Chemistry

That lightbulb represents more than just a good idea

Rachel Sauer — Tue, 08 Jul 2025 18:39:18 +0000

That lightbulb represents more than just a good idea Rachel Sauer Tue, 07/08/2025 - 12:39

Rachel Sauer

In research recently published in Science, ɫ��ֱ�� scientists detail how light—rather than energy-intensive heat—can efficiently and sustainably catalyze chemical transformations

For many people, the role that manufactured chemicals plays in their lives—whether they’re aware of it or not—may begin first thing in the morning. That paint on the bedroom walls? It contains manufactured chemicals.

From there, manufactured chemicals may show up in prescription medicine, in the bowls containing breakfast, in the key fob that unlocks the car, in the road they take to work. These products are so ubiquitous that it’s hard to envision life without them.

Professor Niels Damrauer and his ɫ��ֱ�� and CSU research colleagues were inspired by photosynthesis in designing a system using LED lights to catalyze transformations commonly used in chemical manufacturing.

The process of transforming base materials into these desired products, however, has long come at significant environmental cost. Historically, catalyzing transformations in industrial processes has frequently used extreme heat to create the necessary energy.

Now, continuing to build on a growing body of research and discovery, ɫ��ֱ�� scientists are many steps closer to using light instead of heat to catalyze transformations in industrial processes.

In a study recently published in Science, Niels Damrauer, a ɫ��ֱ�� professor of chemistry and Renewable and Sustainable Energy Institute fellow, and his research colleagues at ɫ��ֱ�� and Colorado State University found that a system using LED lights can catalyze transformations commonly used in chemical manufacturing. And it’s entirely possible, Damrauer says, that sunlight could ultimately be the light source in this system.

“With many transformations, the economics are, ‘Well, I need this product and I’m going to sell it at this price, so my energy costs can’t be larger than this amount to make a profit’,” Damrauer says. “But when you start to think about climate change and start to think about trying to create more efficient ways to make things, you need different approaches.

“You can do that chemistry with very harsh conditions, but those harsh conditions demand energy use. The particular chemistry we are able to do in this paper suggests we’ve figured out a way to do these transformations under mild conditions.”

Inspired by plants

Damrauer and his colleagues—including first authors Arindam Sau, a ɫ��ֱ�� PhD candidate in chemistry, and Amreen Bains, a postdoctoral scholar in chemistry at Colorado State University in the group of Professor Garret Miyake—work in a branch of chemistry called photoredox catalysis, “where ‘photo’ means light and ‘redox’ means reduction and oxidation,” Damrauer explains. “This type of chemistry is fundamentally inspired by photosynthesis. A lot of chemistry—not all of chemistry, but a huge fraction of chemistry—involves the movement of electrons out of things and into other things to make transformations. That happens in plants, and it happens in photoredox catalysis as well.

“In photosynthesis, there’s a beautiful control over not only the motion of electrons but the motion of protons. It’s in the coupling of those two motions that a plant derives functions it’s able to achieve in taking electrons out of something like water and storing it in CO2 as something like sugar.”

Further inspired by photosynthesis and a plant’s use of chlorophyl to collect sunlight, the research team used an organic dye molecule as a sort of “pre-catalyst” that absorbs light and transforms into a catalyst molecule, which also absorbs light and accelerates chemical reactions. And because the four LED lights surrounding the reactor are only slightly brighter than a regular home LED lightbulb, the transformation process happens at room temperature rather than extreme heat.

The molecule is also able to “reset” itself afterward and harvest more light, beginning the process anew.

“We set out to understand the behavior of a photocatalyst that was inefficient at this process, and my student Arindam discovered there was this fundamental transformation to the molecule occurring while we did the reaction,” Damrauer says, adding that the team discovered there are key motions not just of electrons, which is essential for photoredox, but also of protons.

“In our mechanism, the motion of the proton occurs in the formation of a water molecule, and that very stable molecule prevents another event that would undermine the storage of energy that we’re trying to achieve,” Damrauer says. “We figured out what the reaction was and, based on that reaction, we started to make simpler molecules.

“This was a really fortuitous discovery process: We were studying something, saw a change, took the knowledge of what that change was and started to design systems that were even better. This is the best advertisement for basic science—sometimes you can’t design it; you’ve got to discover things, you’ve got to have that freedom.”

A sunny future

Damrauer, Sau and their colleagues in the multidisciplinary, multi-institutional Sustainable Photoredox Catalysis Research Center (SuPRCat) are continuing to build on these discoveries, which happen at a small scale now but may have the potential for large-scale commercial use.

In an essay for The Conversation, Sau noted, “Our work points toward a future where chemicals are made using light instead of heat. For example, our catalyst can turn benzene—a simple component of crude oil—into a form called cyclohexadienes. This is a key step in making the building blocks for nylon. Improving this part of the process could reduce the carbon footprint of nylon production.

“Imagine manufacturers using LED reactors or even sunlight to power the production of essential chemicals. LEDs still use electricity, but they need far less energy compared with the traditional heating methods used in chemical manufacturing. As we scale things up, we’re also figuring out ways to harness sunlight directly, making the entire process even more sustainable and energy efficient.”

Damrauer adds that he and his colleagues aren’t trying to change the nature of manufactured chemicals, but the approach to how they’re made. “We’re not looking at making more stable paint, for example, but we’re asking if it costs a certain number of joules to make that gallon of paint, how can we reduce that?”

In addition to Niels Damrauer, Arindam Sau and Amreen Bains, Brandon Portela, Kajal Kajal, Alexander Green, Anna Wolff, Ludovic Patin, Robert Paton and Garret Miyake contributed to this research.

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In research recently published in Science, ɫ��ֱ�� scientists detail how light—rather than energy-intensive heat—can efficiently and sustainably catalyze chemical transformations.

