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      New process could enable more efficient plastics recycling

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      The accumulation of plastic waste in the oceans, soil, and even in our bodies is one of the major pollution issues of modern times, with over 5 billion tons disposed of so far. Despite major efforts to recycle plastic products, actually making use of that motley mix of materials has remained a challenging issue.

      A key problem is that plastics come in so many different varieties, and chemical processes for breaking them down into a form that can be reused in some way tend to be very specific to each type of plastic. Sorting the hodgepodge of waste material, from soda bottles to detergent jugs to plastic toys, is impractical at large scale. Today, much of the plastic material gathered through recycling programs ends up in landfills anyway. Surely there’s a better way.

      According to new research from MIT and elsewhere, it appears there may indeed be a much better way. A chemical process using a catalyst based on cobalt has been found to be very effective at breaking down a variety of plastics, such as polyethylene (PET) and polypropylene (PP), the two most widely produced forms of plastic, into a single product, propane. Propane can then be used as a fuel for stoves, heaters, and vehicles, or as a feedstock for the production of a wide variety of products — including new plastics, thus potentially providing at least a partial closed-loop recycling system.

      The finding is described today in the open access journal  JACS Au, in a paper by MIT professor of chemical engineering Yuriy Román-Leshkov, postdoc Guido Zichitella, and seven others at MIT, the SLAC National Accelerator Laboratory, and the National Renewable Energy Laboratory.

      Recycling plastics has been a thorny problem, Román-Leshkov explains, because the long-chain molecules in plastics are held together by carbon bonds, which are “very stable and difficult to break apart.” Existing techniques for breaking these bonds tend to produce a random mix of different molecules, which would then require complex refining methods to separate out into usable specific compounds. “The problem is,” he says, “there’s no way to control where in the carbon chain you break the molecule.”

      But to the surprise of the researchers, a catalyst made of a microporous material called a zeolite that contains cobalt nanoparticles can selectively break down various plastic polymer molecules and turn more than 80 percent of them into propane.

      Although zeolites are riddled with tiny pores less than a nanometer wide (corresponding to the width of the polymer chains), a logical assumption had been that there would be little interaction at all between the zeolite and the polymers. Surprisingly, however, the opposite turned out to be the case: Not only do the polymer chains enter the pores, but the synergistic work between cobalt and the acid sites in the zeolite can break the chain at the same point. That cleavage site turned out to correspond to chopping off exactly one propane molecule without generating unwanted methane, leaving the rest of the longer hydrocarbons ready to undergo the process, again and again.

      “Once you have this one compound, propane, you lessen the burden on downstream separations,” Román-Leshkov says. “That’s the essence of why we think this is quite important. We’re not only breaking the bonds, but we’re generating mainly a single product” that can be used for many different products and processes.

      The materials needed for the process, zeolites and cobalt, “are both quite cheap” and widely available, he says, although today most cobalt comes from troubled areas in the Democratic Republic of Congo. Some new production is being developed in Canada, Cuba, and other places. The other material needed for the process is hydrogen, which today is mostly produced from fossil fuels but can easily be made other ways, including electrolysis of water using carbon-free electricity such as solar or wind power.

      The researchers tested their system on a real example of mixed recycled plastic, producing promising results. But more testing will be needed on a greater variety of mixed waste streams to determine how much fouling takes place from various contaminants in the material — such as inks, glues, and labels attached to the plastic containers, or other nonplastic materials that get mixed in with the waste — and how that affects the long-term stability of the process.

      Together with collaborators at NREL, the MIT team is also continuing to study the economics of the system, and analyzing how it can fit into today’s systems for handling plastic and mixed waste streams. “We don’t have all the answers yet,” Román-Leshkov says, but preliminary analysis looks promising.

      The research team included Amani Ebrahim and Simone Bare at the SLAC National Accelerator Laboratory; Jie Zhu, Anna Brenner, Griffin Drake and Julie Rorrer at MIT; and Greg Beckham at the National Renewable Energy Laboratory. The work was supported by the U.S. Department of Energy (DoE), the Swiss National Science Foundation, and the DoE’s Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office (AMO), and Bioenergy Technologies Office (BETO), as part of the the Bio-Optimized Technologies to keep Thermoplastics out of Landfills and the Environment (BOTTLE) Consortium. More

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      3 Questions: Janelle Knox-Hayes on producing renewable energy that communities want

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      Wind power accounted for 8 percent of U.S. electricity consumption in 2020, and is growing rapidly in the country’s energy portfolio. But some projects, like the now-defunct Cape Wind proposal for offshore power in Massachusetts, have run aground due to local opposition. Are there ways to avoid this in the future?

      MIT professors Janelle Knox-Hayes and Donald Sadoway think so. In a perspective piece published today in the journal Joule, they and eight other professors call for a new approach to wind-power deployment, one that engages communities in a process of “co-design” and adapts solutions to local needs. That process, they say, could spur additional creativity in renewable energy engineering, while making communities more amenable to existing technologies. In addition to Knox-Hayes and Sadoway, the paper’s co-authors are Michael J. Aziz of Harvard University; Dennice F. Gayme of Johns Hopkins University; Kathryn Johnson of the Colorado School of Mines; Perry Li of the University of Minnesota; Eric Loth of the University of Virginia; Lucy Y. Pao of the University of Colorado; Jessica Smith of the Colorado School of Mines; and Sonya Smith of Howard University.

      Knox-Hayes is the Lister Brothers Associate Professor of Economic Geography and Planning in MIT’s Department of Urban Studies and Planning, and an expert on the social and political context of renewable energy adoption; Sadoway is the John F. Elliott Professor of Materials Chemistry in MIT’s Department of Materials Science and Engineering, and a leading global expert on developing new forms of energy storage. MIT News spoke with Knox-Hayes about the topic.

      Q: What is the core problem you are addressing in this article?

      A: It is problematic to act as if technology can only be engineered in a silo and then delivered to society. To solve problems like climate change, we need to see technology as a socio-technical system, which is integrated from its inception into society. From a design standpoint, that begins with conversations, values assessments, and understanding what communities need.  If we can do that, we will have a much easier time delivering the technology in the end.

