A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using density functional theory

In this review, we present the recent progress in ammonia synthesis research using density functional theory (DFT) calculations on various industrial catalysts, metal nitrides and nano-cluster-supported catalysts. The mechanism of ammonia synthesis on the industrial Fe catalyst is generally accepted...

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Veröffentlicht in:	Royal Society open science 2021-11, Vol.8 (11), p.210952-210952, Article 210952
Hauptverfasser:	Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said, Catlow, C. Richard A.
Format:	Artikel
Sprache:	eng
Schlagworte:	ammonia synthesis analysis Chemistry comparative DFT mechanisms Multidisciplinary Sciences reaction mechanism Review Science & Technology Science & Technology - Other Topics
Online-Zugang:	Volltext
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