Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Fuel Economy”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 595 records · Page 33

Editorial: Bioconversion and Biorefinery of C1 Compounds

The past decade has seen significant progress in the field of metabolic engineering and synthetic biology. The exponentially growing multi-omics data and technological advances in the development of efficient genetic manipulation tools and techniques have allowed scientists to explore and expand their understanding of microbial metabolisms and further develop sophisticated engineering strategies to realize the use of industrial "workhorses" and non-conventional microorganisms for sustainable bioconversion and biorefinery. There is of great interest for the research community in using C1 compounds (i.e., CO 2 , CO/syngas, methane, methanol) as the next generation feedstocks for microbial cell factories and biocatalysts to promote the sustainable development of a green economy (Figure 1). Considering lowering input costs is also a main consideration for successful business ventures, the use of inexpensive, abundant, and widely accessible C1 compounds is envisioned as a promising route for the sustainable production of fine chemicals, fuels, and other high-value products. Many C1 compounds are waste gases from industrial activities and may have detrimental effects on climate change upon emission into the atmosphere. Therefore, promoting the use of C1 compounds as renewable carbon feedstocks can greatly contribute to the reduction of anthropogenic emission of air pollutants.

09 BIOMASS FUELS↗

Onshore U.S. Carbon Pipeline Deployment: Siting, Safety, and Regulation

Carbon capture, utilization, and storage (CCUS) technology has significant potential to reduce greenhouse gas (GHG) emissions and mitigate the impact of climate change, particularly in hard to decarbonize industrial and commercial sectors. CCUS involves capturing carbon dioxide (CO 2 ) from industrial processes or power generation and utilizing it for other purposes, such as enhanced oil recovery (EOR), or storing the captured CO 2 underground. CCUS technology can reduce the environmental impact of continued fossil fuel use while smoothing the transition to a low-carbon economy. CCUS can create new economic opportunities, such as the development of new industries and job creation, and can enhance energy security by diversifying energy sources. For these reasons, enabling CCUS has become a key objective of the Biden-Harris administration’s clean energy policy and has received bipartisan support. Despite its environmental and economic potential, CCUS faces multiple barriers to widespread deployment. One of the main challenges is the high cost and technical difficulty of implementing and operating large-scale CCUS infrastructure. CCUS remains a relatively expensive way to reduce carbon emissions (e.g., compared to solar photovoltaic technology’s displacement of coal generation). Additionally, financial incentives and supportive policies like those enacted to support solar photovoltaic development, especially at the state level, are inconsistent or nonexistent, which can discourage investment in CCUS projects. There are also technical challenges associated with safe and secure underground CO 2 storage and the development of new carbon utilization technologies. Public opposition to various aspects of CCUS technologies, ranging from concerns that CCUS will extend reliance on fossil fuels to CCUS infrastructure being sited in disadvantaged communities, is a growing challenge. This paper focuses on another significant barrier to broad CCUS deployment: the need for considerable expansion of the dedicated land-based CO 2 pipeline network in the United States to meet CCUS goals and the unique regulatory challenges to its development. To reach carbon emissions targets in the United States by 2050, CCUS technology will need to be supported by tens of thousands of miles of CO 2 pipelines. Estimates range from a minimum of roughly 29,000 pipeline miles (according to a 2020 Great Plains Institute study) to 66,000 pipeline miles (as per a 2021 Princeton University–led study). As of October 2022, however, the U.S. Department of Transportation (U.S. DOT) reports fewer than 5,400 miles of U.S. pipelines carrying CO 2 . This deficit—and what it means for the prospect of moving substantially larger quantities of CO 2 from source to use or storage—threatens to stifle the development of CCUS projects and technologies identified as an important tool to meet emissions targets. The current regulatory landscape facing CO 2 pipeline development can best be described as uncertain. At the federal level, the U.S. DOT Pipeline and Hazardous Materials Safety Administration (PHMSA) oversees safety regulation of pipelines transporting hazardous materials, including CO 2 upon commencement of operation. However, PHMSA’s definition of CO 2 as “a fluid consisting of more than 90 percent CO 2 molecules compressed to a supercritical state” has not been updated since its 1991 addition to the Federal Register. Because CO 2 can be transported in a gaseous, liquid, or supercritical state (indeed, the physical state of CO 2 can fluctuate within a single pipeline due to environmental changes), doubts persist about the extent of PHMSA’s purview—and raise questions about what, if anything, states should do to address this apparent gap. PHMSA has begun a major revision of its existing rules, but the agency does not expect a first draft before 2024. Economic oversight of CO 2 pipelines is even less clear. The Federal Energy Regulatory Commission (FERC) and Surface Transportation Board (STB)—which regulate the rates of interstate oil/natural gas and non-energy pipelines, respectively—have both declined jurisdiction over interstate CO 2 pipelines. This presumably leaves economic regulation to state and/or local governments, but few if any states have the laws or resources in place to oversee just and reasonable rates. Further, the interstate nature of CO 2 pipeline development creates questions around how different states should align their rate-making decisions. Onshore U.S. Carbon Pipeline Deployment: Siting, Safety, and Regulation Currently, regulatory responsibilities regarding CO 2 pipeline siting and permitting fall to state and local governments. The variety of laws and regulations across the country, however, creates a maze of requirements for pipeline developers to navigate. To secure necessary permits, most states require pipeline companies to be “common carriers” that provide transport service to the public at uniform rates. However, the specific definition of that term varies. Some states require clear evidence that a pipeline services the public, while others automatically deem any pipeline company transporting energy products or hazardous materials to be a “common carrier”—with little consideration for accessibility to third parties. Other states have eschewed common-carrier terminology entirely, placing private and publicly accessible pipelines on equal footing. Much like the variation in common-carrier requirements, laws governing eminent domain authority to secure rights-of-way (ROW) to commence construction on a planned pipeline route differ by state. Several states have no laws or rules governing CO 2 pipelines. In addition to creating questions about whether long-standing rules for other pipelines (e.g., natural gas or petroleum products) apply to CO 2 , this policy vacuum leaves local governments as the sole authority over sections of pipe within their boundaries. With dozens of counties along a given route, the probability of inconsistent regulation of the same pipeline is significant. Even in states with CO 2 pipeline laws in place, local regulatory attempts to address rising concerns over pipeline routing and safety have triggered lawsuits by pipeline companies seeking to delimit areas of federal, state, and local government responsibility. Meanwhile, legislators across the country have introduced bills to restrict the application of eminent domain to CO 2 pipeline projects, which could threaten a key means of securing ROW that companies cannot secure through negotiation with landowners. Taken separately, any of these regulatory issues—the narrow federal definition of CO 2 , FERC’s and STB’s decisions that CO 2 pipelines are not within their jurisdiction, and the considerable variation in state and local governments’ laws regulating CO 2 pipeline technologies—are extremely difficult to resolve. Adding the required scale of CO 2 pipeline expansion and the currently identified narrow window of time in which to reach climate target goals, the task becomes even more difficult—and raises a host of urgent questions for regulators. How should CO 2 be defined in federal regulations to ensure consistent safety standards across the country? What is the potential impact radius of a CO 2 pipeline rupture, and how should that inform local emergency response? In the absence of centralized federal oversight, what should state legislatures do to increase alignment for interstate CO 2 pipeline projects? This paper intends to serve as a primer for regulators and stakeholders who seek to better understand the regulatory challenges and opportunities facing this critical infrastructure.