      What we have seen in the Northeast, in trying to meet our climate objectives and energy efficiency targets, is that we need a lot of offshore wind, and a lot of projects have stalled because a community was saying “no.” And part of the reason communities refuse projects is because they that they’ve never been properly consulted. What form does the technology take, and how would it operate within a community? That conversation can push the boundaries of engineering.

      Q: The new paper makes the case for a new practice of “co-design” in the field of renewable energy. You call this the “STEP” process, standing for all the socio-technical-political-economic issues that an engineering project might encounter. How would you describe the STEP idea? And to what extent would industry be open to new attempts to design an established technology?

      A: The idea is to bring together all these elements in an interdisciplinary process, and engage stakeholders. The process could start with a series of community forums where we bring everyone together, and do a needs assessment, which is a common practice in planning. We might see that offshore wind energy needs to be considered in tandem with the local fishing industry, or servicing the installations, or providing local workforce training. The STEP process allows us to take a step back, and start with planners, policymakers, and community members on the ground.

      It is also about changing the nature of research and practice and teaching, so that students are not just in classrooms, they are also learning to work with communities. I think formalizing that piece is important. We are starting now to really feel the impacts of climate change, so we have to confront the reality of breaking through political boundaries, even in the United States. That is the only way to make this successful, and that comes back to how can technology be co-designed.

      At MIT, innovation is the spirit of the endeavor, and that is why MIT has so many industry partners engaged in initiatives like MITEI [the MIT Energy Initiative] and the Climate Consortium. The value of the partnership is that MIT pushes the boundaries of what is possible. It is the idea that we can advance and we can do something incredible, we can innovate the future. What we are suggesting with this work is that innovation isn’t something that happens exclusively in a laboratory, but something that is very much built in partnership with communities and other stakeholders.

      Q: How much does this approach also apply to solar power, as the other leading type of renewable energy? It seems like communities also wrestle with where to locate solar arrays, or how to compensate homeowners, communities, and other solar hosts for the power they generate.

      A: I would not say solar has the same set of challenges, but rather that renewable technologies face similar challenges. With solar, there are also questions of access and siting. Another big challenge is to create financing models that provide value and opportunity at different scales. For example, is solar viable for tenants in multi-family units who want to engage with clean energy? This is a similar question for micro-wind opportunities for buildings. With offshore wind, a restriction is that if it is within sightlines, it might be problematic. But there are exciting technologies that have enabled deep wind, or the establishment of floating turbines up to 50 kilometers offshore. Storage solutions such as hydro-pneumatic energy storage, gravity energy storage or buoyancy storage can help maintain the transmission rate while reducing the number of transmission lines needed.

      In a lot of communities, the reality of renewables is that if you can generate your own energy, you can establish a level of security and resilience that feeds other benefits. 

      Nevertheless, as demonstrated in the Cape Wind case, technology [may be rejected] unless a community is involved from the beginning. Community involvement also creates other opportunities. Suppose, for example, that high school students are working as interns on renewable energy projects with engineers at great universities from the region. This provides a point of access for families and allows them to take pride in the systems they create.  It gives a further sense of purpose to the technology system, and vests the community in the system’s success. It is the difference between, “It was delivered to me,” and “I built it.” For researchers the article is a reminder that engineering and design are more successful if they are inclusive. Engineering and design processes are also meant to be accessible and fun. More

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      Passive cooling system could benefit off-grid locations

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      As the world gets warmer, the use of power-hungry air conditioning systems is projected to increase significantly, putting a strain on existing power grids and bypassing many locations with little or no reliable electric power. Now, an innovative system developed at MIT offers a way to use passive cooling to preserve food crops and supplement conventional air conditioners in buildings, with no need for power and only a small need for water.

      The system, which combines radiative cooling, evaporative cooling, and thermal insulation in a slim package that could resemble existing solar panels, can provide up to about 19 degrees Fahrenheit (9.3 degrees Celsius) of cooling from the ambient temperature, enough to permit safe food storage for about 40 percent longer under very humid conditions. It could triple the safe storage time under dryer conditions.

      The findings are reported today in the journal Cell Reports Physical Science, in a paper by MIT postdoc Zhengmao Lu, Arny Leroy PhD ’21, professors Jeffrey Grossman and Evelyn Wang, and two others. While more research is needed in order to bring down the cost of one key component of the system, the researchers say that eventually such a system could play a significant role in meeting the cooling needs of many parts of the world where a lack of electricity or water limits the use of conventional cooling systems.

      The system cleverly combines previous standalone cooling designs that each provide limited amounts of cooling power, in order to produce significantly more cooling overall — enough to help reduce food losses from spoilage in parts of the world that are already suffering from limited food supplies. In recognition of that potential, the research team has been partly supported by MIT’s Abdul Latif Jameel Water and Food Systems Lab.

      “This technology combines some of the good features of previous technologies such as evaporative cooling and radiative cooling,” Lu says. By using this combination, he says, “we show that you can achieve significant food life extension, even in areas where you have high humidity,” which limits the capabilities of conventional evaporative or radiative cooling systems.

      In places that do have existing air conditioning systems in buildings, the new system could be used to significantly reduce the load on these systems by sending cool water to the hottest part of the system, the condenser. “By lowering the condenser temperature, you can effectively increase the air conditioner efficiency, so that way you can potentially save energy,” Lu says.

      Other groups have also been pursuing passive cooling technologies, he says, but “by combining those features in a synergistic way, we are now able to achieve high cooling performance, even in high-humidity areas where previous technology generally cannot perform well.”

      The system consists of three layers of material, which together provide cooling as water and heat pass through the device. In practice, the device could resemble a conventional solar panel, but instead of putting out electricity, it would directly provide cooling, for example by acting as the roof of a food storage container. Or, it could be used to send chilled water through pipes to cool parts of an existing air conditioning system and improve its efficiency. The only maintenance required is adding water for the evaporation, but the consumption is so low that this need only be done about once every four days in the hottest, driest areas, and only once a month in wetter areas.

