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Role of Intradomain Heterogeneity on Ion and Polymer Dynamics in Block Polymer Electrolytes: Investigating Interfacial Mobility and Ion-Specific Dynamics and Transport

Block polymers show promise as solid-state battery electrolytes due to the optimization of conductive and mechanical properties enabled via tuning of block chemistry and length. We investigate a polystyrene-block-poly(oligo-oxyethylene methacrylate) (PS-b-POEM) electrolyte doped with various lithium salts to investigate the role of molecular structure on ion transport properties and on local ion dynamics and associations. Anion charge becomes more delocalized with increasing size, reducing the coupling between salt ions while increasing coupling between ion and polymer chain motions and creating a more mobile overall environment. We observe support for this ion-polymer coupling via 1 H, 7 Li and 19 F NMR spectroscopy, from which we obtain ion-specific mobility transition temperatures that differ from the polymer glass transition temperature. We also note faster transport and weaker local energetic interactions with anion size using temperature-dependent NMR diffusometry. 1 H NMR spectroscopy further elucidates polymer chain dynamics and enables quantification of the temperature-dependent fraction of the conducting block that is immobile near the PS-POEM domain interface. As a result, NMR thus represents a species-specific and timescale-specific platform to quantify phase and interface behavior, and to correlate ion-specific transport with polymer chain dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The SURE House (Solar Decathlon 2015)