42 ENGINEERING↗

Fleet Compliance Annual Report (MY 2018, FY2019)

The U.S. Department of Energy (DOE) regulates covered state government and alternative fuel provider fleets, pursuant to the Energy Policy Act of 1992 (EPAct), as amended. For model year (MY) 2018, the compliance rate with this program for the more than 311 reporting fleets was 100%. Fleets used either Standard Compliance or Alternative Compliance reporting methods.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Grid Value Analysis of Geothermal Systems for End-Use Applications

Fuel based end-uses for residential, commercial, and industrial consumers require a technology change to achieve economy-wide decarbonization. Space heating accounts for 42% of residential and 32% of commercial energy demand, much of which is currently met through carbon emitting fuels. Industrial energy use is heavily fuel based with electricity currently representing 13% of energy demand. Geothermal heat pumps (GHPs) and geothermal direct use can eliminate the need for CO2 emitting and simultaneously allow for more efficient electrification of end uses. Past work has assessed the impact on total energy costs and generation investments but did not identify specific grid services benefited. Energy usage in residential and commercial structures was assessed by leveraging data from ComStock and ResStock models. These models utilize housing attributes, occupancy patterns, weather data, and sophisticated energy simulations to generate hourly load profiles for individual buildings identified by unique IDs associated with their locations. Industrial sector energy use was evaluated using information from the Manufacturing Energy Consumption Survey (MECS) as well as plant utilization data from the US Census to estimate hourly plant operations. The change in end-use demand for electricity, natural gas, and other fuels was calculated for different technologies that could meet this need. Using the ReEDS capacity expansion model, we produce regional price profiles that capture the grid benefit associated with the amount and timing of energy shifts in the power system from the adoption of geothermal systems relative to other technologies that could meet space heating, space cooling, and process heat requirements. We find that geothermal systems for meeting end-use demand add value to the energy system. In buildings where geothermal systems increase grid costs, these values are offset by reduced fuel costs and benefits to externalities, including emissions and health impacts.

