Catalysis is fundamental to the chemical industry and daily life, serving as a cornerstone for producing a vast array of chemical products and enabling technologies such as fuel cells and exhaust catalysts. At the heart of many catalytic processes lies platinum—an element renowned for its remarkable ability to accelerate chemical reactions. Despite its unmatched versatility and effectiveness, platinum’s rarity, high cost, and environmentally taxing production necessitate that it be used as efficiently as possible. Maximizing the catalytic potential of every single platinum atom has become a critical scientific objective, pushing researchers to rethink how catalysts are designed and understood at the atomic scale.
Recent advances have propelled the development of “single-atom catalysts,” a cutting-edge concept where isolated platinum atoms are dispersed on porous host materials rather than clustered in larger particles. These host materials, often composed of nitrogen-doped carbon frameworks, provide anchoring sites that stabilize individual platinum atoms, ensuring that nearly every atom is catalytically active. This strategy theoretically makes the most of platinum resources, potentially revolutionizing catalyst efficiency and sustainability. However, the precise nature of these single platinum atoms and their local atomic interactions had remained elusive, limiting efforts to optimize these materials.
A collaborative research team led by Javier Pérez-Ramírez and Christophe Copéret, affiliated with ETH Zurich, along with experts from the Universities of Lyon and Aarhus, has now unveiled a deeper layer of complexity in single-atom platinum catalysts. Their groundbreaking study employs nuclear magnetic resonance (NMR) spectroscopy—a technique better known for its medical application in MRI—as a powerful analytical tool to probe the subtle electronic and atomic environments of platinum atoms on catalyst surfaces. This innovative application of NMR reveals that individual platinum atoms inhabit a variety of distinct local environments, each shaping their catalytic behavior in unique ways.
Electron microscopy, the conventional method for observing single atoms, has limitations. While it can visually confirm the presence and distribution of single platinum atoms, it provides scant information about their electronic and chemical surroundings, which are crucial for catalytic function. By contrast, NMR spectroscopy detects the magnetic properties of atomic nuclei, which shift in response to their neighboring atoms’ identities and spatial arrangements. Applying this method to platinum atoms anchored on nitrogen-doped carbon allows researchers to detect subtle differences in resonance frequencies influenced by adjacent atoms like carbon, nitrogen, or oxygen, and even by the orientation of these atoms relative to the magnetic field.
Interpreting the complex NMR data proved a formidable challenge akin to identifying individual instruments playing in a symphony orchestra with overlapping sounds. A serendipitous meeting during a conference within the NCCR Catalysis program set the stage for a vital interdisciplinary collaboration. There, the team connected with a simulation expert from Aarhus, whose computational skills were instrumental in developing a computer code capable of deconvoluting the myriad NMR signals from individual platinum atoms. This software effectively filtered through the spectral “noise,” isolating the unique signatures corresponding to distinct platinum coordination environments.
With this novel methodology, the researchers succeeded in creating a detailed “map” of atomic surroundings for each isolated platinum atom on the catalyst surface. The map illustrates how platinum interacts with neighboring atoms, providing insights into the distribution and configuration of active sites. Beyond enhancing the fundamental understanding of catalyst structure at an unprecedented resolution, this work establishes a new analytical benchmark for single-atom catalysis. By making it possible to precisely characterize and tailor the local environment of platinum atoms, the method opens a pathway toward highly efficient catalyst design optimized at the atomic level.
The practical implications are multifold: production protocols can now be fine-tuned to yield catalysts with homogeneous and individually tailored platinum sites, potentially reducing the amount of platinum required while boosting performance. Moreover, the ability to define catalysts’ atomic environments with such precision has significant intellectual property ramifications. The research team notes that this level of characterization enables robust patent protection, safeguarding innovations in catalyst design and encouraging commercial development.
This breakthrough not only refines how scientists visualize and understand single-atom catalysts but also underscores the power of interdisciplinary cooperation in tackling complex scientific problems. Leveraging NMR spectroscopy in this unconventional application demonstrates creativity in methodology, bridging chemistry, physics, and computational science. The resulting insight into platinum’s coordination environments may fuel further advances across a broad spectrum of catalytic technologies, from clean energy solutions to sustainable chemical manufacturing.
Looking forward, the research aims to extend this NMR-based approach beyond platinum to other precious metals and catalytic systems. By unraveling the nuances of atomic-scale interactions, scientists hope to uncover new mechanisms of catalysis and identify atomic configurations that deliver superior performance. As the quest for sustainable and cost-effective catalysts intensifies, such atomic-level precision in characterization is poised to become a crucial tool in the global drive to mitigate environmental impact and optimize resource use.
The publication of these findings in a leading scientific journal marks a significant milestone in the catalysis field. It illustrates how advanced spectroscopic techniques combined with sophisticated simulations can break new ground in understanding materials that are vital for modern technology. This research not only deepens scientific insight but also holds the promise to transform industrial processes and environmental technologies reliant on platinum-based catalysis.
In summary, the pioneering use of nuclear magnetic resonance spectroscopy to map the coordination environments of single platinum atoms ushers in a new era of catalysis research. By revealing the intricate atomic landscape that governs catalytic behavior, this approach equips scientists with the knowledge needed to craft next-generation catalysts that are both more efficient and sustainable. As global challenges call for smarter material design, such innovations represent a beacon of progress at the convergence of fundamental science and practical application.
Subject of Research: Single-atom platinum catalysts and their atomic coordination environments characterized by nuclear magnetic resonance spectroscopy.
Article Title: Coordination environments of Pt single-atom catalysts from NMR signatures
News Publication Date: June 4, 2025
Web References:
https://doi.org/10.1038/s41586-025-09068-x
References:
Koppe J, Yakimov AV, Gioffrè D et al. Coordination environments of Pt single-atom catalysts from NMR signatures. Nature 642, 613–619 (2025). DOI: 10.1038/s41586-025-09068-x
Keywords
Platinum catalysis, single-atom catalysts, nuclear magnetic resonance, NMR spectroscopy, catalyst characterization, coordination environment, atomic mapping, computational simulation, nitrogen-doped carbon, catalytic efficiency, catalyst optimization, intellectual property in catalysis