Coastal towns and cities across the Northeastern US, with their high population density, aged utility infrastructure, and unique geography, are increasingly vulnerable to climate change related storm events. In October 2012 superstorm Sandy highlighted the fragility of our current coastal building types and made clear the need for a new model of design and construction which works to understand and mitigate these weaknesses. Dramatic changes in public policy, championed by both The Federal Emergency Management Agency (FEMA) and the National Flood Insurance Program (NFIP) are driving the rebuilding of these shore communities, often resulting in costly renovations, un-sustainable neighborhood configurations and in direct conflict with concurrent government policies such as The American with Disabilities Act (ADA). The SURE HOUSE demonstrates a series of new design solutions to these conflicting public policies and environmental imperatives. At Stevens Institute of Technology, the 2015 Solar Decathlon started with the challenge: Can we design a home for coastal New Jersey that dramatically reduces its energy use while protecting itself from the realities of a changing, more extreme climate? The SURE HOUSE merges the iconic 20th century shore home with 21st century building science. Utilizing innovative renewable energy technologies, a ‘Passive House’ level building envelope, and rugged glass-fiber-composite materials to flood-proof the home, the SURE HOUSE is a high-performance, net-zero-energy home, armored against extreme weather, designed for the contemporary lifestyle of the Jersey Shore and other vulnerable coastal communities. SUSTAINABLE At Stevens, we recognize that energy use in the home and workplace is directly connected to the growing problem of climate change. Reducing our energy consumption by designing higher performing, compact homes that are both functional, comfortable and desirable is the first critical step towards a modern, sustainable architecture for New Jersey and beyond. This is what informed the architectural design of the house. Configured about a compact form, thickly insulated and air-sealed walls eliminate thermal bridging and minimize energy losses while advanced glazing brings in free solar heat during the winter months. As a result of these passive design strategies, the SURE HOUSE has a greatly reduced carbon footprint requiring 91% less energy than a typical New Jersey home. Photovoltaic (PV) arrays on both the rooftop and operable shutters easily provide energy in excess of the home’s modest demands. The Stevens team considers a truly sustainable home in the era of climate change, one that prioritizes low energy use, and integrates right-sized renewable generation to supply the home’s needs. Low consumption, low production. RESILIENT In October of 2012, Hurricane Sandy wreaked havoc along the east coast of the US. In New Jersey alone there was an estimated 29.4 billion dollars in damages, 346,000 homes affected, and almost two and a half million people left without power, in some cases for over 10 days. Recovery from this storm and associated flooding is ongoing to this day, as many New Jersey homeowners grapple with the large costs of rebuilding and struggle to adapt to complicated new home building regulations. Damage from this storm to Hoboken, the home of the Stevens Institute of Technology’s campus, and to the New Jersey shore was extensive and many students on the SURE HOUSE team were directly affected by this historic event. The Stevens design team recognizes that in a world of more frequent and stronger storms, the ability to absorb and adapt to change is more important than ever. Successfully weathering the next storm and its aftermath is one of the primary goals in the design of the SURE HOUSE prototype. The SURE HOUSE introduces unique ‘dry flood-proofing’ methods to residential construction. Innovative wall and floor flood-proofing, utilizing durable composite sheathing materials adapted from the boating industry, were developed by the student team to render the SURE House’s building envelope flood proof up to the FEMA AE 6/7 Zone (+ 6/7 feet of water above sea-level). Designed and fabricated utilizing glass-fiber composite materials, the custom storm shutter system serves to protect the large glazed openings of the home from both air-borne debris impact and water infiltration during a storm event while also providing deterrence from the vandalism that often occurs in the aftermath of a calamitous event. During extended power outages, a ‘resilient’ solar array is capable of supplying critical amounts of energy and hot water to the home, without the use of battery storage or grid infrastructure. PV Description AC GRID-TIED PV SYSTEM The SURE HOUSE solar system consists of two distinct arrays, the grid-tied rooftop array which produces AC Powerand the shutter-mounted array which converts DC power generated by the modules directly into usable heat for the domestic hot water (DHW). The roof-mounted AC grid-tied array is comprised of three strings, two 11 module strings connected to an SMA SB 5000TL-US-223 inverter and a single 10 module string equipped and an SMA SB 3000TL-US-22 central inverter. All modules for the rooftop AC array are LG MonoX 2804 watt solar panels, chosen for their durability and efficiency. Inverter sizing and string size are optimized to the electrical characteristics of the chosen PV modules and the desired energy production, see Appendix 5B. The SURE HOUSE is projected to produce 12,353 kWh per year to meet 6,157 kWh per year of estimated consumption. Solar modules for the two AC grid-tied sub arrays are mounted on the main roof surface of the SURE HOUSE with a 10 degree tilt angle using a partially-ballasted polyethylene roof mounting system made by Renusol, which is particularly suited to the corrosive salt air of a coastal environment. This method was chosen for its installation simplicity and to limit detrimental roof penetrations. The 10 degree tilt optimizes the energy generated per roof area at a lower price, see Appendix 5A, and ensures that there is minimal wind uplift. DC SOLAR ELECTRIC DOMESTIC HOT WATER The SURE HOUSE’s approach to sustainable and resilient domestic hot water (DHW) consists of a unique, custom engineered DC solar electric hot water system. Employing the use of Advanced Energy’s DC electric PV heater (DCPVH)5 to heat domestic water well beyond the draw temperature, the SURE HOUSE is able to obtain a remarkably high solar fraction of 75% or more. The custom modified 80 gallon Vaughn DHW tank acts as a large solar ‘battery’ that stores heat energy in the form of hot water at almost 150 degrees, harvesting energy when the sun is out for use later in the day or overnight. The system, which uses electricity rather than heated fluid, is distinct from traditional ‘solar thermal’ systems by eliminating the dangers and associated maintenance issues of fluid based systems. By forgoing the use of external fluid loops, overheated solar collectors and pipes are not an issue for the SURE HOUSE system which never needs any yearly or seasonal flushing. In weather conditions where the integrated DCPVH unit cannot produce enough hot water via solar energy alone, the Vaughn hot water tank comes factory made with an AC powered 2.6 COP heat pump and a AC heating coil that serve as back-up heating elements. The DCPVH is powered by a DC array consisting of 10 custom-made Solbian by PVilion 180 watt, monocrystalline, flexible solar modules6. The Solbian modules are directly mounted to the top half of the operable storm shutters on the south façade of the SURE HOUSE. The SURE HOUSE team worked closely with PVillion, a PV system designer specializing in flexible architectural photovoltaics, to design an adhesive system that works with the glass-fiber storm shutter surface in a reliable manner over an extended period. Because this system operates in DC-only mode and never connects to the municipal power grid, the system can continue to create hot water safely and effectively even during grid disruption events. This hot water, and the energy stored within it, could be used for a range of activities including washing and cooking to more elaborate hydronic heating systems as desired. See Appendix 6 for system engineering, sizing and modeling.