decarbonization↗

Hydrogen Based Energy Storage System for Integration with Dispatchable Power Generator (Phase I Feasibility Study)

This project examined the feasibility of integrating hydrogen generation, storage, and use as a means to decarbonize campus activities while retaining the ability to utilize the existing natural gas fired combined heat and power system installed at the campus of the University of California @ Irvine. Analysis of specific potential sites for the integrated system identified a location adjacent to the existing central plant which resulted in minimization of interconnections. A strategy based on use of commercial electrolyzers and gas storage was identified. Primary technology advancements are required for the gas turbine to accommodate higher levels of hydrogen and the integrated controls. The project indicated challenges for adopting the proposed strategy with the present rates and constraints. The availability of a relatively low-cost biogas resource by the campus already decarbonizes the gas turbine to some extent. In the absence of this resource, procurement of electricity directly from large scale renewable operations could facilitate lower electricity costs. Additional solar resources on campus could also help in this regard. The gas turbine cannot be operated below 50% capacity due to air permit constraints. Using the otherwise curtailed gas turbine operation to generate hydrogen via electrolysis by consuming natural gas is not highly efficient and therefore leads to relatively high costs of electricity returned. Several scenarios demonstrate potential for effective decarbonization, yet most involve lower and lower capacity factor for the legacy gas turbine which is not a good use of the asset. A small gas turbine output with higher efficiency operation would help. As would ability to export electricity to the grid. Certainly current rate structures and operational scenarios are less attractive than other possible future structures which should be pushed for in the future.

03 NATURAL GAS↗

Midwest ZEVI 2030 Charging Roadmap for I-80 Corridor

Zero-emission Medium Duty and Heavy Duty vehicles (MD-HD ZEVs) hold great promise for reducing operational costs through use of more energy eAicient propulsion technology while reducing reliance on fossil fuels. Consistent with the Department of Energy’s focus on energy innovation, ZEVs and the necessary charging and refueling infrastructure to support them represent an important area of focus for technological advancement. Widespread adoption of MD-HD ZEVs can also provide benefits by improving air quality, and lowering carbon emissions in the transportation industry. Powertrain technologies are in production today to reduce tank-to-wheel and well-to-wheel emissions of commercial vehicles to zero or near-zero emissions, but significant development remains to bring down the cost and address the operational limitations of these technologies, particularly for larger vehicles. ZEV technologies have an opportunity to be an important part of a fleet’s mix of powertrains as capital and operational costs come down. However, the greatest challenge preventing widespread adoption of ZEVs may be the lack of adequate charging and hydrogen (H₂) fueling infrastructure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Converting Poly(ethylene terephthalate) to Rigid Thermosets: Performance and Recycling Considerations

Poly(ethylene terephthalate) (PET) is one of today's most ubiquitous plastics finding predominant uses in textiles and food applications. Due to its prolific implementation, PET already possesses a robust mechanical recycling infrastructure; however, current requirements for mechanical recycling still leads to an underutilization of PET. Thus, to keep carbon in the economy and further encourage decarbonization efforts it is paramount to find other applications for PET. In the present work, PET is converted to thermoset applications, specifically those relevant to fiber reinforced plastics. In one case, bioderived monomers are utilized to convert glycolyzed PET into unsaturated polyesters resins which can possess better thermomechanical performance than their petrochemical counterpart while also emitting less GHG emissions in their manufacture. In the second case, the constituent monomers from PET are converted into epoxies and reacted with either amines or anhydrides to form thermoset networks. When anhydrides are implemented alongside carboxylate-based epoxies, 100% monomer recyclability is obtainable. Meanwhile, when amines are used, performance of the materials can be enhanced at the sacrifice of some recyclability. Overall, this work demonstrates the potential to further incentivize the reclamation of materials through multiple second life applications in pursuance of maintaining carbon in today's material economy.

