2022
DOI: 10.1016/j.ces.2021.117287
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Activating dinitrogen for chemical looping ammonia Synthesis: Mn nitride layer growth modeling

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Cited by 13 publications
(9 citation statements)
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“…According to the Sabatier principle, as mentioned before, the optimum N carrier is expected to have an intermediate nitrogen interaction. The nitridation and denitridation behavior of a series of nitrides are compared by experiments and electronic structure calculations. , Significant generation of ammonia occurred in the temperature range of 250–400 °C for nitrides based on iron, rhenium, cobalt, nickel, copper, and zinc by consuming 10%, 30%, 13%, 30%, 25%, and 15% of their total lattice nitrogen. The depleted lattice nitrogen in these nitrides, however, could hardly be recharged at ambient pressure.…”
Section: Chemical Looping Ammonia Synthesis (Clas)mentioning
confidence: 99%
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“…According to the Sabatier principle, as mentioned before, the optimum N carrier is expected to have an intermediate nitrogen interaction. The nitridation and denitridation behavior of a series of nitrides are compared by experiments and electronic structure calculations. , Significant generation of ammonia occurred in the temperature range of 250–400 °C for nitrides based on iron, rhenium, cobalt, nickel, copper, and zinc by consuming 10%, 30%, 13%, 30%, 25%, and 15% of their total lattice nitrogen. The depleted lattice nitrogen in these nitrides, however, could hardly be recharged at ambient pressure.…”
Section: Chemical Looping Ammonia Synthesis (Clas)mentioning
confidence: 99%
“…The nitridation and denitridation behavior of a series of nitrides are compared by experiments and electronic structure calculations. 52,53 Significant generation of ammonia occurred in the temperature range of 250−400 °C for nitrides based on iron, 54 rhenium, 53 cobalt, 53 nickel, 52 copper, 52 and zinc 52 by consuming 10%, 30%, 13%, 30%, 25%, and 15% of their total lattice nitrogen.…”
Section: Chemical Looping Ammonia Synthesis Mediated By a Transition ...mentioning
confidence: 99%
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“…Fe-based catalysts, as the most widely studied ammonia synthesis catalysts, are known to form [Fe x N] and [Fe x NH] surface quasi-compounds that are involved in the reaction. , In addition, transition metal nitride catalysts, as novel catalysts for ammonia synthesis, involve lattice nitrogen hydrogenation and nitrogen vacancy-assisted activation of nitrogen gas molecules at high temperatures for ammonia production, employing a distinct reaction mechanism compared to metal catalysts. This process usually follows the Mars–van Krevelen (MvK) mechanism due to the involvement of the lattice nitrogen. These nitride catalysts are also considered as N carriers and transfer reagents. , This process is widely used in both thermocatalytic ammonia synthesis (as well as chemical looping) and electrocatalytic nitrogen reduction reaction. This reaction process depends on the concentration of surface nitrogen vacancies, i.e., the surface state under the reaction atmosphere . Therefore, insight into the dynamic evolution of catalyst surfaces is essential for understanding reaction mechanisms and designing efficient catalysts for ammonia synthesis.…”
Section: Introductionmentioning
confidence: 99%