14 SOLAR ENERGY↗

Macro Analysis to Estimate Electric Vehicles Fast-Charging Infrastructure Requirements in Small Urban Areas

Electric vehicles (EVs) are known to reduce emissions and fossil fuel dependency. However, the limited range, long charging time, and inadequate charging infrastructure have hampered the adoption of EVs. The current EV charging infrastructure planning studies and tools require detailed information, extensive resources, and skills that can be a significant barrier to urban areas for finding the required charging infrastructure to support a targeted EV market share. This study generates regression models to estimate the number of direct current fast charging stations and the chargers to support the EV charging demand for urban areas. These models provide macro-level estimates of the required infrastructure investment in urban areas, which can be easily implemented by policy-makers and city planners. This study incorporates data obtained from applying a disaggregate optimization-based charger placement model, developed recently by the same authors, for multiple case studies to generate the required data to calibrate the macro-level models, in the state of Michigan. This simulated data set includes the number of charging stations and chargers for each market share, technology advancement scenario, and the transportation network topology. The results show that the number of charging stations reduces with battery size and charging power and increases with EV market share and the road network lane length. The number of chargers reduces with charging power, whereas it increases with battery size, EV market share, and vehicle miles traveled in the system. The model developed here can be applied to any state having urban characteristics and weather conditions similar to Michigan.

Engineering↗

Layered Li{sub 1+x}(Ni{sub 0.33}Co{sub 0.33}Mn{sub 0.33})O{sub 2} cathode material prepared by microwave assisted solvothermal method for lithium ion batteries

Highlights: • Microwave assisted solvothermal method. • Effect of (0.05–0.2) mol% of excess lithium in layered Li{sub 1+x}(Ni{sub 0.33}Co{sub 0.33}Mn{sub 0.33})O{sub 2}. • Different calcination temperature. • Voltage-cut off optimization. • Conductivity and electrochemical performance correlation. - Abstract: Layered hexagonal structure Li{sub 1+x}(Ni{sub 0.33}Co{sub 0.33}Mn{sub 0.33})O{sub 2} (LNCM) (x = 0, 0.05, 0.1, 0.15 and 0.2 mol%) compounds were prepared by microwave assisted solvothermal method at two different calcination temperature of 850 and 950 °C. The phase purity of the LNCM compounds was confirmed by Rietveld refined XRD pattern, Raman, and HRTEM studies. The average particle sizes were in the submicron range as confirmed by SEM and TEM analysis. Galvanostatic cycling studies were made in various voltage range, 2.5 to 4.4/4.6/4.8 V at a current rate of 0.2 C. Among all the compounds, LNCM prepared at 950 °C (HS3) exhibited an initial discharge capacity of 197 mAh/g and maintained a capacity of 180 mAh/g at the end of 40{sup th} cycle in 2.5–4.6 V window, indicating an excellent capacity retention. HS3 shows the electrical conductivity of 9.31 × 10{sup −6} S/cm, which was higher than all the other compounds and discussed the reason for the improved electrochemical performance.

36 MATERIALS SCIENCE↗

Evaluating Utility-Scale PV-Battery Hybrids in an Operational Model for the Bulk Power System

Systems that combine solar photovoltaic and battery energy storage technologies (PV-BES) are increasingly being proposed and deployed on the bulk power system. The operations and value of PV-BES systems have been extensively studied from the project developer's perspective through analyses that maximize plant-level revenue. However, PV-BES hybrids' operational characteristics are seldom studied from the perspective of bulk power system operators, who seek to optimize the performance of a suite of generation and storage assets that are connected via the transmission network. This work presents modeling approaches for representing and evaluating PV-BES hybrids in a model that optimizes operations across the bulk power system. Its novel contributions include demonstrating a technique to modify a unit commitment and dispatch model to represent the operational synergies of PV-BES hybrids. In particular, we describe the challenges and an approach for representing so-called DC-coupled PV-BES - which utilize a single bi-directional inverter - as a dispatchable resource in a commercial, production cost model (PCM), PLEXOS. We demonstrate this technique in a PCM study of the Los Angeles Department of Water and Power (LADWP) test system, by replacing existing PV and battery generators on the test system with our PV-BES hybrids. We then pursue scenario analysis that is designed to isolate the various drivers of operational strategies for DC-coupled PV-BES hybrids, including the nature of coupling, PV penetration on the system, and varying inverter loading ratios (or degrees of over-sizing of the PV field). Results from the analysis include utilization profiles for the PV DC energy across available pathways, dispatch profiles for the battery component, and the hybrid technologies' impacts on system-wide production costs. The approach presented in this paper can be used in any PCM that is looking to study PV-BES hybrids as a resource in different power system configurations and services.