BIOMASS FUELS,ENVIRONMENTAL SCIENCES↗

Clean Cities: A Model of Collaborative Technology Innovation Built Over 30 Years

The Clean Cities Coalition Network is an example of successful government-sponsored efforts to reduce petroleum use and facilitate collaborative governance across sectors and levels of government within the transportation sector. In 1993, under what is now the Vehicle Technologies Office (VTO), the U.S. Department of Energy (DOE) established Clean Cities in response to a requirement in the Energy Policy Act (EPAct) of 1992 to implement voluntary alternative fuel deployment activities. VTO's Technology Integration Program is responsible for the Clean Cities Coalition Network and many other activities. DOE created a collaborative governance effort that has translated higher-level policy goals into multiple local collaborative practices for more than 30 years.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Analysis of Truck Platooning on Rural Highways

An analysis by the National Laboratory of the Rockies on truck platooning technology used on Ohio highways found that truck platooning operated for 40% of driving distances, showcasing its potential to enhance freight efficiency and safety. While energy savings were evident, further optimization of gap distances and operational consistency is needed to fully evaluate fuel savings benefits across diverse driving conditions. While more study is needed, advanced connected and automated vehicle technologies such as platooning demonstrate significant promise for transforming commercial vehicle efficiency and operations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

I-80 Mid-America Clean Fuels Corridor: Deployment Plan Report

The I-80 Mid-America Clean Fuels Corridor, which spans I-80 from Fort Lee, New Jersey, to Council Bluffs, Iowa, was designated an Alternative Fuels Corridor (AFC) in Round 1 of the Alternative Fuels Corridor program administered by the U.S. Department of Transportation’s (DOT’s) Federal Highway Administration (FHWA). Originally called the “I-80 Mid-America Alternative Fuels Corridor,” it is now named the “I-80 Mid-America Clean Fuels Corridor.” As of Round 6 AFC designation, parts of the corridor have sufficient direct current fast charging (DCFC) stations to be designated Electric Vehicle (EV)-Ready and sufficient compressed natural gas (CNG) fueling stations to be designated CNG-Ready. However, much of the corridor’s approximately 1,240 miles (mi) are not yet EV- or CNG-Ready. This includes about 1,130 mi that are designated EV-Pending and 700 mi that are designated CNG-Pending. This report presents a plan to develop EV charging and CNG fueling infrastructure sufficient to convert the entire length of the corridor to EV-Ready and CNG-Ready. Specific sites are not identified for future infrastructure. Rather, priority exits are identified, and information, analysis, and additional steps are recommended to support further refinement of these locations, as well as additional outreach and deployment efforts.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Building a Sustainable Aviation Brain Trust: Key Insights From the 2022 NREL Partner Forum

Cross-sector collaboration is key for guiding the large, complex aviation industry over the emissions peak and quickly down the slope to net-zero - that theme was repeated regularly during the two-day 2022 NREL Partner Forum. With an expanding global economy, more people than ever want the convenience of air travel. That has made aviation the fastest-growing transportation sector, as well as a rising source of carbon emissions. How can the industry serve its customers while charting a course to net-zero in line with climate goals? Interest and momentum from public and private sectors are mounting to answer that question, a backdrop for the Partner Forum. The National Renewable Energy Laboratory (NREL) brought 200 attendees to the whiteboard to find common goals, align interests, understand technologies, and discuss steps for safely and seamlessly decarbonizing aviation. This document captures the tenor of the conversations and provides a summary of the 1.5 day event for those who were not able to attend or who have interest in this area.

aircraft↗

Enabling the Electrification of Offshore Activities – Co-Demonstration of Next-Generation Autonomous Offshore Power System and Resident, Uncrewed Mobile and Static Assets at PacWave Wave Energy Test Site

Oceans cover two-thirds of the earth's surface and form the world's biggest and best – yet largely untapped – battery. Ocean waves have more energy density than other renewables, including wind, solar, and biomass, and have the potential to supply 4x the world's annual energy consumption (Masterson, 2022; Zic, 2020). In addition to the impact wave energy can have on decarbonizing and diversifying the electric grid, it offers a significant value proposition in the emerging blue economy sector (LiVecchi et al, 2019). The blue economy consists of industries operating offshore, including shipping, oil and gas, defense and security, aquaculture, and research. These industries require bringing people and energy on site to perform daily work, but current energy costs in the blue economy are extremely high. Here, the prevailing processes are complex, including shore dependencies and fuel transportation logistics. Few alternatives for reliable power generation exist, with the most prominent being high cost and high carbon emissions diesel generation. Because of this lack of affordable, reliable power, the trends of electrification, digitization, and automation that have led to substantial innovation and improvements in the terrestrial economy over the last two decades are slow to come to the blue economy.

