2023
DOI: 10.1039/d2fd00151a
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Experimental and theoretical investigations on the anti-perovskite nitrides Co3CuN, Ni3CuN and Co3MoN for ammonia synthesis

Abstract: The ammonia synthesis activities of the anti-perovskite nitrides Co3CuN and Ni3CuN have been compared to investigate the possible metal composition-activity relationship. Post-reaction elemental analysis showed that the activity for both...

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Cited by 5 publications
(3 citation statements)
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References 54 publications
(128 reference statements)
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“…The positions of the diffraction peaks are consistent with Ni 4 N (JCPDS No. 36-1300), indicating the successful transformation of Cu 3 N to Ni 4 N. We notice that the standard XRD pattern of Ni 4 N is very similar to that of CuNi 3 N, 44 a ternary nitride with an antiperovskite structure (Figure S1). To rule out the possibility of CuNi 3 N as the final product, energydispersive X-ray spectroscopy (EDS) was performed to analyze the chemical composition.…”
Section: ■ Results and Discussionmentioning
confidence: 74%
“…The positions of the diffraction peaks are consistent with Ni 4 N (JCPDS No. 36-1300), indicating the successful transformation of Cu 3 N to Ni 4 N. We notice that the standard XRD pattern of Ni 4 N is very similar to that of CuNi 3 N, 44 a ternary nitride with an antiperovskite structure (Figure S1). To rule out the possibility of CuNi 3 N as the final product, energydispersive X-ray spectroscopy (EDS) was performed to analyze the chemical composition.…”
Section: ■ Results and Discussionmentioning
confidence: 74%
“…[1][2][3] In this category, antiperovskite nitrides-antiperovskites are similar in crystal structure to perovskites but have an inverted electrical conguration-they stand out as an advanced material with distinctive functionalities 4 such as a negative magnetocaloric effect, [5][6][7] negative thermal expansion, 8,9 ionic conductivity 10,11 and superconductivity. [12][13][14] Recently, these nitrides demonstrated catalytic properties, particularly as nitrogen storage agents for chemical looping ammonia (NH 3 ) production, 15,16 and in the electro-reduction of carbon dioxide. 17 Typically, anti-perovskite compounds are synthesized through solid-state reactions involving the appropriate parental compounds, which usually proceed at around their melting point.…”
Section: Introductionmentioning
confidence: 99%
“…[ 65 ] In addition, Co 3 CuN and Ni 3 CuN also have the characteristics of topographical transformation, but they are unavailable to react with N 2 to reinstate the initial nitrogen content. [ 86 ] The lattice N activity of ternary or even quaternary metal nitrides is complicated under the influence of several factors, and relevant mechanistic and experimental studies are still relatively lacking. However, this field is meaningful for finding effective cyclic N carriers and constitutes an outstanding research direction for improving the performance of CLAP in the future.…”
Section: The Pathways Analysis Of Clapmentioning
confidence: 99%