Molecular Matchmakers That Power Our World
From the fuel in our cars to the fertilizers that grow our food and the medicines that heal us, approximately 90% of the chemical products we encounter daily depend on catalytic processes at some stage of their production 1 .
Despite their crucial importance, understanding exactly how catalysts work at the most fundamental level has long challenged scientists. The intricate molecular dance between catalysts and the substances they transform—what researchers call "catalytic encounters at the molecular level"—has remained largely hidden from direct observation. That is, until recent groundbreaking research began to reveal the astonishing secret lives of these molecular marvels, overturning decades-old assumptions and opening new frontiers in chemical engineering 1 .
This article explores the cutting-edge science of catalysis, highlighting the honored work of Professor Manos Mavrikakis and other researchers who are peering into the molecular realm to uncover mysteries that could transform how we produce everything from energy to medicines.
Imagine you're trying to start a campfire with damp wood. You could struggle for hours with matches, or you could use a firestarter that ignites easily and helps the damp wood catch flame without being consumed itself. This is precisely what catalysts do at the molecular level—they enable and accelerate chemical reactions without being used up in the process.
At their core, catalysts work by providing an alternative pathway for chemical reactions to occur, one that requires less energy than the uncatalyzed reaction. They achieve this through their unique surface structures that can temporarily bind to reactant molecules, positioning them perfectly to form new bonds or break old ones with minimal energy input.
Catalysts facilitate reactions without being consumed
Reduce energy requirements for chemical processes
Essential for 90% of chemical products
The field of catalysis research has been revolutionized by Professor Gabor A. Somorjai, whose pioneering work transitioned catalysis from a macroscopic art to a molecular-scale science. The award named in his honor recognizes creative research in catalysis, particularly the work of Professor Manos Mavrikakis, who has made extraordinary contributions to our understanding of these molecular encounters 2 3 4 .
"What everybody has assumed is that metal-metal bonds remain intact during the reactions they catalyze. So here, for the first time, we asked the question, 'Could the energy to break bonds in reactants be of similar amounts to the energy needed to disrupt bonds within the catalyst?'"
For decades, the prevailing view among chemists was that catalyst surfaces remained largely static and rigid during reactions. The tightly-packed atoms of metal catalysts were thought to provide stable "landing spots" where reactant molecules could adhere and interact, with the catalyst itself maintaining its structural integrity throughout the process. This "rigid-surface model" formed the foundation of catalytic science for generations.
That conventional wisdom was dramatically overturned by recent research led by Professor Manos Mavrikakis at the University of Wisconsin-Madison. His team's computational models revealed a startling truth: the energy provided to facilitate many catalytic reactions is sufficient to break the bonds between metal atoms in the catalyst itself 1 .
The answer, according to their modeling, was a resounding yes. Under reaction conditions, single metal atoms can pop loose from the catalyst surface and begin traveling, eventually forming clusters that serve as highly active sites where chemical reactions can occur much more readily than on the original rigid surface 1 .
While Mavrikakis' team used powerful computational modeling to reveal catalyst dynamics, other researchers have developed ingenious methods to directly observe these processes. In a landmark study published in Nature Materials in 2025, scientists at the Fritz Haber Institute made surprising discoveries about catalyst behavior during nitrate reduction—a reaction important for converting waste nitrates back into ammonia for fertilizers 5 .
Electrochemical Liquid Cell Transmission Electron Microscopy allowed direct observation of catalyst changes
Determined whether pre-catalysts transformed into expected phases during reaction
Provided additional verification of chemical transformations occurring
The researchers discovered that the copper-based catalysts didn't behave as expected. Rather than transforming completely into a single metallic state, they maintained a mixed composition of copper metal, copper oxide, and copper hydroxide for extended periods during operation 5 .
"It is unexpected that we get different phases during reaction especially when we start from a single form of a single element pre-catalyst. More importantly, this mixed state can be maintained for a long time, which is valuable insight if we want to design more efficient catalysts"
The exact composition and structure of this mixture depended critically on several factors:
Modern catalysis research employs an impressive array of specialized techniques and technologies that allow scientists to observe and manipulate matter at the atomic scale. These tools have been instrumental in revealing the dynamic nature of catalysts:
| Tool/Technique | Function | Key Insight Provided |
|---|---|---|
| Computational Modeling | Simulates atomic-scale interactions | Predicted catalyst surface dynamics |
| Electrochemical Liquid Cell TEM | Direct visualization of catalysts in liquid environments | Revealed catalyst restructuring during reaction |
| X-ray Spectroscopy | Determines chemical composition and phase | Identified mixed catalyst phases |
| Atom Probe Tomography | Real-time atomic-scale observation with electric field control | Showed how electric fields affect catalyst oxidation |
| Scanning Tunneling Microscopy | Provides atomic-resolution surface images | Confirmed defect influence on catalyst behavior |
Chemical products using catalysts
Global energy used in key catalytic processes
Major reactions studied
Advanced observation techniques
The implications of these discoveries extend far beyond academic interest. Catalytic processes account for a staggering portion of global energy consumption. Just three catalytic reactions—steam-methane reforming to produce hydrogen, ammonia synthesis for fertilizers, and methanol synthesis—use nearly 10% of the world's energy 1 .
"If you decrease the temperatures at which you have to run these reactions by only a few degrees, there will be an enormous decrease in the energy demand that we face as humanity today. By decreasing the energy needs to run all these processes, you are also decreasing their environmental footprint"
The new understanding of catalyst dynamics enables precisely this kind of optimization. By designing catalysts that take advantage of the dynamic nature of their surfaces, rather than assuming they're static, scientists can develop more efficient and selective catalytic processes that operate under milder conditions with reduced energy requirements.
As our understanding of catalytic encounters deepens, several exciting frontiers are emerging:
Research into nitrate reduction for ammonia synthesis offers a more sustainable alternative to the traditional energy-intensive Haber-Bosch process, potentially revolutionizing agricultural chemistry 5 .
These technologies are being harnessed to predict catalyst behavior and design new materials with tailored properties, dramatically accelerating the discovery process 6 .
Scientists are exploring ways to precisely control the dynamic movement of individual atoms on catalyst surfaces to create ultra-efficient reaction sites 1 .
New catalyst designs could significantly reduce the environmental footprint of chemical manufacturing, making processes greener and more sustainable.
Advanced computational methods and AI are dramatically shortening the time needed to discover and optimize new catalytic materials.
The once-static picture of catalysts as rigid platforms has been permanently replaced by a dynamic vision of dancing atoms and evolving surfaces. This paradigm shift in our understanding, driven by the honored work of Professor Mavrikakis and other pioneering researchers, reminds us that even in well-established fields, revolutionary discoveries await those who ask fundamental questions with new tools and fresh perspectives.
As we continue to unravel the complexities of catalytic encounters at the molecular level, we move closer to a future where chemical processes are vastly more efficient, environmentally friendly, and precisely controlled. The secret lives of catalysts, once hidden from view, are now being revealed in all their dynamic complexity—and these revelations promise to transform the chemical landscape of our world in ways we're only beginning to imagine.
The next time you fill your car with fuel, take medication, or use a plastic product, remember the molecular matchmakers that made it possible—and the scientists who are still uncovering their secrets.