14 SOLAR ENERGY↗

Assessing geothermal/solar hybridization – Integrating a solar thermal topping cycle into a geothermal bottoming cycle with energy storage

Geothermal and concentrating solar power (CSP) technologies typically use heat at different temperatures in their commercial deployments. This enables a technically viable hybridization of a solar topping cycle and a geothermal bottoming cycle at locations where both resources are available. In this article, an underperforming geothermal power system based at Burley, Idaho is used as a baseline to investigate the technical and economic potential of such a hybrid cycle. A direct thermal energy storage (TES) system is also integrated to overcome the intermittency of the solar resource. Design and off-design behavior of key components are modelled to simulate the annual performance of the hybrid system on an hourly basis. The sizing of the solar field and thermal storage is investigated and is seen to significantly impact the annual electricity generation and efficiency. Various cost scenarios for the solar field and thermal energy storage are investigated. An economic metric - levelized cost of electricity (LCOE) - is used to optimize the solar field sizing and TES capacity. The hybrid plant converts the additional solar heat input into additional work with an efficiency of 32.9%. Retrofitting a geothermal plant with solar and eight hours of energy storage can achieve an LCOE of 0.136 $/kWhe in current cost scenarios and 0.081 $/kWhe in a future cost reduction scenario. Although the hybrid system cannot directly compete with current PV systems without batteries, it has an LCOE 32% lower than that of a PV-battery system. This paper provides insights into the research and development of the future grid with a high renewable energy penetration and encourages further study of energy hybridization for improved efficiencies and economics.

15 GEOTHERMAL ENERGY↗

PVP-assisted enhancement in ion storage performance of sol-gel derived nano-structured NiCo2O4 thin films as battery-type electrode

Highlights: • Polyvinylpyrrolidone was used to increase the porosity of the sol-gel derived nickel-cobaltite thin films for the first time. • Polymer content of the films was completely degraded during the heating process. • Increase of porosity significantly improved the electrochemical ion storage performance of the fabricated thin films. • Polymer content of the solutions was optimized to obtain the maximum electrochemical capacity. - Abstract: NiCo{sub 2}O{sub 4} thin films were successfully deposited on glass and ITO substrates by sol-gel method. In order to improve the electrochemical ion storage performance, different amounts of polyvinylpyrrolidone (PVP) were added to the solutions as porogen agent, which was totally degraded during the post-annealing process at 500 °C, as confirmed by Fourier transform infrared (FTIR) spectroscopy. The electrode with about 0.07 g/cm{sup 3} PVP content in the solution, exhibited 65% higher specific capacity comparing with the electrode fabricated without PVP, due to significant nano-sized porosity remained after degradation of polymer chains, as displayed by field emission scanning electron micrographs (FESEM) of the surface and cross section of the samples. Also the electrochemical measurements in 1 M KOH aqueous electrolyte revealed the ion storage mechanism of the fabricated samples is battery-type.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

System benefits of industrial battery storage: A comparison of grid and facility control and dispatch

Customer-owned, distributed battery installations are being incentivized by utilities to increase installed battery capacity. In many of these incentive agreements, the battery owner relinquishes battery control to the utility in exchange for incentive money. The industrial sector has lagged in storage installation when compared to the residential and commercial sectors. This study compares the economic advantages to utilities and industrial facilities in different dispatch control situations. The study presents a novel framework for the optimization of multiple systems using load profiles from the industrial, residential, and commercial sectors. Case studies are presented to illustrate different dispatch scenarios. Further, the simulations showed more fiscal benefit for the industrial facilities to dispatch the battery for electrical demand reduction than utility dispatch. In the case studies, facility dispatch control resulted in an increase of facility savings by a factor of about 8.7 when compared to utility dispatch. Battery size plays a significant factor on the impact of the grid’s generating costs, showing that larger batteries can provide significant benefit even if dispatched by the facility. Future policies concerning industrial battery installations should consider overall economic benefits to utility and facility in the form of rate structures and incentive participation based on battery size.