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Top image: dreamstime.com

Harnessing the abundant resource of sunlight

Rachel Sauer — Tue, 24 Jun 2025 17:55:24 +0000

Harnessing the abundant resource of sunlight Rachel Sauer Tue, 06/24/2025 - 11:55

Arindam Sau , Amreen Bains and Anna Wolff

Light-powered reactions could make the chemical manufacturing industry more energy-efficient

Manufactured chemicals and materials are necessary for practically every aspect of daily life, from life-saving pharmaceuticals to plastics, fuels and fertilizers. Yet manufacturing these important chemicals comes at a steep energy cost.

Many of these industrial chemicals are derived primarily from fossil fuel-based materials. These compounds are typically very stable, making it difficult to transform them into useful products without applying harsh and energy-demanding reaction conditions.

Arindam Sau, a Ph.D. candidate in the ɫ��ֱ�� Department of Chemistry, along with Colorado State University research colleagues Amreen Bains and Anna Wolff, have been working on a system that uses light to power reactions commonly used in the chemical manufacturing industry.

As a result, transforming these stubborn materials contributes significantly to the world’s overall energy use. In 2022, the industrial sector consumed 37% of the world’s total energy, with the chemical industry responsible for approximately 12% of that demand.

Conventional chemical manufacturing processes use heat to generate the energy needed for reactions that take place at high temperatures and pressures. An approach that uses light instead of heat could lower energy demands and allow reactions to be run under gentler conditions — like at room temperature instead of extreme heat.

Sunlight represents one of the most abundant yet underutilized energy sources on Earth. In nature, this energy is captured through photosynthesis, where plants convert light into chemical energy. Inspired by this process, our team of chemists at the Center for Sustainable Photoredox Catalysis, a research center funded by the National Science Foundation, has been working on a system that uses light to power reactions commonly used in the chemical manufacturing industry. We published our results in the journal Science in June 2025.

We hope that this method could provide a more economical route for creating industrial chemicals out of fossil fuels. At the same time, since it doesn’t rely on super-high temperatures or pressures, the process is safer, with fewer chances for accidents.

How does our system work?

The photoredox catalyst system that our team has developed is powered by simple LEDs, and it operates efficiently at room temperature.

At the core of our system is an organic photoredox catalyst: a specialized molecule that we know accelerates chemical reactions when exposed to light, without being consumed in the process.

Much like how plants rely on pigments to harvest sunlight for photosynthesis, our photoredox catalyst absorbs multiple particles of light, called photons, in a sequence.

These photons provide bursts of energy, which the catalyst stores and then uses to kick-start reactions. This “multi-photon” harvesting builds up enough energy to force very stubborn molecules into undergoing reactions that would otherwise need highly reactive metals. Once the reaction is complete, the photocatalyst resets itself, ready to harvest more light and keep the process going without creating extra waste.

Designing molecules that can absorb multiple photons and react with stubborn molecules is tough. One big challenge is that after a molecule absorbs a photon, it only has a tiny window of time before that energy fades away or gets lost. Plus, making sure the molecule uses that energy the right way is not easy. The good news is we’ve found that our catalyst can do this efficiently at room temperature.

Enabling greener chemical manufacturing

CSU chemistry researcher Amreen Bains performs a light-driven photoredox catalyzed reaction. (Photo: John Cline/Colorado State University Photography)

Our work points toward a future where chemicals are made using light instead of heat. For example, our catalyst can turn benzene — a simple component of crude oil — into a form called cyclohexadienes. This is a key step in making the building blocks for nylon. Improving this part of the process could reduce the carbon footprint of nylon production.

Imagine manufacturers using LED reactors or even sunlight to power the production of essential chemicals. LEDs still use electricity, but they need far less energy compared with the traditional heating methods used in chemical manufacturing. As we scale things up, we’re also figuring out ways to harness sunlight directly, making the entire process even more sustainable and energy-efficient.

Right now, we’re using our photoredox catalysts successfully in small lab experiments — producing just milligrams at a time. But to move into commercial manufacturing, we’ll need to show that these catalysts can also work efficiently at a much larger scale, making kilograms or even tons of product. Testing them in these bigger reactions will ensure that they’re reliable and cost-effective enough for real-world chemical manufacturing.

Similarly, scaling up this process would require large-scale reactors that use light efficiently. Building those will first require designing new types of reactors that let light reach deeper inside. They’ll need to be more transparent or built differently so the light can easily get to all parts of the reaction.

Our team plans to keep developing new light-driven techniques inspired by nature’s efficiency. Sunlight is a plentiful resource, and by finding better ways to tap into it, we hope to make it easier and cleaner to produce the chemicals and materials that modern life depends on.

Arindam Sau is a Ph.D. candidate in the ɫ��ֱ�� Department of Chemistry; Amreen Bains is a postdoctoral scholar in chemistry at Colorado State University; Anna Wolff is a PhD student in chemistry at Colorado State University.

This article is republished from The Conversation under a Creative Commons license. Read the original article.

Light-powered reactions could make the chemical manufacturing industry more energy-efficient.

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Shining a light on the ‘forever’ in forever chemicals

Rachel Sauer — Thu, 23 Jan 2025 17:30:54 +0000

Shining a light on the ‘forever’ in forever chemicals Rachel Sauer Thu, 01/23/2025 - 10:30

Rachel Sauer

ɫ��ֱ�� chemist Niels Damrauer and his research colleagues use visible light to break environmentally persistent carbon-fluorine bonds in PFAS

The strength of the bond between carbon and fluorine can be both a positive and a negative. Because of its seeming unbreakablility, food doesn’t stick to Teflon-coated frying pans and water rolls off rain jackets rather than soaking in.

However, these bonds are also what put the “forever” in “forever chemicals,” the common name for the thousands of compounds that are perfluoroalkyl and polyfluoroalkyl substances (PFAS). PFAS are so commercially abundant that they can be found in everything from candy wrappers to home electronics and guitar strings—to say nothing of their presence in industrial products.

