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Conjugated Electron Donor⁻Acceptor Hybrid Polymeric Carbon Nitride as a Photocatalyst for CO
- Source :
- Molecules
- Publication Year :
- 2019
-
Abstract
- This work incorporates a variety of conjugated donor-acceptor (DA) co-monomers such as 2,6-diaminopurine (DP) into the structure of a polymeric carbon nitride (PCN) backbone using a unique nanostructure co-polymerization strategy and examines its photocatalytic activity performance in the field of photocatalytic CO2 reduction to CO and H2 under visible light irradiation. The as-synthesized samples were successfully analyzed using different characterization methods to explain their electronic and optical properties, crystal phase, microstructure, and their morphology that influenced the performance due to the interactions between the PCN and the DPco-monomer. Based on the density functional theory (DFT) calculation result, pure PCN and CNU-DP15.0 trimers (interpreted as incorporation of the co-monomer at two different positions) were extensively evaluated and exhibited remarkable structural optimization without the inclusion of any symmetry constraints (the non-modified sample derived from urea, named as CNU), and their optical and electronic properties were also manipulated to control occupation of their respective highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). Also, co-polymerization of the donor–acceptor 2,6-diamino-purine co-monomer with PCN influenced the chemical affinities, polarities, and acid–base functions of the PCN, remarkably enhancing the photocatalytic activity for the production of CO and H2 from CO2 by 15.02-fold compared than that of the parental CNU, while also improving the selectivity.
- Subjects :
- Light
Nitrogen
Polymers
Photoelectron Spectroscopy
DFT calculation
Electrons
Carbon Dioxide
Catalysis
Article
polymeric carbon nitride
X-Ray Diffraction
CO2 reduction
Nitriles
Spectroscopy, Fourier Transform Infrared
donor-acceptor
Electrochemistry
Spectrophotometry, Ultraviolet
Adsorption
Carbon-13 Magnetic Resonance Spectroscopy
Oxidation-Reduction
photocatalysis
Subjects
Details
- ISSN :
- 14203049
- Volume :
- 24
- Issue :
- 9
- Database :
- OpenAIRE
- Journal :
- Molecules (Basel, Switzerland)
- Accession number :
- edsair.pmid..........9ce318308106ca3d88dc8d187b792e47