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Mechanistic Insights into the Electrochemical Reduction of CO 2 on Cyclo[18]carbon using Density Functional Theory Calculations
Author(s) -
Qin Binhao,
Zhang Qiao,
Li Yuhang,
Yang Guangxing,
Yu Hao,
Peng Feng
Publication year - 2020
Publication title -
chemelectrochem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.182
H-Index - 59
ISSN - 2196-0216
DOI - 10.1002/celc.202000180
Subject(s) - carbon fibers , density functional theory , graphene , electrochemistry , electrochemical reduction of carbon dioxide , materials science , carbon nanotube , carbon dioxide , reduction (mathematics) , nanotechnology , computational chemistry , chemistry , organic chemistry , carbon monoxide , electrode , catalysis , composite number , composite material , mathematics , geometry
Cyclo[18]carbon (C 18 ) as a special molecular allotrope of carbon composed of two‐coordinate carbon atoms has recently been manufactured and characterized by atomic manipulation. Herein, we analyze the electrochemical reduction characteristics of carbon dioxide (CO 2 ) on typical carbon materials (graphene, C 60 , carbon nanotubes and C 18 ) using density functional calculations. Encouragingly, C 18 shows excellent CO 2 reduction activity compared to other carbon materials.