Niels Damrauer, a ɫ��ֱ�� professor of chemistry, and his research colleagues are using visible light to break environmentally persistent carbon-fluorine bonds in PFAS.

The C-F bond is so difficult to break that the products containing it could linger in the environment for thousands of years. And when these molecules linger in a human body, they are associated with increased risk for cancer, thyroid disease, asthma and a host of other adverse health outcomes.

“There are a lot of interesting things about those bonds,” says Niels Damrauer, a ɫ��ֱ�� professor of chemistry and fellow in the Renewable and Sustainable Energy Institute. “(The C-F bond) is very unnatural. There are a lot of chemical bonds in the world that natural systems have evolved to be able to destroy, but C-F bonds are uncommon in nature, so there aren’t bacteria that have evolved to break those down.”

Instead of long-used methods of breaking or activating chemical bonds, Damrauer and his research colleagues have looked to light. In a study recently published in the journal Nature, the scientists detail an important finding in their ongoing research, showing how a light-driven catalyst can efficiently reduce C-F bonds.

“What we’re really trying to do is figure out sustainable ways of making transformations,” Damrauer explains. “We’re asking, ‘Can we change chemical reactivity through light absorption that we wouldn’t necessarily be able to achieve without it?’ For example, you can break down PFAS at thousands of degrees, but that’s not sustainable. We’re using light to do this, a reagent that’s very abundant and that’s sustainable.”

A foundation of spectroscopy

An important foundation for this research is spectroscopy, which can use light to study chemical reactions that are initiated with light, as well as the properties of molecules that have absorbed light. As a spectroscopist, Damrauer does this in a number of ways on a variety of time scales: “We can put light into molecules and study what they do in trillionths of a second, or we can follow the paths of molecules once they have absorbed light and what they do with the excess energy.”

Damrauer and his colleagues, including those in his research group, frequently work in photoredox catalysis, a branch of photochemistry that studies the giving and taking of electrons as a way to initiate chemical reactions.

“The idea is that in some molecules, absorption of light changes their properties in terms of how they give up electrons or take in electrons from the environment,” Damrauer explains. “That giving and taking—giving an electron is called reduction and taking is called oxidation—so that if you can put light in and cause molecules to be good reducers or good oxidizers, it changes some things you can do. We create situations where we catalyze transformations and cause a chemical reaction to occur.”

Damrauer and his research colleague Garret Miyake, formerly of the ɫ��ֱ�� Department of Chemistry and now at Colorado State University, have collaborated for many years to understand molecules that give up electrons—the process of reduction—after absorbing light.

Using light as a reagent to activate carbon-fluorine bonds, rather than heat or precious metal-based catalysts, is a much more sustainable solution, says ɫ��ֱ�� researcher Niels Damrauer.

Several years ago, Miyake and his research group discovered a catalyst to reduce benzene, a molecule that’s notoriously difficult to reduce, once it had absorbed light. Damrauer and his graduate students Arindam Sau and Nick Pompetti worked with Miyake and his postdoc and students to understand why and how this catalyst worked, and they began looking at whether this and similar catalysts could activate the C-F bond—either breaking it or remaking it in useful products. This team also worked with Rob Paton, a computational chemist at CSU, and his group.

They found that within the scope of their study, the C-F bond in molecules irradiated with visible light—which could, in principle, be derived from the sun—and catalyzed in a system they developed could be activated. They found that several PFAS compounds could then be converted into defluorinated products, essentially breaking the C-F bond and “representing a mild reaction methodology for breaking down these persistent chemicals,” they note in the study.

Making better catalysts

A key element of the study is that the C-F bond is “activated,” meaning it could be broken—in the case of PFAS—or remade. “C-F bonds are precursors to molecules you might want to make in chemistry, like pharmaceuticals or other materials,” Damrauer says. “They’re a building block people don’t use very much because that bond is so strong. But if we can activate that bond and can use it to make molecules, then from a pharmaceutical perspective this system might already be practical.”

While the environmental persistence of PFAS is a serious public health and policy concern, “organofluorines [containing C-F bonds] have a tremendous impact in medicinal, agrochemical and materials sciences as fluorine incorporation results in structures imparting specific beneficial attributes,” Damrauer and his colleagues write.

By pursuing systems that mitigate the negative aspects of C-F bonds and harness the positive, and using the abundant resources of visible light and organic molecules, Damrauer says he hopes this research is a significant step toward sustainably producing products that use light as a reagent rather than heat or precious metal-based catalysts.

While the catalytic process the researchers developed is not yet at a level that it could be used on PFAS in the environment at a large scale, “this fundamental understanding is really important,” Damrauer says. “It allows us to evolve what we do next. While the current iteration isn’t good enough for practical application, we’re working to make better and better catalysts.”

Xin Liu, Arindam Sau, Alexander R. Green, Mihai V. Popescu, Nicholas F. Pompetti, Yingzi Li, Yucheng Zhao, Robert S. Paton and Garret M. Miyake also contributed to this research.

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ɫ��ֱ�� chemist Niels Damrauer and his research colleagues use visible light to break environmentally persistent carbon-fluorine bonds in PFAS.

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Breaking bonds in 'forever chemicals'

Rachel Sauer — Fri, 20 Dec 2024 17:23:20 +0000

Breaking bonds in 'forever chemicals' Rachel Sauer Fri, 12/20/2024 - 10:23

Arindam Sau , Mihai Popescu and Xin Liu

We developed a way to use light to dismantle PFAS ‘forever chemicals’–long-lasting environmental pollutants

Perfluoroalkyl and polyfluoroalkyl substances, or PFAS, have earned the nickname of forever chemicals from their extraordinary ability to stick around in the environment long after they’ve been used.

