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Work function regulation of nitrogen-doped carbon nanotubes triggered by metal nanoparticles for efficient electrocatalytic nitrogen fixation

文献类型：期刊论文

作者Yuan, Menglei2,3; Bai, Yiling4,5; Zhang, Jingxian2,3; Zhao, Tongkun2,3; Li, Shuwei2,3; He, Hongyan2,3; Liu, Zhanjun3,4; Wang, Zhongde1; Zhang, Guangjin2,3
刊名JOURNAL OF MATERIALS CHEMISTRY A
出版日期2020-12-28
卷号8期号:48页码:26066-26074
ISSN号2050-7488
DOI10.1039/d0ta08914a
英文摘要Cost-effective carbon-based materials are appealing candidates for the electrochemical nitrogen reduction reaction (NRR), while the large bandgap results in a low reactivity and selectivity of the NRR. Work function (W) regulation, altering the electron-transfer ability of carbon materials, is regarded as an encouraging descriptor to enhance the reaction kinetics of the electrochemical NRR, but it has been rarely investigated. To address this issue, Mott-Schottky heterostructural metal/nitrogen-doped carbon nanotubes (M@NCNTs) were designed. Work function theory predicts that systems with a lower W value require smaller extra energy to activate adsorbed N-2 molecules. As expected, Ni@NCNTs with the lowest W value displayed the highest faradaic efficiency of 7.33% compared to the other samples. Theoretical simulations and orbital component analysis revealed that different encapsulated metals could tune the work function of M@NCNTs, especially by inducing an upshift of the Fermi level of the outer NCNTs and accelerating the transfer of electrons from the catalyst surface to the adsorbed N-2 through the upshifted C-N (pi) orbitals, thus guaranteeing the effective activation of N-2 molecules. This work provides a guideline for the rational design of NRR catalysts by tuning the work function.
WOS关键词ELECTROCHEMICAL AMMONIA-SYNTHESIS ; ARTIFICIAL N-2 FIXATION ; AMBIENT CONDITIONS ; REDUCTION ; WATER ; CATALYSTS ; GRAPHENE ; HYBRIDS ; BORON ; NH3
资助项目Major Science and Technology Program for Water Pollution Control and Treatment[2017ZX07402001] ; Key Program for International S&T Cooperation Projects[2018YFE0124600] ; Ministry of Science and Technology of China
WOS研究方向Chemistry ; Energy & Fuels ; Materials Science
语种英语
出版者ROYAL SOC CHEMISTRY
WOS记录号WOS:000601282900047
资助机构Major Science and Technology Program for Water Pollution Control and Treatment ; Key Program for International S&T Cooperation Projects ; Ministry of Science and Technology of China
源URL[http://ir.ipe.ac.cn/handle/122111/42985]  
专题中国科学院过程工程研究所
通讯作者Zhang, Guangjin
作者单位1.Taiyuan Univ Technol, Dept Chem Engn, Taiyuan 030024, Peoples R China
2.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, CAS Key Lab Green Proc Engn, State Key Lab Multiphase Complex Syst,Inst Proc E, Beijing 100190, Peoples R China
3.Univ Chinese Acad Sci, Ctr Mat Sci & Optoeletron Engn, Beijing 100049, Peoples R China
4.Chinese Acad Sci, Inst Coal Chem, State Key Lab Coal Convers, CAS Key Lab Carbon Mat, Taiyuan 030001, Peoples R China
5.Synfuels China Technol Co Ltd, SynCat Beijing, Beijing 101407, Peoples R China
推荐引用方式
GB/T 7714		 Yuan, Menglei,Bai, Yiling,Zhang, Jingxian,et al. Work function regulation of nitrogen-doped carbon nanotubes triggered by metal nanoparticles for efficient electrocatalytic nitrogen fixation[J]. JOURNAL OF MATERIALS CHEMISTRY A,2020,8(48):26066-26074.
APA Yuan, Menglei.,Bai, Yiling.,Zhang, Jingxian.,Zhao, Tongkun.,Li, Shuwei.,...&Zhang, Guangjin.(2020).Work function regulation of nitrogen-doped carbon nanotubes triggered by metal nanoparticles for efficient electrocatalytic nitrogen fixation.JOURNAL OF MATERIALS CHEMISTRY A,8(48),26066-26074.
MLA Yuan, Menglei,et al."Work function regulation of nitrogen-doped carbon nanotubes triggered by metal nanoparticles for efficient electrocatalytic nitrogen fixation".JOURNAL OF MATERIALS CHEMISTRY A 8.48(2020):26066-26074.

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来源：过程工程研究所

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