Knowledge Management System Of Institute of process engineering,CAS
| Work function regulation of nitrogen-doped carbon nanotubes triggered by metal nanoparticles for efficient electrocatalytic nitrogen fixation | |
| Yuan, Menglei1,2; Bai, Yiling3,4; Zhang, Jingxian1,2; Zhao, Tongkun1,2; Li, Shuwei1,2; He, Hongyan1,2; Liu, Zhanjun2,3; Wang, Zhongde5; Zhang, Guangjin1,2 | |
| 2020-12-28 | |
| Source Publication | JOURNAL OF MATERIALS CHEMISTRY A
 |
| ISSN | 2050-7488 |
| Volume | 8Issue:48Pages:26066-26074 |
| Abstract | 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. |
| DOI | 10.1039/d0ta08914a |
| Language | 英语 |
| WOS Keyword | ELECTROCHEMICAL AMMONIA-SYNTHESIS ; ARTIFICIAL N-2 FIXATION ; AMBIENT CONDITIONS ; REDUCTION ; WATER ; CATALYSTS ; GRAPHENE ; HYBRIDS ; BORON ; NH3 |
| Funding Project | 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 Research Area | Chemistry ; Energy & Fuels ; Materials Science |
| WOS Subject | Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary |
| Funding Organization | 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 |
| WOS ID | WOS:000601282900047 |
| Publisher | ROYAL SOC CHEMISTRY |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/42986 |
| Collection | 中国科学院过程工程研究所 |
| Corresponding Author | Zhang, Guangjin |
| Affiliation | 1.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 2.Univ Chinese Acad Sci, Ctr Mat Sci & Optoeletron Engn, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Inst Coal Chem, State Key Lab Coal Convers, CAS Key Lab Carbon Mat, Taiyuan 030001, Peoples R China 4.Synfuels China Technol Co Ltd, SynCat Beijing, Beijing 101407, Peoples R China 5.Taiyuan Univ Technol, Dept Chem Engn, Taiyuan 030024, Peoples R China |
| Recommended Citation 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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