These synthetic compounds, commonly used in consumer products and industrial applications for their water- and grease-resistant properties, are now found practically everywhere in the environment.

Arindam Sau, a Ph.D. candidate in the ɫ��ֱ�� Department of Chemistry, along with Colorado State University research colleagues Mihai Popescu and Xin Liu, developed a chemical system that uses light to break down bonds between carbon and fluorine atoms.

While many chemicals will degrade relatively quickly after they’re disposed of, PFAS can stick around for up to 1,000 years. This durability is great for their use in firefighting foams, nonstick cookware, waterproof clothing and even food packaging.

However, their resilience means that they persist in soil, water and even living organisms. They can accumulate over time and affect the health of both ecosystems and humans.

Some initial research has shown potential links between PFAS exposure and various health issues — including cancers, immune system suppression and hormone disruption. These concerns have led scientists to search for effective ways to break down these stubborn chemicals.

We’re a team of researchers who developed a chemical system that uses light to break down bonds between carbon and fluorine atoms. These strong chemical bonds help PFAS resist degradation. We published this work in Nature in November 2024, and we hope this technique could help address the widespread contamination these substances cause.

Why PFAS compounds are so hard to break down

PFAS compounds have carbon-fluorine bonds, one of the strongest in chemistry. These bonds make PFAS incredibly stable. They resist the degradation processes that usually break down industrial chemicals – including hydrolysis, oxidation and microbial breakdown.

Conventional water treatment methods can remove PFAS from water, but these processes merely concentrate the contaminants instead of destroying them. The resulting PFAS-laden materials are typically sent to landfills. Once disposed of, they can still leach back into the environment.

The current methods for breaking carbon-fluorine bonds depend on use of metals and very high temperatures. For example, platinum metal can be used for this purpose. This dependence makes these methods expensive, energy-intensive and challenging to use on a large scale.

How our new photocatalytic system works

The new method our team has developed uses a purely organic photocatalyst. A photocatalyst is a substance that speeds up a chemical reaction using light, without being consumed in the process. Our system harnesses energy from cheap blue LEDs to drive a set of chemical reactions.

After absorbing light, the photocatalyst transfers electrons to the molecules containing fluorine, which breaks down the sturdy carbon-fluorine bonds.

By directly targeting and dismantling the molecular structure of PFAS, photocatalytic systems like ours hold the potential for complete mineralization. Complete mineralization is a process that transforms these harmful chemicals into harmless end products, like hydrocarbons and fluoride ions, which degrade easily in the environment. The degraded products can then be safely reabsorbed by plants.

A wide variety of products can contain PFAS. (Graphic: City of Riverside, California)

Potential applications and benefits

One of the most promising aspects of this new photocatalytic system is its simplicity. The setup is essentially a small vial illuminated by two LEDs, with two small fans added to keep it cool during the process. It operates under mild conditions and does not use any metals, which are often hazardous to handle and can sometimes be explosive.

The system’s reliance on light – a readily available and renewable energy source – could make it economically viable and sustainable. As we refine it, we hope that it could one day operate with minimal energy input, outside of the energy powering the light.

This platform can also transform other organic molecules that contain carbon-fluorine bonds into valuable chemicals. For instance, thousands of fluoroarenes are commonly available as industrial chemicals and laboratory reagents. These can be transformed into building blocks for making a variety of other materials, including medicines and everyday products.

Challenges and future directions

While this new system shows potential, challenges remain. Currently, we can degrade PFAS only on a small scale. While our experimental setup is effective, it will require substantial scaling up to tackle the PFAS problem on a larger level. Additionally, large molecules with hundreds of carbon-fluorine bonds, like Teflon, do not dissolve into the solvent we use for these reactions, even at high temperatures.

As a result, the system currently can’t break down these materials, and we need to conduct more research.

We also want to improve the long-term stability of these catalysts. Right now, these organic photocatalysts degrade over time, especially when they’re under constant LED illumination. So, designing catalysts that retain their efficiency over the long term will be essential for practical, large-scale use. Developing methods to regenerate or recycle these catalysts without losing performance will also be key for scaling up this technology.

With our colleagues at the Center for Sustainable Photoredox Catalysis, we plan to keep working on light-driven catalysis, aiming to discover more light-driven reactions that solve practical problems. SuPRCat is a National Science Foundation-funded nonprofit Center for Chemical Innovation. The teams there are working to develop reactions for more sustainable chemical manufacturing.

The end goal is to create a system that can remove PFAS contaminants from drinking water at purification plants, but that’s still a long way off. We’d also like to one day use this technology to clean up PFAS-contaminated soils, making them safe for farming and restoring their role in the environment.

Arindam Sau is a Ph.D. candidate in the ɫ��ֱ�� Department of Chemistry; Mihai Popescu is a postdoctoral associate in chemistry at Colorado State University; Xin Liu is a postdoctoral scholar in chemistry at Colorado State University.

This article is republished from The Conversation under a Creative Commons license. Read the original article.

We developed a way to use light to dismantle PFAS ‘forever chemicals’ – long-lasting environmental pollutants.

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Top image: PFAS foam washed up on beach (Photo: Michigan Department of Environment, Great Lakes and Energy)

Andrés Montoya-Castillo earns 2024 Packard Fellowship for Science and Engineering

Anonymous — Tue, 22 Oct 2024 13:43:24 +0000

Andrés Montoya-Castillo earns 2024 Packard Fellowship for Science and Engineering Anonymous (not verified) Tue, 10/22/2024 - 07:43

ɫ��ֱ�� chemist will use the five-year support to study tailoring cycles affecting energy flow in solar energy conversion

Andrés Montoya-Castillo, an assistant professor in the ɫ��ֱ�� Department of Chemistry, has been awarded a 2024 Packard Fellowship for Science and Engineering.

