A defective MoS2 monolayer as an efficient electrocatalyst for the nitrogen reduction reaction: a combined theoretical and experimental study

被引：7
|
作者：
Ma, Chaoqun [1 ]
Yan, Xu [1 ]
He, Hui [1 ]
Liu, Bingping [1 ]
Yan, Shihai [1 ]
机构：
[1] Qingdao Agr Univ, Coll Chem & Pharmaceut Sci, Qingdao 266109, Peoples R China
来源：
SUSTAINABLE ENERGY & FUELS | 2021年 / 5卷 / 09期
基金：
中国国家自然科学基金;
关键词：
D O I：
10.1039/d1se00346a
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The enzymatic mechanism dominates the NRR on S vacancy defective MoS2 (V-S-MoS2) with a Delta G value of 0.48 eV for the potential-determining step (*N-NH -> *NH-NH). Experimentally, V-S-MoS2 exhibits higher yield (29.55 mu g h(-1) mg(cat.)(-1)) and faradaic efficiency (4.58%) than other defective MoS2 catalysts.
引用
收藏
页码：2415 / 2418
页数：4
相关论文
共 50 条
  • [1] MoS2/Nitrogen-doped graphene as efficient electrocatalyst for oxygen reduction reaction
    Zhao, Kai
    Gu, Wei
    Zhao, Longyun
    Zhang, Cuiling
    Peng, Weidong
    Xian, Yuezhong
    [J]. ELECTROCHIMICA ACTA, 2015, 169 : 142 - 149
  • [2] Sulfur-Vacancy Defective MoS2 as a Promising Electrocatalyst for Nitrogen Reduction Reaction under Mild Conditions
    Liu, Bingping
    Ma, Chaoqun
    Liu, Da
    Yan, Shihai
    [J]. CHEMELECTROCHEM, 2021, 8 (16) : 3030 - 3039
  • [3] Acid-engineered defective MoS2 as an efficient electrocatalyst for hydrogen evolution reaction
    Zhang, Wei
    Xie, Zhiyong
    Wu, Xiaobo
    Sun, Min
    Deng, Xiaoting
    Liu, Chunbo
    Liu, Zhijian
    Huang, Qizhong
    [J]. MATERIALS LETTERS, 2018, 230 : 232 - 235
  • [4] Electrochemical Ammonia Synthesis via Nitrogen Reduction Reaction on a MoS2 Catalyst: Theoretical and Experimental Studies
    Zhang, Ling
    Ji, Xuqiang
    Ren, Xiang
    Ma, Yongjun
    Shi, Xifeng
    Tian, Ziqi
    Asiri, Abdullah M.
    Chen, Liang
    Tang, Bo
    Sun, Xuping
    [J]. ADVANCED MATERIALS, 2018, 30 (28)
  • [5] Defective Fe3GeTe2 monolayer as a promising electrocatalyst for spontaneous nitrogen reduction reaction
    Ma, Zuju
    Xiao, Chengwei
    Cui, Zhitao
    Du, Wei
    Li, Qiaohong
    Sa, Rongjian
    Sun, Chenghua
    [J]. JOURNAL OF MATERIALS CHEMISTRY A, 2021, 9 (11) : 6945 - 6954
  • [6] EXPERIMENTAL AND THEORETICAL COMPARATIVE STUDY OF MONOLAYER AND BULK MoS2 UNDER COMPRESSION
    Del Corro, Elena
    Morales-Garcia, Angel
    Pena-Alvarez, Miriam
    Kavan, Ladislav
    Kalbac, Martin
    Frank, Otakar
    [J]. NANOCON 2015: 7TH INTERNATIONAL CONFERENCE ON NANOMATERIALS - RESEARCH & APPLICATION, 2015, : 45 - 50
  • [7] A combined experimental and DFT study on the catalysis performance of a Co-doped MoS2 monolayer for hydrodesulfurization reaction
    Zhang, Xinlin
    Zheng, Yi
    Chen, Jiaxing
    Xue, Haowen
    Liu, Yongjun
    [J]. NEW JOURNAL OF CHEMISTRY, 2022, 46 (11) : 5065 - 5077
  • [8] Forces and electronic transport in a contact formed by a graphene tip and a defective MoS2 monolayer: a theoretical study
    di Felice, D.
    Dappe, Y. J.
    Gonzalez, C.
    [J]. NANOTECHNOLOGY, 2018, 29 (22)
  • [9] Nanocatalysis MoS2/rGO: An Efficient Electrocatalyst for the Hydrogen Evolution Reaction
    Guzman-Olivos, Fernando
    Hernandez-Saravia, Lucas Patricio
    Nelson, Ronald
    Perez, Maria de los Angeles
    Villalobos, Francisco
    [J]. MOLECULES, 2024, 29 (02):
  • [10] Theoretical Screening of Transition Metal Doped Defective MoS2 as Efficient Electrocatalyst for CO Conversion to CH4
    Zheng, Guokui
    Gong, Shun
    Tian, Ziqi
    Wang, Hui
    Zhang, Qiuju
    [J]. CHEMPHYSCHEM, 2022, 23 (03)
12345