16 TIDAL AND WAVE POWER↗

Challenges and Considerations for Rural Transportation: Stakeholder Perspectives

This fact sheet presents key findings and challenges identified by stakeholders through an initiative supported by the U.S. Department of Energy's Communities Local Energy Action Program (Communities LEAP). The project engaged community stakeholders, fleet operators, and local officials across ten rural counties in western Alabama to explore opportunities for expanding access to alternative transportation fuels. Guided by a regional coalition and supported by the National Laboratory of the Rockies (NLR), the effort emphasized challenges and related potential technical solutions. The fact sheet highlights transportation priorities identified by participants, outlines barriers unique to rural contexts, and summarizes resources developed by NLR subject matter experts to help local entities address these challenges.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Roles of kaolinite-oil-gas molecular interactions in hydrogen storage within depleted reservoirs

Hydrogen is a clean alternative to fossil fuels, emitting only water vapor during combustion. In a future hydrogen economy, large-scale storage will be an important component of the supply chain. Due to its low volumetric density, conventional surface storage methods are inadequate. Underground hydrogen storage (UHS) offers a viable solution, enabling the storage of millions of cubic meters. Among potential geological sites, including salt caverns, aquifers, and depleted gas reservoirs, depleted oil reservoirs show promise. Studying hydrogen interactions with residual oil and reservoir minerals is vital for understanding the properties of hydrogen and the reservoir post-injection. In this work, we employed molecular dynamics simulations to gain molecular-level insights into these interactions. We investigated hydrogen dissolution in oil, adsorption at kaolinite/oil interfaces, the role of CO 2 as a cushion gas, and the influence of kaolinite’s hydrophobicity on H 2 behavior. The main findings include: (1) hydrogen dissolves more in oil than in water, (2) the introduction of CO 2 suppresses hydrogen dissolution in oil and reduces the interfacial tension (IFT) between oil and gas, (3) CO 2 decreases H 2 partitioning near kaolinite surfaces due to its strong affinity for the hydrophilic gibbsite surface of kaolinite, and (4) CO 2 is more effective than H 2 in reducing IFT between kaolinite and the oil–gas mixture. These findings emphasize the effectiveness of CO 2 as a cushion gas and the important role of clay hydrophobicity in UHS, providing insights that are challenging to obtain experimentally.

08 HYDROGEN↗

Numerical Investigation of Susceptor-Catalyst Design for Ethylene Generation in Radio Frequency Based Reactors

Ethylene is the most widely produced petrochemical component in the world. Whether reactors are heated directly or indirectly via steam, manufacturers use economies of scale to overcome inherent thermodynamic inefficiencies when burning fossil fuels. While allowing large-scale operations to use alternative sources of energy and raw materials, new methods of supplying energy to chemical reactor systems can reduce the energy waste produced by conventional processes. One viable method for effectively supplying energy to reactor systems is electromagnetic (EM) induction heating. Using the properties of radio frequency (RF) waves, heterogeneous catalysts can be precisely targeted for heating inside reactors. Site-selective heating can greatly lower the energy requirements of the process by supplying heat to reaction sites while reducing needless heat transfer elsewhere. In this study, a microscale model was used to help create guidelines for susceptors and catalysts to improve ethylene production. The oxidative dehydrogenation of ethane is investigated by utilizing several catalysts and potential catalyst/susceptor combinations, with heat provided by an EM susceptor. Having the susceptors and catalyst function separately results in higher gradients in both heat and mass transfer, which drives transport through the catalyst region, while still providing adequate heating for endothermic reactions. However, using a susceptive core with a catalyst covering produces the maximum ethylene concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Long-term, sustainable solutions to radioactive waste management

Nuclear power plays a pivotal role in ensuring a scalable, affordable, and reliable low-carbon electricity supply. Along with other low-carbon energy technologies, nuclear energy is essential for reducing our reliance on fossil fuels, addressing climate change and air pollution, and achieving a sustainable economy. Whilst significant progress has been made in reducing the volume of final radioactive waste, its management remains one of the most important challenges when considering the continued use and expansion of nuclear energy. This recently published collection highlights the latest technological and scientific advances aimed to improve the safe, long-term, and sustainable management of wastes produced from nuclear power generation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Synthetic fuels for ground transportation with special emphasis on hydrogen

