Ammonia Synthesis via an Associative Mechanism on Alkaline Earth Metal Sites of Ca3 CrN3 H.
ChemSusChem
; 16(22): e202300234, 2023 Nov 22.
Article
en En
| MEDLINE
| ID: mdl-37114507
Typically, transition metals are considered as the centers for the activation of dinitrogen. Here we demonstrate that the nitride hydride compound Ca3 CrN3 H, with robust ammonia synthesis activity, can activate dinitrogen through active sites where calcium provides the primary coordination environment. DFT calculations also reveal that an associative mechanism is favorable, distinct from the dissociative mechanism found in traditional Ru or Fe catalysts. This work shows the potential of alkaline earth metal hydride catalysts and other related 1 D hydride/electrides for ammonia synthesis.
Texto completo:
1
Bases de datos:
MEDLINE
Tipo de estudio:
Risk_factors_studies
Idioma:
En
Revista:
ChemSusChem
Asunto de la revista:
QUIMICA
/
TOXICOLOGIA
Año:
2023
Tipo del documento:
Article
País de afiliación:
Japón