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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

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

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Bion, Nicholas, Catlow, Richard Charles Arthur and Hargreaves, Justin (2020) Combination of theoretical and in-situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis. Faraday Discussions, 229. pp. 281-296. ISSN 1359-6640 (Print), 1364-5498 (Online) (doi:https://doi.org/10.1039/C9FD00131J)

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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.

Item Type: Article
Uncontrolled Keywords: ammonia synthesis, Li dopants, DFT, in situ
Subjects: Q Science > Q Science (General)
Faculty / Department / Research Group: Faculty of Engineering & Science
Faculty of Engineering & Science > School of Science (SCI)
Last Modified: 24 Aug 2021 12:42
Selected for GREAT 2016: None
Selected for GREAT 2017: None
Selected for GREAT 2018: None
Selected for GREAT 2019: None
Selected for REF2021: None
URI: http://gala.gre.ac.uk/id/eprint/26834

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