The fellowships, given by the David and Lucille Packard Foundation, are awarded to innovative early-career scientists and engineers, who receive $875,000 over five years to pursue their research.

“These scientists and engineers are the architects of tomorrow, leading innovation with bold ideas and unyielding determination,” said Nancy Lindborg, president and chief executive officer of the Packard Foundation, in announcing the 2024 awards. “Their work today will be the foundation for the breakthroughs of the future, inspiring the next wave of discovery and invention.”

Montoya-Castillo is a theoretical chemist who leads a lab that encompasses multidisciplinary skills spanning physical chemistry, condensed matter physics and quantum information science.

Explaining his research that the fellowship will support, Montoya-Castillo notes, “The world’s growing population faces looming food shortages and the pressing need for cheap and sustainable energy sources. Reliable conversion of sunlight–our most abundant energy source–into fuel can address these threats. However, reliable energy conversion requires knowing how to tailor, at an atomic level, photoprotection cycles limiting food production and energy flow in solar cells that convert sunlight into fuel.”

He adds that he “will harness the power of generalized master equations to develop efficient, atomically resolved theories and analysis tools that cut the cost of experiments needed to reveal how to employ chemical modifications to manipulate photoprotection cycles in plants and the photocatalytic activity of metal oxides. Our developments will offer transformative insights into fundamental excitation dynamics in complex materials, enabling the boosting of photosynthetic crop production and optimization of environmentally friendly semiconductors that split water into clean fuels.”

Last year, Montoya-Castillo was named a U.S. Department of Energy Early Career Research Program scientist and earlier this year received the ɫ��ֱ�� Marinus Smith Award, which recognizes faculty and staff members who have had a particularly positive impact on students. He received his BA in chemistry and literature from Macaulay Honors College, CUNY, and his PhD in chemical physics from Columbia University.

“I’m honored and thrilled to be part of the Packard Fellows class of 2024!” Montoya-Castillo says. “With the help of the Packard Foundation's funding, I look forward to finding new ways to measure and control nonequilibrium energy flow for human use.”

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ɫ��ֱ�� chemist will use the five-year support to study tailoring cycles affecting energy flow in solar energy conversion.

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Separating gases is hard but might get easier, researchers find

Anonymous — Thu, 27 Jun 2024 18:11:05 +0000

Separating gases is hard but might get easier, researchers find Anonymous (not verified) Thu, 06/27/2024 - 12:11

Rachel Sauer

In newly published study, ɫ��ֱ�� chemist Wei Zhang details a new porous material that is less expensive and more sustainable

For a broad range of industries, separating gases is an important part of both process and product—from separating nitrogen and oxygen from air for medical purposes to separating carbon dioxide from other gases in the process of carbon capture or removing impurities from natural gas.

Separating gases, however, can be both energy-intensive and expensive. “For example, when separating oxygen and nitrogen, you need to cool the air to very low temperatures until they liquefy. Then, by slowly increasing the temperature, the gases will evaporate at different points, allowing one to become a gas again and separate out,” explains Wei Zhang, a ɫ��ֱ�� professor of chemistry and chair of the Department of Chemistry.

“It’s very energy intensive and costly.”

Wei Zhang, a ɫ��ֱ�� professor of chemistry, developed a porous material that can accommodate and separate many different gases and is made from common, readily available materials.

Much gas separation relies on porous materials through which gases pass and are separated. This, too, has long presented a problem, because these porous materials generally are specific to the types of gases being separated. Try sending any other types of gas through them, and they don’t work.

However, in research published today in the journal Science, Zhang and his co-researchers detail a new type of porous material that can accommodate and separate many different gases and is made from common, readily available materials. Further, it combines rigidity and flexibility in a way that allows size-based gas separation to happen at a greatly decreased energy cost.

“We are trying to make technology better,” Zhang says, “and improve it in a way that’s scalable and sustainable.”

Adding flexibility

For a long time, the porous materials used in gas separation have been rigid and affinity-based—specific to the types of gases being separated. The rigidity allows the pores to be well-defined and helps direct the gases in separating, but also limits the number of gases that can pass through because of varying molecule sizes.

For several years, Zhang and his research group worked to develop a porous material that introduces an element of flexibility to a linking node in otherwise rigid porous material. That flexibility allows the molecular linkers to oscillate, or move back and forth at a regular speed, changing the accessible pore size in the material and allowing it to be adapted to multiple gases.

“We found that at room temperature, the pore is relatively the largest and the flexible linker barely moves, so most gases can get in,” Zhang says. “When we increase the temperature from room temperature to about 50 degrees (Celsius), oscillation of the linker becomes larger, causing effective pore size to shrink, so larger gases can’t get in. If we keep increasing the temperature, more gases are turned away due to increased oscillation and further reduced pore size. Finally, at 100 degrees, only the smallest gas, hydrogen, can pass through.”

The material that Zhang and his colleagues developed is made of small organic molecules and is most analogous to zeolite, a family of porous, crystalline materials mostly composed of silicon, aluminum and oxygen. “It’s a porous material that has a lot of highly ordered pores,” he says. “You can picture it like a honeycomb. The bulk of it is solid organic material with these regular-sized pores that line up and form channels.”

The researchers used a fairly new type of dynamic covalent chemistry that focuses on the boron-oxygen bond. Using a boron atom with four oxygen atoms around it, they took advantage of the reversibility of the bond between the boron and oxygen, which can break and reform again and again, thus enabling self-correcting, error-proof behavior and leading to the formation of structurally ordered frameworks.

“We wanted to build something with tunability, with responsiveness, with adaptability, and we thought the boron-oxygen bond could be a good component to integrate into the framework we were developing, because of its reversibility and flexibility,” Zhang says.

Graphs charting pore size, gas molecule size and gas uptake.