25 ENERGY STORAGE↗

Evaluating the resilience benefits of marine energy in microgrids

Marine energy resources could promote clean energy and resilience of coastal and island microgrids, and thus, these applications are a key future market for marine energy development. To demonstrate these benefits, this paper illustrates how inclusion of wave resources into energy resilience solutions can improve overall grid efficiency and sustainability, as well as maintain electricity supply during grid outages. The paper describes a case study evaluation of the potential to add wave energy to the Moloka'i grid as Hawaii strives to meet a 100% clean energy target. The Microgrid Component Optimization for Resilience tool is used to simulate operation in off-grid conditions and size different combinations of wave, solar photovoltaic (PV), wind, storage, and fuel resources required to meet resilience objectives. This research investigates how including wave resources in a microgrid contributes to reducing or eliminating biofuel generation, producing a zero-greenhouse gas emission profile in the latter case, and avoiding the over-sizing of PV and battery systems to accommodate periods of unavailability or high demand. Insight from this paper supports the value proposition of wave resources for future markets and informs the relationship between marine generators and microgrids or isolated grids.

16 TIDAL AND WAVE POWER↗

Novel Control Strategy for Multiple Run-of-the-River Hydro Power Plants to Provide Grid Ancillary Services

Electricity generated by Hydropower Plants (HPPs) contributes a considerable portion of bulk electricity generation and delivers it with a low carbon footprint. In fact, HPP electricity generation provides the largest share from renewable energy resources, which includes solar and wind energy. The increasing penetration of wind and solar penetration leads to a lowered inertia in the grid and hence poses stability challenges. In recent years, breakthrough in energy storage technologies have demonstrated the economic and technical feasibility of extensive deployments in power grids. Multiple ROR HPPs if integrated with scalable, multi time-step energy storage so that the total output can be controlled. Although, the size of a single energy storage is far smaller than that of a typical reservoir, cohesively managing multiple sets of energy storage distributed in different locations is proposed. The ratings of storages and multiple ROR HPPs approximately equals the rating of a large, conventional HPP. The challenges associated with the system architecture and operation are described. Energy storage technologies such as supercapacitors, flywheels, batteries etc. can function as a dispatchable synthetic reservoir with a scalable size of energy storage will be integrated. Supercapacitors, flywheels, and battery are chosen to provide fast, medium, and slow responses to support grid requirements. Various dynamic and transient power grid conditions are simulated and performances of integrated ROR HPPs with energy storage is provided. The end goal of this research is to investigate the inertial equivalence of a large, conventional HPP with a unique set of multiple ROR HPPs and optimally rated energy storage systems.

13 HYDRO ENERGY↗

An investigation on the impact of halidization on substituted dimethoxybenzenes

Functionalized organic molecules are emerging as charge storage materials in electrochemical technologies as the breadth and diversity of the organic design space offers the possibility of purpose-built materials with property sets optimized for a particular application. First developed as overcharge protection materials in lithium-ion batteries, substituted dialkoxybenzenes represent a potentially promising molecular platform for advancing soluble charge storage materials. In this study, we systematically substitute a series of halide groups at the 2- and 5-positions of the 1,4-dimethoxybenzene core, investigate the impact the halide groups have on molecular properties using electrochemical and spectroscopy methods, and compare these results to those of 2,5-dimethyl-1,4-dimethoxybenzene (25DDB), a previously reported derivative. In general, we observe that introduction of heavy halogen atoms leads to decreased gravimetric capacity as compared to 25DDB, but concomitantly improves solubility and redox potentials. As the halide functional group increases in size, the active material becomes less stable in its oxidized state as evinced by both cyclic voltammetry and bulk electrolysis cycling. None of the halogenated species are as stable as 25DDB indicating that these materials may be better suited for applications with more rapid cycling conditions (e.g., redox shuttling). More broadly, these results may serve as a useful data set for computational methods for materials discovery and optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

