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Author:

Xiao, Yang (Xiao, Yang.) | Qu, Chao (Qu, Chao.) | Zhang, Jingjing (Zhang, Jingjing.) | Chen, Xi (Chen, Xi.) | Wang, Wenjin (Wang, Wenjin.) | Zheng, Xuelong (Zheng, Xuelong.) | Ye, Qing (Ye, Qing.) (Scholars:叶青)

Indexed by:

EI Scopus SCIE

Abstract:

The dissociation of water is essential to water gas shift (WGS) reaction, and the presence of oxygen vacancies can facilitate this key step. Herein, a series of perovskite supported Pd single atoms catalysts were prepared via deposition precipitation method. The incorporation of Pd single atoms can effectively promote the formation of oxygen vacancy on the surface of the catalyst, improving the low temperature reducibility, the ratio of Mn4+ / Mn3+ and O-ads/O-lat compared with support. Among all samples, 0.82 Pd/La0.5Ca0.5MnO3/SBA-15 with the most oxygen vacancies presented 83.6 % CO conversion at 400 degrees C, specific reaction rate (0.54 mol(CO) g(Pd)(-1) h(-1) ), and TOF (3.77.10(-2) s(-1)). DFT calculation proved that Pd doping can effectively decreased energy barrier of H2O dissociation, and promoted the formation of oxygen vacancies. This work provides experimental and theoretical insights into the rational design of highly active perovskite supported Pd single atom catalysts for WGS reaction.

Keyword:

DFT calculation Water gas shift reaction Perovskite Pd single atom Oxygen vacancy

Author Community:

  • [ 1 ] [Xiao, Yang]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 2 ] [Qu, Chao]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 3 ] [Zhang, Jingjing]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 4 ] [Chen, Xi]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 5 ] [Wang, Wenjin]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 6 ] [Zheng, Xuelong]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 7 ] [Ye, Qing]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China

Reprint Author's Address:

  • 叶青

    [Qu, Chao]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China;;[Ye, Qing]Beijing Univ Technol, Coll Environm Sci & Engn, Dept Environm Sci, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China

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Source :

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING

ISSN: 2213-2929

Year: 2025

Issue: 2

Volume: 13

7 . 7 0 0

JCR@2022

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: 3

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