Helga Dogg Flosadottir, Arnar Sveinbjörnsson*, Atmonia, Iceland; Egill Skúlason, Fatemeh Hanifpour, Friðrik Magnus, Younes Abghoui, Jian Yang, University of Iceland, Iceland
15th Annual NH3 Fuel Conference, Pittsburgh, PA, October 31, 2018
NH3 Energy+ Topical Conference at the AIChE Annual Meeting
Density functional theory simulations have shed light on reaction mechanisms, rate limiting steps and minimum energy paths for reactions to occur, in vacuum as well as in various media. Using that, we have selected certain criteria and revealed a few metal nitride surfaces that should be efficient and selective catalysts for nitrogen reduction in water. Recently, experimental confirmation was acquired for one of the surfaces. A novel methodology was developed where electrochemical catalysis chamber was directly connected in-line with a flow injection analysis method, providing direct detection of reaction rate and catalyst current efficiency, which is then further confirmed with isotope labelling. Aiming to optimize our catalysts in the following years, we have founded Atmonia ltd. for developing the process and business model.
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