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author:

Zhang, Yangyu (Zhang, Yangyu.) [1] | Zhou, Yanliang (Zhou, Yanliang.) [2] | Peng, Xuanbei (Peng, Xuanbei.) [3] | Chen, Ming (Chen, Ming.) [4] | Li, Jiaxin (Li, Jiaxin.) [5] | Zhang, Mingyuan (Zhang, Mingyuan.) [6] | Zhang, Tianhua (Zhang, Tianhua.) [7] | Ni, Jun (Ni, Jun.) [8] | Zheng, Lirong (Zheng, Lirong.) [9] | Wang, Xiuyun (Wang, Xiuyun.) [10] | Jiang, Lilong (Jiang, Lilong.) [11]

Indexed by:

SCIE

Abstract:

Molybdenum (Mo) serves as the key site in the nitrogenase enzyme, catalyzing the conversion of N-2 into NH3 under ambient conditions. However, the strong affinity of Mo sites for N-2 hinders H-2 adsorption due to the competitive nature of N-2 and H-2 on a single site, resulting in an unsatisfactory ammonia synthesis performance. Here, we propose an approach of intervening C-60 layer as a second site for H-2 adsorption on two-dimensional Mo2CTx. The C-60 layer thickness is readily tunable by varying its loading content. An optimal C-60 layer significantly enhances the electronic interaction between the C-60 layer and the Mo2CTx layer, leading to a remarkable decrease in the work function and an increase in the electron density of Mo atoms. Therefore, the separate adsorption of N-2 and H-2 on distinct sites is substantially facilitated. The present work offers insights into the correlation between structure and performance in NH3 synthesis catalysts.

Keyword:

ammonia synthesis carbon clusters electronic interaction Mo catalysts N-2 activation

Community:

  • [ 1 ] [Zhang, Yangyu]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 2 ] [Zhou, Yanliang]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 3 ] [Peng, Xuanbei]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 4 ] [Chen, Ming]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 5 ] [Li, Jiaxin]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 6 ] [Zhang, Mingyuan]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 7 ] [Zhang, Tianhua]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 8 ] [Ni, Jun]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 9 ] [Wang, Xiuyun]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 10 ] [Jiang, Lilong]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China
  • [ 11 ] [Peng, Xuanbei]Qingyuan Innovat Lab, Quanzhou, Fujian, Peoples R China
  • [ 12 ] [Wang, Xiuyun]Qingyuan Innovat Lab, Quanzhou, Fujian, Peoples R China
  • [ 13 ] [Jiang, Lilong]Qingyuan Innovat Lab, Quanzhou, Fujian, Peoples R China
  • [ 14 ] [Zheng, Lirong]Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China

Reprint 's Address:

  • [Wang, Xiuyun]Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst, Fuzhou 350002, Fujian, Peoples R China

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Source :

AICHE JOURNAL

ISSN: 0001-1541

Year: 2025

Issue: 6

Volume: 71

3 . 5 0 0

JCR@2023

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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