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[期刊论文]

p-d orbital hybridization induced by CuGa2 promotes selective N2 electroreduction

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author:

Chen, Bin (Chen, Bin.) [1] | Zheng, Chaoyang (Zheng, Chaoyang.) [2] | Shi, Dehuan (Shi, Dehuan.) [3] | Unfold

Indexed by:

SCIE

Abstract:

In the quest to align with industrial benchmarks, a noteworthy gap remains in the field of electrochemical nitrogen fixation, particularly in achieving high Faradaic efficiency (FE) and yield. The electrocatalytic nitrogen fixation process faces considerable hurdles due to the difficulty in cleaving the highly stable NN triple bond. Additionally, the electrochemical pathway for nitrogen fixation is often compromised by the concurrent hydrogen evolution reaction (HER), which competes aggressively for electrons and active sites on the catalyst surface, thereby reducing the FE of nitrogen reduction reaction (NRR). To surmount these challenges, this study introduces an innovative bimetallic catalyst, CuGa2, synthesized through p-d orbital hybridization to selectively facilitate N2 electroreduction. This catalyst has demonstrated a remarkable NH3 yield of 9.82 mu g h-1 cm-2 and an associated FE of 38.25%. Our findings elucidate that the distinctive p-d hybridization interaction between Ga and Cu enhances NH3 selectivity by reducing the reaction energy barrier for hydrogenation and suppressing hydrogen evolution. This insight highlights the significance of p-d orbital hybridization in optimizing the electrocatalytic performance of CuGa2 for nitrogen fixation.

Keyword:

Bimetallic catalyst CuGa 2 alloy Electrochemical nitrogen fixation Liquid metals p -d orbital hybridization

Community:

  • [ 1 ] [Chen, Bin]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China
  • [ 2 ] [Zheng, Chaoyang]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China
  • [ 3 ] [Shi, Dehuan]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China
  • [ 4 ] [Huang, Yi]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China
  • [ 5 ] [Deng, Renxia]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China
  • [ 6 ] [Wei, Yang]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China
  • [ 7 ] [Liu, Zheyuan]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China
  • [ 8 ] [Yu, Yan]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China
  • [ 9 ] [Zhong, Shenghong]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China

Reprint 's Address:

  • 于岩 钟升红

    [Yu, Yan]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China;;[Zhong, Shenghong]Fuzhou Univ, Coll Mat Sci & Engn, Key Lab Adv Mat Technol, Fuzhou 350108, Peoples R China

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Source :

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

ISSN: 0254-5861

Year: 2025

Issue: 1

Volume: 44

5 . 9 0 0

JCR@2023

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count:

30 Days PV: 2

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