in Ace Lake) and seasonal cycle of cell lysis likely make Ca. Chlorobium antarcticum a major provider of cobalamin to the food web. Analysis of Ca. Chlorobium antarcticum viruses revealed the species to be infected by generalist (rather than specialist) viruses with a broad host range (e.g., infecting Gammaproteobacteria) that were present in diverse Antarctic lakes. The marked seasonal decrease in Ca. Chlorobium antarcticum abundance may restrict specialist viruses from establishing effective lifecycles, whereas generalist viruses may augment their proliferation using other hosts. Conclusion: The factors shaping Antarctic microbial communities are gradually being defined. In addition to the cold, the annual variation in sunlight hours dictates which phototrophic species can grow and the extent to which they contribute to ecosystem processes. The Chlorobium population studied was inferred to provide cobalamin, in addition to carbon, nitrogen, hydrogen, and sulphur cycling, as critical ecosystem services. The specific Antarctic environmental factors and major ecosystem benefits afforded by this GSB likely explain why such a coherent population structure has developed in this Chlorobium species.

59 BASIC BIOLOGICAL SCIENCES↗

Design and Characterization of Metal Nanoparticle Infiltrated Mesoporous Metal–Organic Frameworks

The infiltration of palladium and platinum nanoparticles (NPs) into the mesoporous metal–organic framework (MOF) CYCU-3 through chemical vapor infiltration (CVI) and incipient wetness infiltration (IWI) processes was systematically explored as a means to design novel NP@MOF composite materials for potential hydrogen storage applications. We employed a traditional CVI process and a new "green" IWI process using methanol for precursor infiltration and reduction under mild conditions. Transmission electron microscopy-based direct imaging techniques combined with synchrotron-based powder diffraction (SPD), energy-dispersive X-ray spectroscopy, and physisorption analysis reveal that the resulting NP@MOF composites combine key NP and MOF properties. Room temperature hydrogen adsorption capacities of 0.95 and 0.20 mmol/g at 1 bar and 2.9 and 1.8 mmol/g at 100 bar are found for CVI and IWI samples, respectively. Additionally, hydrogen spillover and/or physisorption are proposed as the dominating adsorption mechanisms depending on the NP infiltration method. Mechanistic insights were obtained through the crystallographic means using SPD-based difference envelope density analysis, providing previously underexplored details on NP@MOF preparations. Consequently, important host–guest correlations influencing the global hydrogen adsorption properties are discussed, and they demonstrate that employing MOFs as platforms for NPs is an alternative approach to the development of versatile materials for improving current hydrogen storage technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