      The top layer is an aerogel, a material consisting mostly of air enclosed in the cavities of a sponge-like structure made of polyethylene. The material is highly insulating but freely allows both water vapor and infrared radiation to pass through. The evaporation of water (rising up from the layer below) provides some of the cooling power, while the infrared radiation, taking advantage of the extreme transparency of Earth’s atmosphere at those wavelengths, radiates some of the heat straight up through the air and into space — unlike air conditioners, which spew hot air into the immediate surrounding environment.

      Below the aerogel is a layer of hydrogel — another sponge-like material, but one whose pore spaces filled with water rather than air. It’s similar to material currently used commercially for products such as cooling pads or wound dressings. This provides the water source for evaporative cooling, as water vapor forms at its surface and the vapor passes up right through the aerogel layer and out to the environment.

      Below that, a mirror-like layer reflects any incoming sunlight that has reached it, sending it back up through the device rather than letting it heat up the materials and thus reducing their thermal load. And the top layer of aerogel, being a good insulator, is also highly solar-reflecting, limiting the amount of solar heating of the device, even under strong direct sunlight.

      “The novelty here is really just bringing together the radiative cooling feature, the evaporative cooling feature, and also the thermal insulation feature all together in one architecture,” Lu explains. The system was tested, using a small version, just 4 inches across, on the rooftop of a building at MIT, proving its effectiveness even during suboptimal weather conditions, Lu says, and achieving 9.3 C of cooling (18.7 F).

      “The challenge previously was that evaporative materials often do not deal with solar absorption well,” Lu says. “With these other materials, usually when they’re under the sun, they get heated, so they are unable to get to high cooling power at the ambient temperature.”

      The aerogel material’s properties are a key to the system’s overall efficiency, but that material at present is expensive to produce, as it requires special equipment for critical point drying (CPD) to remove solvents slowly from the delicate porous structure without damaging it. The key characteristic that needs to be controlled to provide the desired characteristics is the size of the pores in the aerogel, which is made by mixing the polyethylene material with solvents, allowing it to set like a bowl of Jell-O, and then getting the solvents out of it. The research team is currently exploring ways of either making this drying process more inexpensive, such as by using freeze-drying, or finding alternative materials that can provide the same insulating function at lower cost, such as membranes separated by an air gap.

      While the other materials used in the system are readily available and relatively inexpensive, Lu says, “the aerogel is the only material that’s a product from the lab that requires further development in terms of mass production.” And it’s impossible to predict how long that development might take before this system can be made practical for widespread use, he says.

      The research team included Lenan Zhang of MIT’s Department of Mechanical Engineering and Jatin Patil of the Department of Materials Science and Engineering. More

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      SMART Innovation Center awarded five-year NRF grant for new deep tech ventures

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      The Singapore-MIT Alliance for Research and Technology (SMART), MIT’s research enterprise in Singapore has announced a five-year grant awarded to the SMART Innovation Center (SMART IC) by the National Research Foundation Singapore (NRF) as part of its Research, Innovation and Enterprise 2025 Plan. The SMART IC plays a key role in accelerating innovation and entrepreneurship in Singapore and will channel the grant toward refining and commercializing developments in the field of deep technologies through financial support and training.

      Singapore has recently expanded its innovation ecosystem to hone deep technologies to solve complex problems in areas of pivotal importance. While there has been increased support for deep tech here, with investments in deep tech startups surging from $324 million in 2020 to $861 million in 2021, startups of this nature tend to take a longer time to scale, get acquired, or get publicly listed due to increased time, labor, and capital needed. By providing researchers with financial and strategic support from the early stages of their research and development, the SMART IC hopes to accelerate this process and help bring new and disruptive technologies to the market.

      “SMART’s Innovation Center prides itself as being one of the key drivers of research and innovation, by identifying and nurturing emerging technologies and accelerating them towards commercialization,” says Howard Califano, director of SMART IC. “With the support of the NRF, we look forward to another five years of further growing the ecosystem by ensuring an environment where research — and research funds — are properly directed to what the market and society need. This is how we will be able to solve problems faster and more efficiently, and ensure that value is generated from scientific research.”

      Set up in 2009 by MIT and funded by the NRF, the SMART IC furthers SMART’s goals by nurturing promising and innovative technologies that faculty and research teams in Singapore are working on. Some emerging technologies include, but are not limited to, biotechnology, biomedical devices, information technology, new materials, nanotechnology, and energy innovations.

      Having trained over 300 postdocs since its inception, the SMART IC has supported the launch of 55 companies that have created over 3,300 jobs. Some of these companies were spearheaded by SMART’s interdisciplinary research groups, including biotech companies Theonys and Thrixen, autonomous vehicle software company nuTonomy, and integrated circuit company New Silicon. During the RIE 2020 period, 66 Ignition Grants and 69 Innovation Grants were awarded to SMART’s researchers, as well as faculty at other Singapore universities and research institutes.

      The following four programs are open to researchers from education and research facilities, as well as institutes of higher learning, in Singapore:

      Innovation Grant 2.0: The enhanced SMART Innovation Center’s flagship program, the Innovation Grant 2.0, is a gated three-phase program focused on enabling scientist-entrepreneurs to launch a successful venture, with training and intense monitoring across all phases. This grant program can provide up to $800,000 Singaporean dollars and is open to all areas of deep technology (engineering, artificial intelligence, biomedical, new materials, etc). The first grant call for the Innovation Grant 2.0 is open through Oct. 15. Researchers, scientists, and engineers at Singapore’s public institutions of higher learning, research centers, public hospitals, and medical research centers — especially those working on disruptive technologies with commercial potential — are invited to apply for the Innovation Grant 2.0.

      I2START Grant: In collaboration with SMART, the National Health Innovation Center Singapore, and Enterprise Singapore, this novel integrated program will develop master classes on venture building, with a focus on medical devices, diagnostics, and medical technologies. The grant amount is up to S$1,350,000. Applications are accepted throughout the year.