Sustainable solutions

Developing this new porous material did take time, Zhang says: “Making the material is easy and simple. The difficulty was at the very beginning, when we first obtained the material and needed to understand or elucidate its structure—how the bonds form, how angles form within this material, is it two-dimensional or three-dimensional. We had some challenges because the data looked promising; we just didn’t know how to explain it. It showed certain peaks (x-ray diffraction), but we could not immediately figure out what kind of structure those peaks corresponded to."

So, he and his research colleagues took a step back, which can be an important but little-discussed part of the scientific process. They focused on the small-molecule model system containing the same reactive sites as those in their material to understand how molecular building blocks packed in a solid state, and that helped explain the data.

Zhang adds that he and his co-researchers considered scalability in developing this material, since its potential industrial uses would require large amounts, “and we believe this method is highly scalable. The building blocks are commercially available and not expensive, so it could be adopted by industry when the time is right.”

They have applied for a patent on the material and are continuing the research with other building-block materials to learn the substrate scope of this approach. Zhang also says he sees potential to partner with engineering researchers to integrate the material into membrane-based applications.

“Membrane separations generally require much less energy, so in the long term they could be more sustainable solutions,” Zhang says. “Our goal is to improve technology to meet industry needs in sustainable ways.”

Researchers Yiming Hu, Bratin Sengupta, Hai Long, Lacey J. Wayment, Richard Ciora, Yinghua Jin, Jingyi Wu, Zepeng Lei, Kaleb Friedman, Hongxuan Chen and Miao Yu also contributed to this study.

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In newly published study, ɫ��ֱ�� chemist Wei Zhang details a new porous material that is less expensive and more sustainable.

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ɫ��ֱ�� scientist wins Brown Investigator Award

Anonymous — Wed, 29 May 2024 17:48:04 +0000

ɫ��ֱ�� scientist wins Brown Investigator Award Anonymous (not verified) Wed, 05/29/2024 - 11:48

Rachel Sauer

Chemistry Professor Gordana Dukovic will pursue research to develop new insights into solar chemistry

ɫ��ֱ�� scientist Gordana Dukovic has been named a 2024 Brown Investigator Award winner, a recognition that will support her research to develop new insights into solar chemistry.

Dukovic, a professor of chemistry and fellow in the Renewable and Sustainable Energy Institute, is one of eight award recipients from universities across the United States who conduct basic research in chemistry or physics. Each winner will receive up to $2 million distributed over five years.

The Brown Investigator Award is given by the Brown Institute for Basic Sciences at Caltech, which was founded "to support bold investigations with the potential for transformational discoveries that will ultimately benefit humanity,” according to founder Ross M. Brown. It supports mid-career physics and chemistry researchers in the United States who are pursuing new directions of inquiry.

Gordana Dukovic, a ɫ��ֱ�� professor of chemistry, was named one of eight 2024 Brown Investigator Award winners Wednesday.

For Dukovic, that will mean broadening the work that she and the members of her interdisciplinary research group pursue in the field of nanoscience for solar energy harvesting.

“In this work, we often couple nanomaterials with biological catalysts, which are called enzymes,” Dukovic explains. “Nanomaterials can absorb sunlight and then give electrons generated by sunlight to the enzymes, which then do enzyme-catalyzed transformations that make new molecules.

“What we’re finding in our work is that the outcomes of these solar processes are very sensitive to the details of how the nanomaterials interact with enzymes, which are difficult to determine. We know that there are elements of chemical structure that are going to be extremely important for the function of these materials we’re making, but they’re very difficult to see. This award will allow us to adapt and use the tools of electron microscopy in new ways to transform our understanding of the structure of the materials we work with.”

‘This hasn’t been done before’

Because the Brown Investigator Award supports basic science, Dukovic emphasizes that her new area of research isn’t focused on making an existing device more efficient, but on learning how to control the outcomes of light-driven reactions.

“When we try to use sunlight to make new molecules, like fuels or other useful chemicals, there are a lot of other places where the solar energy can go, (including) unproductive pathways where it can go,” she says. “So, we want to understand what controls whether a pathway is going to productive or unproductive and how to enhance the productive pathways.”

Dukovic and her colleagues will explore the role of the structure of the materials that they’re making in determining these photochemical pathways and how they then we can make materials that have efficient photochemical pathways. Ultimately, she says, this may lead to new solar technologies.

“A lot of the chemical products that we use today, such as fuels or fertilizers or other common chemicals, they’re made in really energy-intensive, polluting ways,” Dukovic says. “We want to find ways to use sunlight to make the chemicals that our society uses more sustainable.”

In her lab, Dukovic and her colleagues make semiconductor nanocrystals, which are tiny, light-emitting particles like quantum dots. They then study what happens after these materials absorb sunlight. Sometimes they couple nanocrystals with catalysts like enzymes or other molecules and then study the movement of electrons through the resulting chemical transformations.

Dukovic’s research relies on electron microscopy, but with a unique approach that combines two main types of it: cryo-electron, which is good for studying biomaterials like cells and proteins, and materials electron microscopy “looking at what each technique can learn from the other field,” Dukovic explains. “How can we use these tools together to learn what we need to learn about the structure of materials?

“We’re using tools from the field that have not been used in this way before, so it’s more high-risk, and the (Brown Investigator Award) gives us more time and resources to figure it out, because this hasn’t been done before.”

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Chemistry Professor Gordana Dukovic will pursue research to develop new insights into solar chemistry.

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Josef Michl, chemist who loved mountains, passes away

Anonymous — Wed, 15 May 2024 18:53:36 +0000

Josef Michl, chemist who loved mountains, passes away Anonymous (not verified) Wed, 05/15/2024 - 12:53

ɫ��ֱ�� professor of chemistry recalled as great scientist, teacher, colleague, friend, mentor and lover of the outdoors

Josef Michl, a professor of chemistry at the ɫ��ֱ��, passed away May 13 while on a visit to Prague. He was 85.

