Active and stable Fe-based catalyst, mechanism, and key role of alkali promoters in ammonia synthesis

• Published in: Journal of catalysis Vol. 394; pp. 353 - 365
• Main Authors: Al Maksoud, Walid, Rai, Rohit K., Morlanés, Natalia, Harb, Moussab, Ahmad, Rafia, Ould-Chikh, Samy, Anjum, Dalaver, Hedhili, Mohamed N., Al-Sabban, Bedour E., Albahily, Khalid, Cavallo, Luigi, Basset, Jean-Marie
• Format: Journal Article
• Language: English
• Published: Elsevier Inc 01.02.2021
• Subjects: activation energy; active sites; alkali metals; Alkali promoters; ammonia; Ammonia synthesis; carbon; carbon dioxide; catalysts; catalytic activity; Electronic and geometrical effects; emissions; Gibbs free energy; iron; Iron phthalocyanines; leaves; methane production; nitrogen; Non-dissociative mechanism; pressure; pyrolysis; synthesis; Alkali promoters; Electronic and geometrical effects; MS; Ammonia synthesis; Iron phthalocyanines; XRD; TGA; FePc; SI; Non-dissociative mechanism; TPR; TOS; XPS; WHSV; ICP-OES

[Display omitted] •Cs and K impact drastically the Fe NPs dispersed on N-C support material toward ammonia synthesis.•A core–shell structure of the Fe NPs obtained with Fe(0) located on core and surrounded by Cs or K oxides.•The DFT reveals a geometrical repartition of alkali, leading to a larger nu...