      STDR Stream 2: The Singapore Therapeutics Development Review (STDR) program is jointly operated by SMART, the Agency for Science, Technology and Research (A*STAR), and the Experimental Drug Development Center. The grant is available in two phases, a pre-pilot phase of S$100,000 and a Pilot phase of S$830,000, with a potential combined total of up to S$930,000. The next STDR Pre-Pilot grant call will open on Sept. 15.

      Central Gap Fund: The SMART IC is an Innovation and Enterprise Office under the NRF’s Central Gap Fund. This program helps projects that have already received an Innovation 2.0, STDR Stream 2, or I2START Grant but require additional funding to bridge to seed or Series A funding, with possible funding of up to S$5 million. Applications are accepted throughout the year.

      The SMART IC will also continue developing robust entrepreneurship mentorship programs and regular industry events to encourage closer collaboration among faculty innovators and the business community.

      “SMART, through the Innovation Center, is honored to be able to help researchers take these revolutionary technologies to the marketplace, where they can contribute to the economy and society. The projects we fund are commercialized in Singapore, ensuring that the local economy is the first to benefit,” says Eugene Fitzgerald, chief executive officer and director of SMART, and professor of materials science and engineering at MIT.

      SMART was established by MIT and the NRF in 2007 and serves as an intellectual and innovation hub for cutting-edge research of interest to both parties. SMART is the first entity in the Campus for Research Excellence and Technological Enterprise. SMART currently comprises an Innovation Center and five Interdisciplinary Research Groups: Antimicrobial Resistance, Critical Analytics for Manufacturing Personalized-Medicine, Disruptive and Sustainable Technologies for Agricultural Precision, Future Urban Mobility, and Low Energy Electronic Systems.

      The SMART IC was set up by MIT and the NRF in 2009. It identifies and nurtures a broad range of emerging technologies including but not limited to biotechnology, biomedical devices, information technology, new materials, nanotechnology, and energy innovations, and accelerates them toward commercialization. The SMART IC runs a rigorous grant system that identifies and funds promising projects to help them de-risk their technologies, conduct proof-of-concept experiments, and determine go-to-market strategies. It also prides itself on robust entrepreneurship boot camps and mentorship, and frequent industry events to encourage closer collaboration among faculty innovators and the business community. SMART’s Innovation grant program is the only scheme that is open to all institutes of higher learning and research institutes across Singapore. More

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      J-WAFS awards $150K Solutions grant to Patrick Doyle and team for rapid removal of micropollutants from water

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      The Abdul Latif Jameel Water and Food Systems Lab (J-WAFS) has awarded a 2022 J-WAFS Solutions grant to Patrick S. Doyle, the Robert T. Haslam Professor of Chemical Engineering at MIT, for his innovative system to tackle water pollution. Doyle will be working with co-Principal Investigator Rafael Gomez-Bombarelli, assistant professor in materials processing in the Department of Materials Science, as well as PhD students Devashish Gokhale and Tynan Perez. Building off of findings from a 2019 J-WAFS seed grant, Doyle and the research team will create cost-effective industry-scale processes to remove micropollutants from water. Project work will commence this month.

      The J-WAFS Solutions program provides one-year, renewable, commercialization grants to help move MIT technology from the laboratory to market. Grants of up to $150,000 are awarded to researchers with breakthrough technologies and inventions in water or food. Since its launch in 2015, J-WAFS Solutions grants have led to seven spinout companies and helped commercialize two products as open-source technologies. The grant program is supported by Community Jameel.

      A widespread problem 

      Micropollutants are contaminants that occur in low concentrations in the environment, yet continuous exposure and bioaccumulation of micropollutants make them a cause for concern. According to the U.S. Environmental Protection Agency, the plastics derivative Bisphenol A (BPA), the “forever chemicals” per-and polyfluoroalkyl substances (PFAS), and heavy metals like lead are common micropollutants known to be found in more than 85 percent of rivers, ponds, and lakes in the United States. Many of these bodies of water are sources of drinking water. Over long periods of time, exposure to micropollutants through drinking water can cause physiological damage in humans, increasing the risk of cancer, developmental disorders, and reproductive failure.

      Since micropollutants occur in low concentrations, it is difficult to detect and monitor their presence, and the chemical diversity of micropollutants makes it difficult to inexpensively remove them from water. Currently, activated carbon is the industry standard for micropollutant elimination, but this method cannot efficiently remove contaminants at parts-per-billion and parts-per-trillion concentrations. There are also strong sustainability concerns associated with activated carbon production, which is energy-intensive and releases large volumes of carbon dioxide.

      A solution with societal and economic benefits

      Doyle and his team are developing a technology that uses sustainable hydrogel microparticles to remove micropollutants from water. The polymeric hydrogel microparticles use chemically anchored structures including micelles and other chelating agents that act like a sponge by absorbing organic micropollutants and heavy metal ions. The microparticles are large enough to separate from water using simple gravitational settling. The system is sustainable because the microparticles can be recycled for continuous use. In testing, the long-lasting, reusable microparticles show quicker removal of contaminants than commercial activated carbon. The researchers plan to utilize machine learning to find optimal microparticle compositions that maximize performance on complex combinations of micropollutants in simulated and real wastewater samples.

      Economically, the technology is a new offering that has applications in numerous large markets where micropollutant elimination is vital, including municipal and industrial water treatment equipment, as well as household water purification systems. The J-WAFS Solutions grant will allow the team to build and test prototypes of the water treatment system, identify the best use cases and customers, and perform technoeconomic analyses and market research to formulate a preliminary business plan. With J-WAFS commercialization support, the project could eventually lead to a startup company.