Colleagues describe him as a great scientist, teacher, colleague, friend and mentor, as well as a valuable member of the ɫ��ֱ�� Department of Chemistry. Born in Prague and raised in the former Czechoslovakia, Michl joined the department in 1991.

Michl created fields and set research agendas in chemistry, making seminal contributions in diverse disciplines—including organic and inorganic and materials synthesis photochemistry, laser spectroscopy and magnetic resonance and theoretical and computational chemistry. His scientific legacy will echo for generations, colleaugues say.

ɫ��ֱ�� Professer Josef Michl created fields and set research agendas in chemistry, making seminal contributions in diverse disciplines. (Photo: Neuron Foundation)

Equally adept at theoretical and experimental work, Michl was a prolific scientist who published almost 600 articles, held 11 patents and co-authored five books.

He was inducted into the National Academy of Sciences in 1984. Among many other awards he received, he was a member of the American Academy of Arts and Sciences, an honorary member of the Czech Learned Society, a Guggenheim Fellow, a Sloan Fellow and a recipient of the Schrödinger Medal.

He left Czechoslovakia in 1968, completed postdoctoral work with R.S. Becker at the University of Houston, with M. J. S. Dewar at the University of Texas at Austin, with J. Linderberg at Aarhus University, Denmark, and with F. E. Harris at the University of Utah, where he stayed and became a professor in 1975 and served as chairman from 1979-1984.

He held the M. K. Collie-Welch Regents Chair in Chemistry at the University of Texas at Austin from 1986-1990, after which he moved to ɫ��ֱ��. In 2006, he accepted a joint appointment as a research director at the Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague.

Michl held close to a hundred visiting professorships and named lectureships; delivered hundreds of invited lectures at institutions and conferences; served on many professional and editorial boards, advisory councils and committees; and organized several international meetings.

Michl cared deeply about the Department of Chemistry and left a generous gift that will fund the Josef and Sara Michl Chair of Chemistry.

“Josef was a true intellectual whose interests were deep and broad,” colleagues say. He was fluent in a dozen or more languages, studied literature and history, loved the outdoors and traveled the world with his wife, Sara. They hiked many of the planet's mountain ranges.

“When in doubt, go up,” he said, applying this principle to life and work. He inspired many colleagues, students and postdocs who will miss his brilliance, humor and sanguine disposition.

Michl is preceded in death by Sara, who passed away in 2018. He survived by his brother, Jenda, son, Jenda, and his grandson, Mason.

Top photo provided to Economic Magazine by Josef Michl

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ɫ��ֱ�� professor of chemistry recalled as great scientist, teacher, colleague, friend, mentor and lover of the outdoors.

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College of Arts and Sciences professors named 2024 American Academy of Arts and Sciences members

Anonymous — Wed, 24 Apr 2024 19:33:50 +0000

College of Arts and Sciences professors named 2024 American Academy of Arts and Sciences members Anonymous (not verified) Wed, 04/24/2024 - 13:33

Min Han and Arthur Nozik join a distinguished cohort that includes George Clooney and Jhumpa Lahiri

Min Han, a ɫ��ֱ�� distinguished professor of molecular, cellular and developmental biology, and Arthur Nozik, a ɫ��ֱ�� research professor emeritus of chemistry, have been named 2024 members of the American Academy of Arts and Sciences, a cohort that includes Kristine Larson, a ɫ��ֱ�� professor emeritus of aerospace engineering sciences.

The 250 members elected in 2024 “are being recognized for their excellence and invited to uphold the Academy’s mission of engaging across disciplines and divides,” according to an American Academy of Arts and Sciences announcement. The Academy was founded in 1780 to “help a young nation face its challenges through shared purpose, knowledge and ideas.”

The American Academy of Arts and Sciences was founded in 1780 by John Adams, John Hancock and 60 colleagues who "understood that a new republic would require institutions able to gather knowledge and advance learning in service to the public good."

“We honor these artists, scholars, scientists and leaders in the public, non-profit and private sectors for their accomplishments and for the curiosity, creativity and courage required to reach new heights,” noted David Oxtoby, president of the Academy, in the announcement. “We invite these exceptional individuals to join in the Academy’s work to address serious challenges and advance the common good.”

The 2024 cohort also includes actor and producer George Clooney, author Jhumpa Lahiri and Apple CEO Tim Cook.

Han’s research uses Caenorhabditis elegans and mouse models to study diverse biological problems related to animal development, stress response, nutrient sensing and human disease by applying both genetic and biochemical methods.

He and his research colleagues in the Han Lab work to identify and analyze mechanisms by which animals sense the deficiency of specific nutrients, including lipids, nucleotides and micronutrients, and regulate development, reproductivity and food-related behaviors.

Nozik, who also is a senior research fellow emeritus at the National Renewable Energy Laboratory in Golden, has researched the basic phenomena at semiconductor-molecule interfaces and the dynamics of electron relaxation and transfer across these interfaces. The ɫ��ֱ�� Renewable and Sustainable Energy Institute’s Nozik Lecture Series is named in his honor.

Previous years’ ɫ��ֱ�� nominees include Henry Kapteyn, Karolin Luger, Alison Jaggar and Natalie Ahn, among many others. In all, 42 ɫ��ֱ�� faculty members have been named American Academy of Arts and Sciences fellows.

Top image: Min Han (left) and Arthur Nozik.

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Min Han and Arthur Nozik join a distinguished cohort that includes George Clooney and Jhumpa Lahiri.

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From molecule movement to coastal flooding, CU scientists push boundaries

Anonymous — Wed, 27 Sep 2023 17:49:32 +0000

From molecule movement to coastal flooding, CU scientists push boundaries Anonymous (not verified) Wed, 09/27/2023 - 11:49

Rachel Sauer

Researchers Andrés Montoya-Castillo and Julia Moriarty are named U.S. Department of Energy Early Career Researchers, receiving multiyear funding

Two ɫ��ֱ�� researchers have been selected as U.S. Department of Energy Early Career Research Program scientists, a designation intended to support the next generation of U.S. STEM leaders.

