Dr. Abdoulaye Djire, a chemical engineering professor at Texas A&M University, is leading a team of researchers exploring how two-dimensional materials known as MXenes could redefine the way renewable energy and sustainable chemical production are achieved. Their work, investigates how the unique properties of these layered materials can be tuned to improve efficiency in the electrochemical production of ammonia; one of the most essential chemicals in agriculture and industry.
Yoo, R. M. S., Ngozichukwu, B., Yesudoss, D. K., Lai, H.-E., Arole, K., Green, M. J., Balbuena, P. B., & Djire, A. (2025). Vibrational Property Tuning of MXenes Revealed by Sublattice N Reactivity in Polar and Nonpolar Solvents. Journal of the American Chemical Society, 147(12), 10104–10117. https://doi.org/10.1021/jacs.4c13878
The team’s findings arrive at a time when the scientific community is increasingly searching for clean, efficient, and decentralized alternatives to traditional industrial processes. The production of ammonia, in particular, has long relied on the Haber–Bosch process; a high-temperature, high-pressure reaction responsible for both feeding the world and consuming vast quantities of fossil-derived energy. By examining the structure and reactivity of MXenes, Dr. Djire’s group hopes to reveal a path toward greener chemical manufacturing that aligns with the demands of the renewable energy era.
Dr. Abdoulaye Djire, from Texas A&M University stated,
“I feel that one of the most important parts of this research is the ability of Raman spectroscopy to reveal the lattice nitrogen reactivity. This reshapes the understanding of the electrocatalytic system involving MXenes.
MXenes, first discovered just over a decade ago, are a family of two-dimensional compounds composed of transition-metal carbides and nitrides. Their atomic-scale thickness and highly adjustable surface chemistry make them ideal candidates for catalytic and electrochemical applications. Dr. Djire’s research focuses on how subtle structural changes; particularly replacing carbon atoms with nitrogen within the MXene lattice; can significantly alter the material’s electronic and vibrational behavior. These changes may improve how MXenes interact with nitrogen and hydrogen during ammonia synthesis, potentially enabling more efficient reactions under milder conditions.
The research challenges a long-standing assumption in materials science: that the catalytic performance of transition-metal materials depends primarily on the type of metal used. Instead, Djire and his collaborators, including Dr. Perla Balbuena and Ph.D. candidate Ray Yoo, propose that lattice composition, atomic vacancies, and vibrational dynamics play equally important roles in determining how materials behave during electrocatalytic reactions. This approach reframes how catalysts are understood and engineered, opening new possibilities for designing materials with precisely tailored reactivity.
According to Yoo, the team’s experiments using Raman spectroscopy provided crucial insights into how nitrogen atoms embedded within the MXene structure respond under electrochemical conditions. Raman spectroscopy, a non-destructive technique that probes the vibrations of molecules and lattices, allowed the researchers to monitor in real time how the structure of titanium nitride MXene shifted during catalytic operation. The findings revealed that modifying nitrogen sites could influence the overall reaction pathway for ammonia formation, suggesting that these sites play an active role rather than serving as inert structural components.
In parallel with experimental studies, computational modeling led by Ph.D. student Hao-En Lai in Dr. Balbuena’s group helped explain how solvents and surface terminations affect the stability and reactivity of MXenes. Using first-principles simulations, the group quantified how polar and nonpolar solvents interacted with the MXene surface, influencing its ability to absorb and convert nitrogen molecules. Together, the experimental and computational work paint a more complete picture of how MXenes function under realistic electrochemical conditions.
Nitride-based MXenes, in particular, are showing promise as efficient electrocatalysts. Studies from other research groups have demonstrated that they can achieve measurable ammonia yields under mild conditions, outperforming their carbide counterparts in both selectivity and energy efficiency. These results have led scientists to consider MXenes as one of the most promising material classes for electrochemical nitrogen reduction; the process of converting atmospheric nitrogen into ammonia using electricity rather than fossil fuels.
However, as with most emerging materials, challenges remain. Many MXene catalysts still operate at low reaction rates and modest faradaic efficiencies when compared to industrial benchmarks. Issues such as surface oxidation, degradation during prolonged use, and difficulty scaling production need to be addressed before MXenes can move from laboratory prototypes to commercial applications. Despite these hurdles, the ability to engineer their structure at the atomic level offers a rare degree of control, one that could eventually make electrochemical ammonia synthesis economically competitive.
From an engineering standpoint, the implications of this work extend far beyond chemistry. If MXene-based catalysts can enable low-temperature, low-pressure ammonia production, they could support modular systems powered directly by renewable electricity. Such systems could operate near wind or solar farms, or even in remote agricultural regions, producing fertilizer on-site without relying on centralized plants. This would represent a shift not only in materials science but also in how chemical infrastructure is conceived; smaller, cleaner, and more adaptable to renewable power.
Dr. Djire emphasizes that the broader goal is not only to identify a single high-performing catalyst but to develop a deeper understanding of how structure and environment govern material behavior. By learning how atomic-scale changes influence macroscopic performance, engineers and chemists can design next-generation catalysts for a variety of reactions — from ammonia synthesis to hydrogen evolution and carbon dioxide reduction. This knowledge-driven approach could form the foundation for a more sustainable chemical industry.
As researchers continue to probe MXenes, several directions are emerging. Long-term studies are focusing on improving stability under continuous operation, ensuring that the materials maintain performance over thousands of reaction cycles. Others are exploring how MXenes can be integrated into full electrochemical cells, assessing performance under realistic power fluctuations typical of renewable energy inputs. Economic assessments are also under way to evaluate whether scalable MXene synthesis methods can be developed without excessive cost or environmental burden.
For now, MXenes represent one of the most versatile material platforms available to scientists. Their layered structure, metallic conductivity, and surface tunability allow for a degree of engineering rarely possible in other catalyst systems. While it is still early in their technological journey, the continued cross-disciplinary collaboration between chemists, materials scientists, and process engineers will determine whether MXenes can truly reshape the future of sustainable ammonia production.
Dr. Djire’s work demonstrates that progress in renewable energy depends as much on understanding fundamental materials behavior as it does on large-scale system design. By bridging both perspectives, his team’s findings bring us closer to a world where the production of critical chemicals can occur with less waste, lower emissions, and greater efficiency. MXenes may not yet have achieved the title of a “wonder material” in practice, but they are offering a clear vision of how materials engineering can align with the global push for sustainable technology.
Adrian graduated with a Masters Degree (1st Class Honours) in Chemical Engineering from Chester University along with Harris. His master’s research aimed to develop a standardadised clean water oxygenation transfer procedure to test bubble diffusers that are currently used in the wastewater industry commercial market. He has also undergone placments in both US and China primarely focused within the R&D department and is an associate member of the Institute of Chemical Engineers (IChemE).