      “Emerging micropollutants are a growing threat to drinking water supplies worldwide,” says J-WAFS Director John H. Lienhard, the Abdul Latif Jameel Professor of Water at MIT. “Cost-effective and scalable technologies for micropollutant removal are urgently needed. This project will develop and commercialize a promising new tool for water treatment, with the goal of improving water quality for millions of people.” More

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      A simple way to significantly increase lifetimes of fuel cells and other devices

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      In research that could jump-start work on a range of technologies including fuel cells, which are key to storing solar and wind energy, MIT researchers have found a relatively simple way to increase the lifetimes of these devices: changing the pH of the system.

      Fuel and electrolysis cells made of materials known as solid metal oxides are of interest for several reasons. For example, in the electrolysis mode, they are very efficient at converting electricity from a renewable source into a storable fuel like hydrogen or methane that can be used in the fuel cell mode to generate electricity when the sun isn’t shining or the wind isn’t blowing. They can also be made without using costly metals like platinum. However, their commercial viability has been hampered, in part, because they degrade over time. Metal atoms seeping from the interconnects used to construct banks of fuel/electrolysis cells slowly poison the devices.

      “What we’ve been able to demonstrate is that we can not only reverse that degradation, but actually enhance the performance above the initial value by controlling the acidity of the air-electrode interface,” says Harry L. Tuller, the R.P. Simmons Professor of Ceramics and Electronic Materials in MIT’s Department of Materials Science and Engineering (DMSE).

      The research, initially funded by the U.S. Department of Energy through the Office of Fossil Energy and Carbon Management’s (FECM) National Energy Technology Laboratory, should help the department meet its goal of significantly cutting the degradation rate of solid oxide fuel cells by 2035 to 2050.

      “Extending the lifetime of solid oxide fuels cells helps deliver the low-cost, high-efficiency hydrogen production and power generation needed for a clean energy future,” says Robert Schrecengost, acting director of FECM’s Division of Hydrogen with Carbon Management. “The department applauds these advancements to mature and ultimately commercialize these technologies so that we can provide clean and reliable energy for the American people.”

      “I’ve been working in this area my whole professional life, and what I’ve seen until now is mostly incremental improvements,” says Tuller, who was recently named a 2022 Materials Research Society Fellow for his career-long work in solid-state chemistry and electrochemistry. “People are normally satisfied with seeing improvements by factors of tens-of-percent. So, actually seeing much larger improvements and, as importantly, identifying the source of the problem and the means to work around it, issues that we’ve been struggling with for all these decades, is remarkable.”

      Says James M. LeBeau, the John Chipman Associate Professor of Materials Science and Engineering at MIT, who was also involved in the research, “This work is important because it could overcome [some] of the limitations that have prevented the widespread use of solid oxide fuel cells. Additionally, the basic concept can be applied to many other materials used for applications in the energy-related field.”

      A report describing the work was reported Aug. 11, in Energy & Environmental Science. Additional authors of the paper are Han Gil Seo, a DMSE postdoc; Anna Staerz, formerly a DMSE postdoc, now at Interuniversity Microelectronics Centre (IMEC) Belgium and soon to join the Colorado School of Mines faculty; Dennis S. Kim, a DMSE postdoc; Dino Klotz, a DMSE visiting scientist, now at Zurich Instruments; Michael Xu, a DMSE graduate student; and Clement Nicollet, formerly a DMSE postdoc, now at the Université de Nantes. Seo and Staerz contributed equally to the work.

      Changing the acidity

      A fuel/electrolysis cell has three principal parts: two electrodes (a cathode and anode) separated by an electrolyte. In the electrolysis mode, electricity from, say, the wind, can be used to generate storable fuel like methane or hydrogen. On the other hand, in the reverse fuel cell reaction, that storable fuel can be used to create electricity when the wind isn’t blowing.

      A working fuel/electrolysis cell is composed of many individual cells that are stacked together and connected by steel metal interconnects that include the element chrome to keep the metal from oxidizing. But “it turns out that at the high temperatures that these cells run, some of that chrome evaporates and migrates to the interface between the cathode and the electrolyte, poisoning the oxygen incorporation reaction,” Tuller says. After a certain point, the efficiency of the cell has dropped to a point where it is not worth operating any longer.

      “So if you can extend the life of the fuel/electrolysis cell by slowing down this process, or ideally reversing it, you could go a long way towards making it practical,” Tuller says.

      The team showed that you can do both by controlling the acidity of the cathode surface. They also explained what is happening.

      To achieve their results, the team coated the fuel/electrolysis cell cathode with lithium oxide, a compound that changes the relative acidity of the surface from being acidic to being more basic. “After adding a small amount of lithium, we were able to recover the initial performance of a poisoned cell,” Tuller says. When the engineers added even more lithium, the performance improved far beyond the initial value. “We saw improvements of three to four orders of magnitude in the key oxygen reduction reaction rate and attribute the change to populating the surface of the electrode with electrons needed to drive the oxygen incorporation reaction.”

      The engineers went on to explain what is happening by observing the material at the nanoscale, or billionths of a meter, with state-of-the-art transmission electron microscopy and electron energy loss spectroscopy at MIT.nano. “We were interested in understanding the distribution of the different chemical additives [chromium and lithium oxide] on the surface,” says LeBeau.

      They found that the lithium oxide effectively dissolves the chromium to form a glassy material that no longer serves to degrade the cathode performance.

      Applications for sensors, catalysts, and more

      Many technologies like fuel cells are based on the ability of the oxide solids to rapidly breathe oxygen in and out of their crystalline structures, Tuller says. The MIT work essentially shows how to recover — and speed up — that ability by changing the surface acidity. As a result, the engineers are optimistic that the work could be applied to other technologies including, for example, sensors, catalysts, and oxygen permeation-based reactors.

      The team is also exploring the effect of acidity on systems poisoned by different elements, like silica.

      Concludes Tuller: “As is often the case in science, you stumble across something and notice an important trend that was not appreciated previously. Then you test that concept further, and you discover that it is really very fundamental.”

