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author:

Hu, Biao (Hu, Biao.) [1] | Wang, Bing-Hao (Wang, Bing-Hao.) [2] | Chen, Lang (Chen, Lang.) [3] | Bai, Zhang-Jun (Bai, Zhang-Jun.) [4] | Zhou, Wei (Zhou, Wei.) [5] | Guo, Jun-Kang (Guo, Jun-Kang.) [6] | Shen, Sheng (Shen, Sheng.) [7] | Xie, Ting-Liang (Xie, Ting-Liang.) [8] | Au, Chak-Tong (Au, Chak-Tong.) [9] | Jiang, Li-Long (Jiang, Li-Long.) [10] (Scholars:江莉龙) | Yin, Shuang-Feng (Yin, Shuang-Feng.) [11]

Indexed by:

EI Scopus SCIE

Abstract:

In the design of photocatalysts for ammonia synthesis, the construction of effective nitrogen (N-2) adsorption and activation sites is critical. Herein, Fe single atoms were effectively fixed on the surfaces of WO2.72-x nanowires. Electronic interactions between single Fe atoms and WO2.72-x resulted in a d-band center shift toward the Fermi level and thus enhancement of N-2 bonding with the catalyst surface. The studies of differential charge density and electron localization reveal that there is enhanced electron transfer from Fe-SA/WO2.72-x to the adsorbed N-2, signifying that Fe single atoms are active centers for N-2 activation. Benefiting from electronic interactions, the optimized catalyst shows a NH(4)( )(+)generation rate of 186.5 mu mol g(-1 )h(-1) during photocatalytic N-2 reduction.

Keyword:

density functional theory electronic interaction N-2 adsorption N N bond activation photocatalytic nitrogen fixation single-atom catalysts

Community:

  • [ 1 ] [Hu, Biao]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 2 ] [Wang, Bing-Hao]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 3 ] [Chen, Lang]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 4 ] [Bai, Zhang-Jun]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 5 ] [Zhou, Wei]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 6 ] [Guo, Jun-Kang]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 7 ] [Shen, Sheng]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 8 ] [Xie, Ting-Liang]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 9 ] [Yin, Shuang-Feng]Hunan Univ, Coll Chem & Chem Engn, Adv Catalyt Engn Res Ctr,Minist Educ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Peoples R China
  • [ 10 ] [Chen, Lang]Jishou Univ, Coll Chem & Chem Engn, Jishou 416000, Peoples R China
  • [ 11 ] [Au, Chak-Tong]Fuzhou Univ, Coll Chem Engn, Fuzhou 350002, Peoples R China
  • [ 12 ] [Jiang, Li-Long]Fuzhou Univ, Coll Chem Engn, Fuzhou 350002, Peoples R China

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ACS CATALYSIS

ISSN: 2155-5435

Year: 2022

Issue: 19

Volume: 12

1 2 . 9

JCR@2022

1 1 . 7 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

ESI HC Threshold:74

JCR Journal Grade:1

CAS Journal Grade:1

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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