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author:

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

Indexed by:

EI Scopus SCIE

Abstract:

The creation of active sites on semiconductor catalysts for the adsorption of N-2 and dissociation of nonpolar N equivalent to N bond is a key issue for photocatalytic N-2 reduction reaction (PNRR). According to density function theory calculation on MoS2, the Mo rather than the S edge sites are active, and those on basal planes not. It is disclosed that Mn doping is an effective way to boost the activity of MoS2 by modifying the edge sites. The Mn-modified MoS2 has higher exposure of Mo edge sites due to the formation of S vacancies. It is noted that the activity of original Mo edge sites remains unaltered, while the inertness of S edge sites for N-2 adsorption moderated. Furthermore, the injection of electrons into the N equivalent to N bond is promoted, leading to lowering of energy barrier for N-2 reduction. Finally, through a simple hydrothermal method we prepared MoS2 that is rich in edge sides at the basal plane by Mn doping. High ammonia production rate of up to 213.2 mu mol g(-1)h(-1) is achieved, which is 5.3 times that of pristine MoS2 and superior to most of the reported MoS2-based photocatalysts in the absence of sacrificial agent.

Keyword:

Density functional theory calculations Mn doping MoS2 edge site N-2 adsorption and activation Photocatalytic ammonia synthesis

Community:

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

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Source :

CHEMICAL ENGINEERING JOURNAL

ISSN: 1385-8947

Year: 2022

Volume: 442

1 5 . 1

JCR@2022

1 3 . 4 0 0

JCR@2023

ESI Discipline: ENGINEERING;

ESI HC Threshold:66

JCR Journal Grade:1

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 33

SCOPUS Cited Count: 37

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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