      In addition to the DOE, this work was also funded by the National Research Foundation of Korea, the MIT Department of Materials Science and Engineering via Tuller’s appointment as the R.P. Simmons Professor of Ceramics and Electronic Materials, and the U.S. Air Force Office of Scientific Research. More

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      Designing zeolites, porous materials made to trap molecules

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      Zeolites are a class of minerals used in everything from industrial catalysts and chemical filters to laundry detergents and cat litter. They are mostly composed of silicon and aluminum — two abundant, inexpensive elements — plus oxygen; they have a crystalline structure; and most significantly, they are porous. Among the regularly repeating atomic patterns in them are tiny interconnected openings, or pores, that can trap molecules that just fit inside them, allow smaller ones to pass through, or block larger ones from entering. A zeolite can remove unwanted molecules from gases and liquids, or trap them temporarily and then release them, or hold them while they undergo rapid chemical reactions.

      Some zeolites occur naturally, but they take unpredictable forms and have variable-sized pores. “People synthesize artificial versions to ensure absolute purity and consistency,” says Rafael Gómez-Bombarelli, the Jeffrey Cheah Career Development Chair in Engineering in the Department of Materials Science and Engineering (DMSE). And they work hard to influence the size of the internal pores in hopes of matching the molecule or other particle they’re looking to capture.

      The basic recipe for making zeolites sounds simple. Mix together the raw ingredients — basically, silicon dioxide and aluminum oxide — and put them in a reactor for a few days at a high temperature and pressure. Depending on the ratio between the ingredients and the temperature, pressure, and timing, as the initial gel slowly solidifies into crystalline form, different zeolites emerge.

      But there’s one special ingredient to add “to help the system go where you want it to go,” says Gómez-Bombarelli. “It’s a molecule that serves as a template so that the zeolite you want will crystallize around it and create pores of the desired size and shape.”

      The so-called templating molecule binds to the material before it solidifies. As crystallization progresses, the molecule directs the structure, or “framework,” that forms around it. After crystallization, the temperature is raised and the templating molecule burns off, leaving behind a solid aluminosilicate material filled with open pores that are — given the correct templating molecule and synthesis conditions — just the right size and shape to recognize the targeted molecule.

      The zeolite conundrum

      Theoretical studies suggest that there should be hundreds of thousands of possible zeolites. But despite some 60 years of intensive research, only about 250 zeolites have been made. This is sometimes called the “zeolite conundrum.” Why haven’t more been made — especially now, when they could help ongoing efforts to decarbonize energy and the chemical industry?

      One challenge is figuring out the best recipe for making them: Factors such as the best ratio between the silicon and aluminum, what cooking temperature to use, and whether to stir the ingredients all influence the outcome. But the real key, the researchers say, lies in choosing a templating molecule that’s best for producing the intended zeolite framework. Making that match is difficult: There are hundreds of known templating molecules and potentially a million zeolites, and researchers are continually designing new molecules because millions more could be made and might work better.

      For decades, the exploration of how to synthesize a particular zeolite has been done largely by trial and error — a time-consuming, expensive, inefficient way to go about it. There has also been considerable effort to use “atomistic” (atom-by-atom) simulation to figure out what known or novel templating molecule to use to produce a given zeolite. But the experimental and modeling results haven’t generated reliable guidance. In many cases, researchers have carefully selected or designed a molecule to make a particular zeolite, but when they tried their molecule in the lab, the zeolite that formed wasn’t what they expected or desired. So they needed to start over.

      Those experiences illustrate what Gómez-Bombarelli and his colleagues believe is the problem that’s been plaguing zeolite design for decades. All the efforts — both experimental and theoretical — have focused on finding the templating molecule that’s best for forming a specific zeolite. But what if that templating molecule is also really good — or even better — at forming some other zeolite?

      To determine the “best” molecule for making a certain zeolite framework, and the “best” zeolite framework to act as host to a particular molecule, the researchers decided to look at both sides of the pairing. Daniel Schwalbe-Koda PhD ’22, a former member of Gómez-Bombarelli’s group and now a postdoc at Lawrence Livermore National Laboratory, describes the process as a sort of dance with molecules and zeolites in a room looking for partners. “Each molecule wants to find a partner zeolite, and each zeolite wants to find a partner molecule,” he says. “But it’s not enough to find a good dance partner from the perspective of only one dancer. The potential partner could prefer to dance with someone else, after all. So it needs to be a particularly good pairing.” The upshot: “You need to look from the perspective of each of them.”

      To find the best match from both perspectives, the researchers needed to try every molecule with every zeolite and quantify how well the pairings worked.

      A broader metric for evaluating pairs

      Before performing that analysis, the researchers defined a new “evaluating metric” that they could use to rank each templating molecule-zeolite pair. The standard metric for measuring the affinity between a molecule and a zeolite is “binding energy,” that is, how strongly the molecule clings to the zeolite or, conversely, how much energy is required to separate the two. While recognizing the value of that metric, the MIT-led team wanted to take more parameters into account.

      Their new evaluating metric therefore includes not only binding energy but also the size, shape, and volume of the molecule and the opening in the zeolite framework. And their approach calls for turning the molecule to different orientations to find the best possible fit.

      Affinity scores for all molecule-zeolite pairs based on that evaluating metric would enable zeolite researchers to answer two key questions: What templating molecule will form the zeolite that I want? And if I use that templating molecule, what other zeolites might it form instead? Using the molecule-zeolite affinity scores, researchers could first identify molecules that look good for making a desired zeolite. They could then rule out the ones that also look good for forming other zeolites, leaving a set of molecules deemed to be “highly selective” for making the desired zeolite.  

      Validating the approach: A rich literature

      But does their new metric work better than the standard one? To find out, the team needed to perform atomistic simulations using their new evaluating metric and then benchmark their results against experimental evidence reported in the literature. There are many thousands of journal articles reporting on experiments involving zeolites — in many cases, detailing not only the molecule-zeolite pairs and outcomes but also synthesis conditions and other details. Ferreting out articles with the information the researchers needed was a job for machine learning — in particular, for natural language processing.

