The future of biofuel catalysis lies in precision-engineered single-atom alloys that efficiently convert bio-oil into hydrogen听
Learn How to convert bio-oil into hydrogen – Tune in now!
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Hydrogen is poised to play a central role in the shift to a low-carbon future, especially when produced cleanly from renewable resources. While most hydrogen today is made from natural gas, bio-oil offers a sustainable, carbon-neutral alternative. The challenge is finding efficient, affordable, and durable catalysts that can convert bio-oil into hydrogen without fouling or degrading.听听
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Researchers at Khalifa University, including Prof. Lourdes Vega, Prof. Kyriaki Polychronopoulou, Dr. Seba AlAreeqi and Dr. Daniel Bahamon, collaborated with researchers from Johns Hopkins University, using advanced computational modeling to design such catalysts from the atom up. By simulating the behavior of nickel-based single-atom alloys (SAAs), the team identified a suite of bimetallic and trimetallic catalysts that could overcome longstanding issues in hydrogen production, including carbon buildup, instability, and low selectivity. They published their results in 听听
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Nickel is already widely used in hydrogen reforming due to its activity and low cost but it suffers from key limitations: it tends to form carbon deposits (known as coking) and it degrades over time. Noble metals like palladium and platinum perform better but are prohibitively expensive.听听
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SAAs 鈥� where individual atoms of one metal are dispersed in a host metal matrix 鈥� offer a way to combine the affordability of base metals like nickel with the performance of more active elements. The challenge is finding stable combinations that avoid clustering and retain activity under high temperatures.听听
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鈥溾�淏y designing catalysts atom by atom, we鈥檝e identified nickel-based alloys that offer a practical path to producing hydrogen from bio-oil 鈥� combining affordability, performance, and long-term stability.鈥�
鈥� Professor Lourdes Vega, Khalifa University.
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The research team used computational design tools to cut through the complexity, screening 26 potential dopant metals to find combinations that met the requirements. Of the bimetallic candidates that passed the initial screening, copper-nickel emerged as a particularly promising catalyst, showing strong hydrogen production and low coking tendencies. To further improve performance, the team also explored trimetallic systems, adding a third metal to harness synergistic interactions between co-dopants, leading to catalysts with finely tuned surface energies, hydrogen binding, and coke resistance.听听
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By using a computational approach, the researchers were able to bypass the slow, costly process of trial-and-error catalyst synthesis. They were also able to include economic criteria to prioritize scalable solutions. With real-world testing, the more promising candidates could become critical components of next-generation hydrogen infrastructure, transforming waste-derived bio-oil into a clean energy source.听听
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Jade Sterling
Science Writer
