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Combination of theoretical and in-situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis

Abstract

Manganese nitride related materials are of interest as two-stage reagents for ammonia synthesis via nitrogen chemical looping. However, unless doped with a co-cation, manganese nitrides are thermochemically stable and high temperature is required to produce ammonia under reducing conditions, thereby hindering their use as nitrogen transfer materials. Nevertheless, when lithium is used as dopant, ammonia generation can be observed at a reaction temperature as low as 300°C. In order to develop strategies for the improvement of the reactivity of nitride materials in the context of two-stage reagents, it is necessary to understand the intrinsic role of the dopant in the mechanism of ammonia synthesis. To this end, we have investigated the role of lithium in increasing the manganese nitride reactivity by in-situ neutron diffraction studies and N2 and H2 isotopic exchange reactions supplemented by DFT calculations.

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Article information


Submitted
08 Dec 2019
Accepted
22 Jan 2020
First published
28 Jan 2020

This article is Open Access

Faraday Discuss., 2020, Accepted Manuscript
Article type
Paper

Combination of theoretical and in-situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis

S. Laassiri, C. D. Zeinalipour-Yazdi, N. Bion, R. C. A. Catlow and J. Hargreaves , Faraday Discuss., 2020, Accepted Manuscript , DOI: 10.1039/C9FD00131J

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