      For that task, Gómez-Bombarelli and Schwalbe-Koda turned to their DMSE colleague Elsa Olivetti PhD ’07, the Esther and Harold E. Edgerton Associate Professor in Materials Science and Engineering. Using a literature-mining technique that she and a group of collaborators had developed, she and her DMSE team processed more than 2 million materials science papers, found some 90,000 relating to zeolites, and extracted 1,338 of them for further analysis. The yield was 549 templating molecules tested, 209 zeolite frameworks produced, and 5,663 synthesis routes followed.

      Based on those findings, the researchers used their new evaluating metric and a novel atomistic simulation technique to examine more than half-a-million templating molecule-zeolite pairs. Their results reproduced experimental outcomes reported in more than a thousand journal articles. Indeed, the new metric outperformed the traditional binding energy metric, and their simulations were orders of magnitude faster than traditional approaches.

      Ready for experimental investigations

      Now the researchers were ready to put their approach to the test: They would use it to design new templating molecules and try them out in experiments performed by a team led by Yuriy Román-Leshkov, the Robert T. Haslam (1911) Professor of Chemical Engineering, and a team from the Instituto de Tecnologia Química in Valencia, Spain, led by Manuel Moliner and Avelino Corma.

      One set of experiments focused on a zeolite called chabazite, which is used in catalytic converters for vehicles. Using their techniques, the researchers designed a new templating molecule for synthesizing chabazite, and the experimental results confirmed their approach. Their analyses had shown that the new templating molecule would be good for forming chabazite and not for forming anything else. “Its binding strength isn’t as high as other molecules for chabazite, so people hadn’t used it,” says Gómez-Bombarelli. “But it’s pretty good, and it’s not good for anything else, so it’s selective — and it’s way cheaper than the usual ones.”

      In addition, in their new molecule, the electrical charge is distributed differently than in the traditional ones, which led to new possibilities. The researchers found that by adjusting both the shape and charge of the molecule, they could control where the negative charge occurs on the pore that’s created in the final zeolite. “The charge placement that results can make the chabazite a much better catalyst than it was before,” says Gómez-Bombarelli. “So our same rules for molecule design also determine where the negative charge is going to end up, which can lead to whole different classes of catalysts.”

      Schwalbe-Koda describes another experiment that demonstrates the importance of molecular shape as well as the types of new materials made possible using the team’s approach. In one striking example, the team designed a templating molecule with a height and width that’s halfway between those of two molecules that are now commonly used—one for making chabazite and the other for making a zeolite called AEI. (Every new zeolite structure is examined by the International Zeolite Association and — once approved — receives a three-letter designation.)

      Experiments using that in-between templating molecule resulted in the formation of not one zeolite or the other, but a combination of the two in a single solid. “The result blends two different structures together in a way that the final result is better than the sum of its parts,” says Schwalbe-Koda. “The catalyst is like the one used in catalytic converters in today’s trucks — only better.” It’s more efficient in converting nitrogen oxides to harmless nitrogen gases and water, and — because of the two different pore sizes and the aluminosilicate composition — it works well on exhaust that’s fairly hot, as during normal operation, and also on exhaust that’s fairly cool, as during startup.

      Putting the work into practice

      As with all materials, the commercial viability of a zeolite will depend in part on the cost of making it. The researchers’ technique can identify promising templating molecules, but some of them may be difficult to synthesize in the lab. As a result, the overall cost of that molecule-zeolite combination may be too high to be competitive.

      Gómez-Bombarelli and his team therefore include in their assessment process a calculation of cost for synthesizing each templating molecule they identified — generally the most expensive part of making a given zeolite. They use a publicly available model devised in 2018 by Connor Coley PhD ’19, now the Henri Slezynger (1957) Career Development Assistant Professor of Chemical Engineering at MIT. The model takes into account all the starting materials and the step-by-step chemical reactions needed to produce the targeted templating molecule.

      However, commercialization decisions aren’t based solely on cost. Sometimes there’s a trade-off between cost and performance. “For instance, given our chabazite findings, would customers or the community trade a little bit of activity for a 100-fold decrease in the cost of the templating molecule?” says Gómez-Bombarelli. “The answer is likely yes. So we’ve made a tool that can help them navigate that trade-off.” And there are other factors to consider. For example, is this templating molecule truly novel, or have others already studied it — or perhaps even hold a patent on it?

      “While an algorithm can guide development of templating molecules and quantify specific molecule-zeolite matches, other types of assessments are best left to expert judgment,” notes Schwalbe-Koda. “We need a partnership between computational analysis and human intuition and experience.”

      To that end, the MIT researchers and their colleagues decided to share their techniques and findings with other zeolite researchers. Led by Schwalbe-Koda, they created an online database that they made publicly accessible and easy to use — an unusual step, given the competitive industries that rely on zeolites. The interactive website — zeodb.mit.edu — contains the researchers’ final metrics for templating molecule-zeolite pairs resulting from hundreds of thousands of simulations; all the identified journal articles, along with which molecules and zeolites were examined and what synthesis conditions were used; and many more details. Users are free to search and organize the data in any way that suits them.

      Gómez-Bombarelli, Schwalbe-Koda, and their colleagues hope that their techniques and the interactive website will help other researchers explore and discover promising new templating molecules and zeolites, some of which could have profound impacts on efforts to decarbonize energy and tackle climate change.

      This research involved a team of collaborators at MIT, the Instituto de Tecnologia Química (UPV-CSIC), and Stockholm University. The work was supported in part by the MIT Energy Initiative Seed Fund Program and by seed funds from the MIT International Science and Technology Initiative. Daniel Schwalbe-Koda was supported by an ExxonMobil-MIT Energy Fellowship in 2020–21.

      This article appears in the Spring 2022 issue of Energy Futures, the magazine of the MIT Energy Initiative. More

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      A new concept for low-cost batteries

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      As the world builds out ever larger installations of wind and solar power systems, the need is growing fast for economical, large-scale backup systems to provide power when the sun is down and the air is calm. Today’s lithium-ion batteries are still too expensive for most such applications, and other options such as pumped hydro require specific topography that’s not always available.