Andrés Montoya-Castillo, an assistant professor in the Department of Chemistry, and Julia Moriarty, an assistant professor in the Department of Atmospheric and Oceanic Sciences and a fellow in the Institute of Arctic and Alpine Research, are among 93 early-career scientists from across the United States whose research spans astrophysics and artificial intelligence to fusion-energy and quantum materials. The 93 scientists will share in $135 million in research funding for projects of up to five years.

“Supporting America’s scientists and researchers early in their careers will ensure the United States remains at the forefront of scientific discovery,” U.S. Secretary of Energy Jennifer M. Granholm states in the awards announcement. “The funding … gives the recipients the resources to find the answers to some of the most complex questions as they establish themselves as experts in their fields.”

Understanding how molecules dance

Montoya-Castillo’s research is guided, in part, by the need to know which molecules are “going to be good candidates for some technological adventure,” he says. “We need to know how that molecule interacts with light.”

Researcher Andrés Montoya-Castillo studies molecular movement to better understand how they absorb energy.

One of the biggest challenges to understanding molecules is the fact that they don’t stop moving. Far from the static picture on a textbook page, molecules “are always dancing, always jiggling about,” Montoya-Castillo says. “When they jiggle about, sometimes photons or little particles of light that they wouldn’t have been able to absorb, now they can. Or the opposite could be true: They can’t absorb particles we thought they could, because they’re jiggling about, or can’t do it as well.”

Knowing how molecules in liquids and solids absorb light has the potential to support the development of everything from more efficient solar cells to organic semiconductors and biological dyes. But knowing molecules means knowing how they dance, a longtime roadblock in designing materials that maximize energy conversion, say, or enhance quantum computing.

So, Montoya-Castillo and his research group will attack this problem with statistics. “One of deepest aspects of theoretical chemistry is saying, ‘OK, we have a random-looking process. What kind of statistics does this random process follow?” he says. “We’re looking to bridge the randomness to establish a fully predictive simulation.”

The researchers will initially apply their techniques to porphyrins, which are molecules prevalent everywhere on Earth and involved in everything from oxygen transport to energy transfer; they cause the red in blood and the green in plants. Montoya-Castillo notes that porphyrins are ideal for testing the techniques because they are highly tunable and are critical ingredients in natural and artificial energy conversion.

“One of the questions we’re asking is, ‘How do we arrive at design principles to make the next generation of photo catalysts or energy conversion devices, the next generation of quantum computing or quantum sensing?’” he says.

“To do this, we need to achieve two things. The first is realize when our wonderful theories and models are not sufficient to predict and explain the physics that one gets from experiment and generalize our approach. We are doing that by developing the theoretical framework required to predict the spectra of molecules whose constant jiggling makes it difficult to know when they will absorb photons.

“The second is to exploit the current models when they work to give us insight. And fast. To tackle this second challenge, we’re working on being able to exploit experimental data to parameterize the model automatically and use this as a starting point to predict how molecules interact with light. Then we’ll be able to match our predictions to experiment, refine the model and our understanding, and speed up feedback loop of theory-experiment-design, which has traditionally been a very computationally complex and expensive procedure.

He adds that, “One of the final things we’re doing is developing a machine-learning framework to reduce this huge computational cost so we can really accelerate the pathway to tweaking these molecules to get some technological advances going for us.”

Climate change and coastal flooding

For Moriarty, a coast oceanographer by training, the path to her DOE-supported research began with a practical observation: As storms become slower and wetter because of climate change, they are dumping a lot more rain on coastal areas. Couple that with sea level rise caused by climate change, and coastal urban centers are increasingly at risk for floods.

Julia Moriarity, a ɫ��ֱ�� researcher, uses process-based and statistical machine-learning modeling to understand how flooding affects coastal areas.

“When urban areas flood, you can have sewage systems flood, water-treatment plants flood, nuclear power plants flood, because all these facilities have to be located near water,” Moriarty says. “So, the question is: when a flood causes polluted water to enter the local waterways, what’s that polluted water’s fate?”

Not only can floods contaminate local waterways by spreading bacterial or even radioactive contaminants into them, but they can unleash a cascade of events in which excess nutrient levels can stimulate harmful algae blooms, reduce oxygen levels in the water and reduce water clarity and quality, sometimes leading to “dead zones.”

Moriarty’s research combines process-based and statistical machine-learning modeling to analyze how floods of coastal infrastructure affect pollutant and nutrient fluxes in local waterways, and their impact on biogeochemical processes. A significant aim is to better understand how extreme floods degrade water quality and which aspects of flooding are predictable and which are not.

“If something’s predictable, it’s a lot easier to plan for it,” Moriarty says.

The research will use Baltimore, Maryland, as a case study, in collaboration with the Baltimore Social-Environmental Collaborative (BSEC) Urban Integrated Field Laboratory. Using data from the Energy Exascale Earth System Model climate model, as well as a new Baltimore hydrodynamic-biogeochemistry model, Moriarty and her research team aim to better understand how coastal urban flooding impacts local waterway biogeochemistry in different climate scenarios.

Further, the researchers want to use a combination of machine learning and sensitivity tests of the process-based model they develop to scale up what they learn from local observations in Baltimore to coastal-urban systems worldwide.

“The better we can understand and predict these events, the better we can plan for them,” Moriarty says. “It costs a lot less to mitigate risks in advance of events than to clean them up afterward.”

Top image: Glenn Asakawa/ɫ��ֱ��

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Researchers Andrés Montoya-Castillo and Julia Moriarty are named U.S. Department of Energy Early Career Researchers, receiving multiyear funding.

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