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Author:

Chai, Qianqian (Chai, Qianqian.) | Li, Chuanqiang (Li, Chuanqiang.) | Song, Liyun (Song, Liyun.) | Liu, Cui (Liu, Cui.) | Peng, Tao (Peng, Tao.) | Lin, Chuanchuan (Lin, Chuanchuan.) | Zhang, Yangyang (Zhang, Yangyang.) | Li, Shimin (Li, Shimin.) | Guo, Qiang (Guo, Qiang.) | Sun, Shaorui (Sun, Shaorui.) | Dai, Hongxing (Dai, Hongxing.) (Scholars:戴洪兴) | Zheng, Xuxu (Zheng, Xuxu.)

Indexed by:

EI Scopus SCIE

Abstract:

Crystal facet and defect engineering are crucial for designing heterogeneous catalysts. In this study, different solvents were utilized to generate NiO with distinct shapes (hexagonal layers, rods, and spheres) using nickelbased metal-organic frameworks (MOFs) as precursors. It was shown that the exposed crystal facets of NiO with different morphologies differed from each other. Various characterization techniques and density functional theory (DFT) calculations revealed that hexagonal-layered NiO (NiO-L) possessed excellent low-temperature reducibility and oxygen migration ability. The (111) crystal plane of NiO-L contained more lattice defects and oxygen vacancies, resulting in enhanced propane oxidation due to its highest O 2 adsorption energy. Furthermore, the higher the surface active oxygen species and surface oxygen vacancy concentrations, the lower the C -H activation energy of the NiO catalyst and hence the better the catalytic activity for the oxidation of propane. Consequently, NiO-L exhibited remarkable catalytic activity and good stability for propane oxidation. This study provided a simple strategy for controlling NiO crystal facets, and demonstrated that the oxygen defects could be more easily formed on NiO(111) facets, thus would be beneficial for the activation of C -H bonds in propane. In addition, the results of this work can be extended to the other fields, such as propane oxidation to propene, fuel cells, and photocatalysis.

Keyword:

Solvent regulation effect Oxygen vacancy Nickel oxide Density functional theory Propane oxidation Crystal facet engineering

Author Community:

  • [ 1 ] [Chai, Qianqian]Chongqing Jiaotong Univ, Sch Mat Sci & Engn, Chongqing 400074, Peoples R China
  • [ 2 ] [Li, Chuanqiang]Chongqing Jiaotong Univ, Sch Mat Sci & Engn, Chongqing 400074, Peoples R China
  • [ 3 ] [Peng, Tao]Chongqing Jiaotong Univ, Sch Mat Sci & Engn, Chongqing 400074, Peoples R China
  • [ 4 ] [Li, Shimin]Chongqing Jiaotong Univ, Sch Mat Sci & Engn, Chongqing 400074, Peoples R China
  • [ 5 ] [Guo, Qiang]Chongqing Jiaotong Univ, Sch Mat Sci & Engn, Chongqing 400074, Peoples R China
  • [ 6 ] [Zheng, Xuxu]Chongqing Jiaotong Univ, Sch Mat Sci & Engn, Chongqing 400074, Peoples R China
  • [ 7 ] [Song, Liyun]Beijing Univ Technol, Coll Environm Sci & Engn, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 8 ] [Liu, Cui]Beijing Univ Technol, Coll Environm Sci & Engn, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 9 ] [Sun, Shaorui]Beijing Univ Technol, Coll Environm Sci & Engn, Key Lab Beijing Reg Air Pollut Control, Beijing 100124, Peoples R China
  • [ 10 ] [Dai, Hongxing]Beijing Univ Technol, Key Lab Beijing Reg Air Pollut Control, Beijing Key Lab Green Catalysis & Separat, Lab Catalysis Chem & Nanosci,Dept Chem Engn & Tech, Beijing 100124, Peoples R China
  • [ 11 ] [Lin, Chuanchuan]Third Mil Med Univ, Affiliated Hosp 2, Lab Radiat Biol, Dept Blood Transfus, Chongqing 400037, Peoples R China
  • [ 12 ] [Zhang, Yangyang]Third Mil Med Univ, Affiliated Hosp 2, Lab Radiat Biol, Dept Blood Transfus, Chongqing 400037, Peoples R China

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Source :

JOURNAL OF HAZARDOUS MATERIALS

ISSN: 0304-3894

Year: 2024

Volume: 475

1 3 . 6 0 0

JCR@2022

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 7

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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