      Now, researchers at MIT and elsewhere have developed a new kind of battery, made entirely from abundant and inexpensive materials, that could help to fill that gap.

      The new battery architecture, which uses aluminum and sulfur as its two electrode materials, with a molten salt electrolyte in between, is described today in the journal Nature, in a paper by MIT Professor Donald Sadoway, along with 15 others at MIT and in China, Canada, Kentucky, and Tennessee.

      “I wanted to invent something that was better, much better, than lithium-ion batteries for small-scale stationary storage, and ultimately for automotive [uses],” explains Sadoway, who is the John F. Elliott Professor Emeritus of Materials Chemistry.

      In addition to being expensive, lithium-ion batteries contain a flammable electrolyte, making them less than ideal for transportation. So, Sadoway started studying the periodic table, looking for cheap, Earth-abundant metals that might be able to substitute for lithium. The commercially dominant metal, iron, doesn’t have the right electrochemical properties for an efficient battery, he says. But the second-most-abundant metal in the marketplace — and actually the most abundant metal on Earth — is aluminum. “So, I said, well, let’s just make that a bookend. It’s gonna be aluminum,” he says.

      Then came deciding what to pair the aluminum with for the other electrode, and what kind of electrolyte to put in between to carry ions back and forth during charging and discharging. The cheapest of all the non-metals is sulfur, so that became the second electrode material. As for the electrolyte, “we were not going to use the volatile, flammable organic liquids” that have sometimes led to dangerous fires in cars and other applications of lithium-ion batteries, Sadoway says. They tried some polymers but ended up looking at a variety of molten salts that have relatively low melting points — close to the boiling point of water, as opposed to nearly 1,000 degrees Fahrenheit for many salts. “Once you get down to near body temperature, it becomes practical” to make batteries that don’t require special insulation and anticorrosion measures, he says.

      The three ingredients they ended up with are cheap and readily available — aluminum, no different from the foil at the supermarket; sulfur, which is often a waste product from processes such as petroleum refining; and widely available salts. “The ingredients are cheap, and the thing is safe — it cannot burn,” Sadoway says.

      In their experiments, the team showed that the battery cells could endure hundreds of cycles at exceptionally high charging rates, with a projected cost per cell of about one-sixth that of comparable lithium-ion cells. They showed that the charging rate was highly dependent on the working temperature, with 110 degrees Celsius (230 degrees Fahrenheit) showing 25 times faster rates than 25 C (77 F).

      Surprisingly, the molten salt the team chose as an electrolyte simply because of its low melting point turned out to have a fortuitous advantage. One of the biggest problems in battery reliability is the formation of dendrites, which are narrow spikes of metal that build up on one electrode and eventually grow across to contact the other electrode, causing a short-circuit and hampering efficiency. But this particular salt, it happens, is very good at preventing that malfunction.

      The chloro-aluminate salt they chose “essentially retired these runaway dendrites, while also allowing for very rapid charging,” Sadoway says. “We did experiments at very high charging rates, charging in less than a minute, and we never lost cells due to dendrite shorting.”

      “It’s funny,” he says, because the whole focus was on finding a salt with the lowest melting point, but the catenated chloro-aluminates they ended up with turned out to be resistant to the shorting problem. “If we had started off with trying to prevent dendritic shorting, I’m not sure I would’ve known how to pursue that,” Sadoway says. “I guess it was serendipity for us.”

      What’s more, the battery requires no external heat source to maintain its operating temperature. The heat is naturally produced electrochemically by the charging and discharging of the battery. “As you charge, you generate heat, and that keeps the salt from freezing. And then, when you discharge, it also generates heat,” Sadoway says. In a typical installation used for load-leveling at a solar generation facility, for example, “you’d store electricity when the sun is shining, and then you’d draw electricity after dark, and you’d do this every day. And that charge-idle-discharge-idle is enough to generate enough heat to keep the thing at temperature.”

      This new battery formulation, he says, would be ideal for installations of about the size needed to power a single home or small to medium business, producing on the order of a few tens of kilowatt-hours of storage capacity.

      For larger installations, up to utility scale of tens to hundreds of megawatt hours, other technologies might be more effective, including the liquid metal batteries Sadoway and his students developed several years ago and which formed the basis for a spinoff company called Ambri, which hopes to deliver its first products within the next year. For that invention, Sadoway was recently awarded this year’s European Inventor Award.

      The smaller scale of the aluminum-sulfur batteries would also make them practical for uses such as electric vehicle charging stations, Sadoway says. He points out that when electric vehicles become common enough on the roads that several cars want to charge up at once, as happens today with gasoline fuel pumps, “if you try to do that with batteries and you want rapid charging, the amperages are just so high that we don’t have that amount of amperage in the line that feeds the facility.” So having a battery system such as this to store power and then release it quickly when needed could eliminate the need for installing expensive new power lines to serve these chargers.

      The new technology is already the basis for a new spinoff company called Avanti, which has licensed the patents to the system, co-founded by Sadoway and Luis Ortiz ’96 ScD ’00, who was also a co-founder of Ambri. “The first order of business for the company is to demonstrate that it works at scale,” Sadoway says, and then subject it to a series of stress tests, including running through hundreds of charging cycles.

      Would a battery based on sulfur run the risk of producing the foul odors associated with some forms of sulfur? Not a chance, Sadoway says. “The rotten-egg smell is in the gas, hydrogen sulfide. This is elemental sulfur, and it’s going to be enclosed inside the cells.” If you were to try to open up a lithium-ion cell in your kitchen, he says (and please don’t try this at home!), “the moisture in the air would react and you’d start generating all sorts of foul gases as well. These are legitimate questions, but the battery is sealed, it’s not an open vessel. So I wouldn’t be concerned about that.”

      The research team included members from Peking University, Yunnan University and the Wuhan University of Technology, in China; the University of Louisville, in Kentucky; the University of Waterloo, in Canada; Oak Ridge National Laboratory, in Tennessee; and MIT. The work was supported by the MIT Energy Initiative, the MIT Deshpande Center for Technological Innovation, and ENN Group. More