PdMo bimetallene for oxygen reduction catalysis

The efficient interconversion of chemicals and electricity through electrocatalytic processes is central to many renewable-energy initiatives. The sluggish kinetics of the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) has long posed one of the biggest challenges in this field, and electrocatalysts based on expensive platinum-group metals are often required to improve the activity and durability of these reactions. The use of alloyingsurface strain and optimized coordination environments has resulted in platinum-based nanocrystals that enable very high ORR activities in acidic media; however, improving the activity of this reaction in alkaline environments remains challenging because of the difficulty in achieving optimized oxygen binding strength on platinum-group metals in the presence of hydroxide. Here we show that PdMo bimetallene—a palladium–molybdenum alloy in the form of a highly curved and sub-nanometre-thick metal nanosheet—is an efficient and stable electrocatalyst for the ORR and the OER in alkaline electrolytes, and shows promising performance as a cathode in Zn–air and Li–air batteries. The thin-sheet structure of PdMo bimetallene enables a large electrochemically active surface area (138.7 square metres per gram of palladium) as well as high atomic utilization, resulting in a mass activity towards the ORR of 16.37 amperes per milligram of palladium at 0.9 volts versus the reversible hydrogen electrode in alkaline electrolytes. This mass activity is 78 times and 327 times higher than those of commercial Pt/C and Pd/C catalysts, respectively, and shows little decay after 30,000 potential cycles. Density functional theory calculations reveal that the alloying effect, the strain effect due to the curved geometry, and the quantum size effect due to the thinness of the sheets tune the electronic structure of the system for optimized oxygen binding. Finally, given the properties and the structure–activity relationships of PdMo metallene, we suggest that other metallene materials could show great promise in energy electrocatalysis.

25 ENERGY STORAGE↗

Computational optimization of synthetic water channels.

Membranes for liquid and gas separations and ion transport are critical to water purification, osmotic energy generation, fuel cells, batteries, supercapacitors, and catalysis. Often these membranes lack pore uniformity and robustness under operating conditions, which can lead to a decrease in performance. The lack of uniformity means that many pores are non-functional. Traditional membranes overcome these limitations by using thick membrane materials that impede transport and selectivity, which results in decreased performance and increased operating costs. For example, limitations in membrane performance demand high applied pressures to deionize water using reverse osmosis. In contrast, cellular membranes combine high flux and selective transport using membrane-bound protein channels operating at small pressure differences. Pore size and chemistry in the cellular channels is defined uniformly and with sub-nanometer precision through protein folding. The thickness of these cellular membranes is limited to that of the cellular membrane bilayer, about 4 nm thick, which enhances transport. Pores in the cellular membranes are robust under operating conditions in the body. Recent efforts to mimic cellular water channels for efficient water deionization produced a significant advance in membrane function. The novel biomimetic design achieved a 10-fold increase in membrane permeability to water flow compared to commercial membranes and still maintained high salt rejection. Despite this success, there is a lack of understanding about why this membrane performs so well. To address this lack of knowledge, we used highperformance computing to interrogate the structural and chemical environments experienced by water and electrolytes in the newly created biomimetic membranes. We also compared the solvation environments between the biomimetic membrane and cellular water channels. These results will help inform future efforts to optimize and tune the performance of synthetic biomimetic membranes for applications in water purification, energy, and catalysis.

Rogers, David Michael↗

Synergetic effect of carbon and AlF 3 coatings on the lithium titanium oxide anode material for high power lithium-ion batteries

A carbon coated commercial lithium titanium oxide (Li 4 Ti 5 O 12 ; LTO) was acoustically mixed with nano-sized AlF 3 and heat treated to form a simultaneous coating layer of carbon and AlF 3 on LTO particles. The surface modified LTO samples were characterized by a variety of means such as X-ray diffraction, Fourier transform infrared spectrometer, high-resolution transmission electron microscope, and inductively coupled plasma mass spectrometry. The results indicate that both carbon and AlF 3 layers exist on the surface of LTO particles and that the distribution of the carbon and AlF 3 differs depending on post heat treatment temperature. The carbon and AlF 3 coating layers formed by optimal post heat treatment at 350 °C significantly improves electrochemical performance, which increases charge capacity by 30% over the pristine LTO after 50 cycles at a high current density of 5C. Thus, LTO with a simultaneous coating layer of carbon and AlF 3 formed by acoustic mixing and post heat treatment shows a potential to further improve commercially-optimized carbon-coated LTO by alleviating its inherently low conductivity. In conclusion, this is an effective way to stabilize the interface between LTO particles and electrolyte, and is a practical approach to promote the wide usage of LTO, one of the most potent anode materials

25 ENERGY STORAGE↗

Microreactor-liquid metal battery system in energy markets: An evaluation of potential costs, technology, and policy impacts