The role of various synthetic fuels, for ground transportation in the United States, was examined for the near term (by 1985) and the longer term applications (1985-2000 and beyond 2000). Feasible options include synthetic oil, methanol, electric propulsion, and hydrogen. It is concluded that (1) the competition during the next 50 years will be for the fuels of all types, rather than among the fuels; (2) extensive domestic oil and gas exploration should be initiated concurrent with the development of several alternate fuels and related ancillaries; and (3) hydrogen, as an automotive fuel, seems to be equivalent to gasoline for optimum fuel to air mixtures. As a pollution free, high energy density fuel, hydrogen deserves consideration as the logical replacement for the hydrocarbons. Several research and development requirements, essential for the implementation of hydrogen economy for ground transportation, were identified. Extensive engineering development and testing activities should be initiated to establish hydrogen as the future automotive fuel, followed by demonstration projects and concerted efforts at public education.

Singh, J. J.↗

Atomic Layer Deposition for Materials-Based H2 Storage: Opportunities and Limitations

The transportation demands in our growing hydrogen (H2) economy requires robust storage systems. The current commercially implemented technology in fuel cell cars relies on the well-established technology of hydrogen gas compressed to 350-700 bar, depending on the application. The compressed gas tanks in use today are bulky and cost intensive. To address this challenge, material-based storage is one of the long-term alternatives considered and constitutes the focus of this talk. Material-based storage is broadly defined as hydrogen bound to solid materials, with its binding strength varying from physisorption to porous materials, such as zeolites and metal organic frameworks, to chemisorption in (complex) metal hydrides. The ultimate targets set by the U.S. Department of Energy for this technology include a system gravimetric capacity of 6.5 wt% and volumetric capacity of 40 g/L at 100 bar, operating temperatures ranging between -40 C and +40 C and adsorption/desorption timescales of < 5 min. Storage in the form of physisorbed or chemisorbed hydrogen has guided the materials research, which metal- organic framework and (complex) metal hydrides being the most promising materials classes. A variety of these materials have met one or more of the targets, but it has remained elusive for a single material system to meet all these stringent requirements. Nano-encapsulation and low-concentration chemical additives have previously been employed separately to overcome such challenges. Functionalization via atomic layer deposition (ALD), however, offers unique characteristics that make it suitable for both, nano-encapsulation and "doping" with low-concentration additives. This deposition technique has sub-monolayer thickness control, is highly conformal in high-surface area materials and is self-limiting, i.e., once the gas-phase precursor reacts with the available surface sites, the surface reactions stop. In this presentation, we will showcase examples where ALD, more generally vapor-phase functionalization, on (complex) metal hydrides and organic frameworks has improved the material properties for H2 storage. In our first study, Al2O3 was deposited on magnesium borohydride, Mg(BH4)2, at room temperature using trimethylaluminum (TMA) and water. From our findings, encouraging initial results were obtained: the H2 desorption temperature was lowered by 60-120 degrees C, the desorbed gravimetric H2 capacity at temperatures < 250 degrees C was doubled, and the desorption kinetics increased by a factor of ~6 compared to uncoated Mg(BH4)2. However, hydrolysis reactions caused by residual surface -OH groups from the ALD water-pulse degraded the sample substantially. Through this study, the use of TMA was observed to be highly reactive with the Mg(BH4)2 surface species, leading to the strategy of exposing the sample only to TMA. The relative mole fraction of the vapor-phase additive can be precisely controlled with the number of TMA pulses and pulse duration. By tuning these parameters, we show in our second study that 10 pulses of TMA at ambient conditions were able to decrease the H2 desorption temperature by ~100 degrees C while retaining <95 % of its H2 capacity. We applied this approach with other additives such as BBr3, TiCl4 and tetrahydrofuran, and demonstrate that this unique approach opens the door to a new class of molecular additives and catalysts which cannot easily be introduced with conventional mechano-chemical or solvent-based techniques for (complex) metal-hydrides. In the case of metal organic frameworks, ALD is a promising technique to functionalize the pores with metal atoms or functional groups able to tune the gas selectivity and binding energy, for which ~15 kJ/mol has been established as the optimal value for H2 storage in sorbent materials. Vapor-phase techniques such as ALD have numerous benefits over other functionalization tools for H2 storage materials opening innumerable opportunities to the field. To exploit these opportunities, the current limitations on room temperature and water-less ALD processes needs to be overcome which will greatly expand the possibilities of encapsulation and incorporation of additives for organic frameworks and (complex) metal hydrides.

atomic layer deposition↗