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in the world’s population. While it is still hugely important in today’s society, the Haber-Bosch process consumes a colossal >1% of the global fossil fuel production, due to its use of methane derived H2 as a feedstock. We have investigated two potential routes to sustainable ammonia production, namely by using renewable H2 from water electrolysis or by direct electrochemical reduction of N2. Both of these approaches have significant technological hurdles that must be overcome to be economically viable at the hundreds of Mt/year scale. Coupling the thermal process to renewable hydrogen production requires addressing the implications of intermittent operation, which is particularly challenging given the high pressures/temperatures required to run the Haber- Bosch process today. Thus, the discovery of a more efficient ammonia synthesis catalyst that enables milder operating conditions would mitigate some of these challenges. The direct electrochemical ammonia synthesis process currently suffers from extremely low selectivity, current densities (i.e. kinetic rates), and energy efficiency, which may be improved via electrocatalyst and electrolyte engineering. Close collaboration between theory and experiment will be crucial in tackling these challenges. References 1G. Ertl, “Reactions at surfaces: from atoms to complexity (Nobel Lecture)”, Angewandte Chemie Inter- national Edition, 47, 3524–3535 (2008). 2J. W. Erisman, M. A. Sutton, J. Galloway, Z. Klimont, and W. Winiwarter, “How a century of ammonia synthesis changed the world”, Nature Geoscience, 1, 636 (2008). 3J. G. Chen, R. M. Crooks, L. C. Seefeldt, K. L. Bren, R. M. Bullock, M. Y. Darensbourg, P. L. Holland, B. Hoffman, M. J. Janik, A. K. Jones, M. G. Kanatzidis, P. King, K. M. Lancaster, S. V. Lymar, P. Pfromm, W. F. Schneider, and R. R. Schrock, “Beyond fossil fuel–driven nitrogen transformations”, Science, 360, eaar6611 (2018). 4J. W. Makepeace, T. He, C. Weidenthaler, T. R. Jensen, F. Chang, T. Vegge, P. Ngene, Y. Kojima, P. E. de Jongh, P. Chen, and W. I. F. David, “Reversible ammonia-based and liquid organic hydrogen carriers for high-density hydrogen storage: Recent progress”, International Journal of Hydrogen Energy, 44, 7746– 7767 (2019). 5A. J. Medford, A. Vojvodic, J. S. Hummelshøj, J. Voss, F. Abild-Pedersen, F. Studt, T. Bligaard, A. Nilsson, and J. K. Nørskov, “From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis”, Journal of Catalysis, 328, 36–42 (2015). 6A. Ozaki and K. Aika, “Catalytic activation of dinitrogen”, in Catalysis, Science and Technology, Vol. 1 (Springer, 1981), pp. 87–158. 7D. Sippel, M. Rohde, J. Netzer, C. Trncik, J. Gies, K. Grunau, I. Djurdjevic, L. Decamps, S. L. Andrade, and O. Einsle, “A bound reaction intermediate sheds light on the mechanism of nitrogenase”, Science, 359, 1484–1489 (2018). 58PDF Image | sustainable production of fuels and chemicals
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