Microreactors represent an emerging innovation in the nuclear industry; yet have been overshadowed by their high capital costs. With the Inflation Reduction Act of 2022 (IRA), new opportunities have emerged to improve the economics of microreactor systems. This work examines liquid metal batteries (LMB) as a value-adding technology as part of microreactor-LMB systems within three U.S. electricity markets: ERCOT, PJM, and MISO. Our investigation considers key uncertainties: the cost of microreactors, the performance of LMBs, and the eligible tax credit levels. To this end, we use a dispatch optimization to trace not only the changes in system economics but also to provide a granular picture of energy delivery within the systems. We find that even with favorable costs for microreactors, significant regional variations in the project sizing and returns exist across the markets. Our heuristic method identifies their non-electric application potentials beyond electricity and technical requirements to maximize returns. The results suggest that 12–39 % of reactor heat could be cost-effectively diverted to produce more valuable by-products in U.S. markets. Including the impacts of tax credits, we establish the outcomes of each provision with varying rates. Coupling an LMB to a microreactor consistently improves the net present value of a microreactor compared to its standalone operation. In conclusion, for reasonable assumed conditions, we quantify a heterogeneous impact of round-trip efficiency (RTE) and extended LMB service life across the three markets—a one-year extension in LMB service life is roughly equivalent to a 2.11 % improvement in RTE for ERCOT, 1.16 % for PJM, and 1.04 % for MISO.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Nanoscale Ion Transport Enhances Conductivity in Solid Polymer-Ceramic Lithium Electrolytes

The predictive design of flexible and solvent-free polymer electrolytes for solid-state batteries requires an understanding of the fundamental principles governing the ion transport. In this work, we establish a correlation among the composite structures, polymer segmental dynamics, and lithium ion (Li + ) transport in a ceramic-polymer composite. Elucidating this structure–property relationship will allow tailoring of the Li + conductivity by optimizing the macroscopic electrochemical stability of the electrolyte. The ion dissociation from the slow polymer segmental dynamics was found to be enhanced by controlling the morphology and functionality of the polymer/ceramic interface. The chemical structure of the Li + salt in the composite electrolyte was correlated with the size of the ionic cluster domains, the conductivity mechanism, and the electrochemical stability of the electrolyte. Polyethylene oxide (PEO) filled with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) or lithium bis(fluorosulfonyl) imide (LiFSI) salts was used as a matrix. A garnet electrolyte, aluminum substituted lithium lanthanum zirconium oxide (Al-LLZO) with a planar geometry, was used for the ceramic nanoparticle moieties. Further, the dynamics of the strongly bound and highly mobile Li + were investigated using dielectric relaxation spectroscopy. The incorporation of the Al-LLZO platelets increased the number density of more mobile Li + . The structure of the nanoscale ion-agglomeration was investigated by small-angle X-ray scattering, while molecular dynamics (MD) simulation studies were conducted to obtain the fundamental mechanism of the decorrelation of the Li + in the LiTFSI and LiFSI salts from the long PEO chain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MCOR User Guide

User guide for the MCOR software package which is currently publicly hosted on Github (https://github.com/pnnl/MCOR). The Microgrid Component Optimization for Resilience (MCOR) tool simulates the operation of a renewable energy, battery, and back-up generator microgrid under a large range of outage conditions to understand how a potential system can meet the resilience goals of a particular site. It is an open-source, command line, Python-based tool that produces an output Excel spreadsheet as well as several types of plots to enable a user to compare different microgrid system sizes and costs. It is intended for high-level system planning and opportunity identification, and not for detailed electric system modeling and design. The tool includes a range of input parameters that can be adjusted or tuned to provide a more custom analysis as needed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Optimal Sizing of a Solar-Plus-Storage System for Utility Bill Savings and Resiliency Benefits

Solar-plus-storage systems can achieve significant utility savings in behind-the-meter deployments in buildings, campuses, or industrial sites. Common applications include demand charge reduction, energy arbitrage, time-shifting of excess photovoltaic (PV) production, and selling ancillary services to the utility grid. These systems can also offer some energy resiliency during grid outages. It is often difficult to quantify the amount of resiliency that these systems can provide, however, and this benefit is often undervalued or omitted during the design process. We propose a method for estimating the resiliency that a solar-plus-storage system can provide at a given location. We then present an optimization model that can optimally size the system components to minimize the lifecycle cost of electricity to the site, including the costs incurred during grid outages. The results show that including the value of resiliency during the feasibility stage can result in larger systems and increased resiliency.

14 SOLAR ENERGY↗