Residential College | false |
Status | 已發表Published |
Two-Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single-Atom Catalyst for Oxygen Reduction Reaction | |
Li, Feifei1; Ai, Haoqiang2; Shen, Shiying1; Geng, Jiazhong1; Ho Lo, Kin2; Pan, Hui1,3 | |
2022-03-22 | |
Source Publication | ChemSusChem |
ISSN | 1864-5631 |
Volume | 15Issue:6Pages:e202102537 |
Abstract | Two-dimensional carbon nitride (2DCN) materials have emerged as an important class of 2D materials beyond graphene. However, 2DCN materials with nodal-line semimetal characteristic are rarely reported. In this work, a new nodal-line semimetal 2DCN with the stoichiometry CN is designed by using density functional theory (DFT) calculations and its application to anchor single-atom catalysts (SACs) for the oxygen reduction reaction (ORR) is investigated. CN is a planar covalent network (sp hybridization) with regular holes formed by the four N atoms, which is dynamically, thermodynamically, and mechanically stable. The nodal line is contributed by the p orbitals of C and p orbitals of N atoms. CN shows an anisotropic Fermi velocity and high electron mobility. Because of its porous structure, CN can anchor heteroatoms as SACs for electrocatalysis. CN anchored with Fe or Co is shown to be highly active for the ORR with a rather high half-wave potential of around 0.90 V, which is higher than those of SACs on other carbon nitrides. These findings may provide a new strategy to design novel substrates for SACs. |
Keyword | Carbon Nitride Density Functional Calculations Electrocatalysis Oxygen Reduction Reaction Semimetals |
DOI | 10.1002/cssc.202102537 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Chemistry ; Science & Technology - Other Topics |
WOS Subject | Chemistry, Multidisciplinary ; Green & Sustainable Science & Technology |
WOS ID | WOS:000752267700001 |
Scopus ID | 2-s2.0-85124561056 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | DEPARTMENT OF ELECTROMECHANICAL ENGINEERING INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | Pan, Hui |
Affiliation | 1.Institute of Applied Physics and Materials Engineering, University of Macau, Macao 2.Department of Electromechanical Engineering Faculty of Science and Technology, University of Macau, Macao 3.Department of Physics and Chemistry, Faculty of Science and Technology, University of Macau, Macao |
First Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING; Faculty of Science and Technology |
Recommended Citation GB/T 7714 | Li, Feifei,Ai, Haoqiang,Shen, Shiying,et al. Two-Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single-Atom Catalyst for Oxygen Reduction Reaction[J]. ChemSusChem, 2022, 15(6), e202102537. |
APA | Li, Feifei., Ai, Haoqiang., Shen, Shiying., Geng, Jiazhong., Ho Lo, Kin., & Pan, Hui (2022). Two-Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single-Atom Catalyst for Oxygen Reduction Reaction. ChemSusChem, 15(6), e202102537. |
MLA | Li, Feifei,et al."Two-Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single-Atom Catalyst for Oxygen Reduction Reaction".ChemSusChem 15.6(2022):e202102537. |
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