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Cited by 328

The DOI matches its Crossref record; 91 of the 91 references it cites were found in a registry or an index.

Visible-Light-Responsive Graphitic Carbon Nitride: Rational Design and Photocatalytic Applications for Water Treatment

Zheng, Qinmin, Durkin, David P., Elenewski, Justin E., Sun, Yingxue, Banek, Nathan A., Hua, Likun, Chen, Hanning, Wagner, Michael J., Zhang, Wen, Shuai, Danmeng·2016·Environmental Science & Technology
DOI 10.1021/acs.est.6b02579
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Abstract

Graphitic carbon nitride (g-C 3 N 4 ) has recently emerged as a promising visible-light-responsive polymeric photocatalyst; however, a molecular-level understanding of material properties and its application for water purification were underexplored. In this study, we rationally designed nonmetal doped, supramolecule-based g-C 3 N 4 with improved surface area and charge separation. Density functional theory (DFT) simulations indicated that carbon-doped g-C 3 N 4 showed a thermodynamically stable structure, promoted charge separation, and had suitable energy levels of conduction and valence bands for photocatalytic oxidation compared to phosphorus-doped g-C 3 N 4 . The optimized carbon-doped, supramolecule-based g-C 3 N 4 showed a reaction rate enhancement of 2.3–10.5-fold for the degradation of phenol and persistent organic micropollutants compared to that of conventional, melamine-based g-C 3 N 4 in a model buffer system under the irradiation of simulated visible sunlight. Carbon-doping but not phosphorus-doping improved reactivity for contaminant degradation in agreement with DFT simulation results. Selective contaminant degradation was observed on g-C 3 N 4, likely due to differences in reactive oxygen species production and/or contaminant-photocatalyst interfacial interactions on different g-C 3 N 4 samples. Moreover, g-C 3 N 4 is a robust photocatalyst for contaminant degradation in raw natural water and (partially) treated water and wastewater. In summary, DFT simulations are a viable tool to predict photocatalyst properties and oxidation performance for contaminant removal, and they guide the rational design, fabrication, and implementation of visible-light-responsive g-C 3 N 4 for efficient, robust, and sustainable water treatment.

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Metadata

Authors
Zheng, Q., Durkin, D. P., Elenewski, J. E., Sun, Y., Banek, N. A., Hua, L., Chen, H., Wagner, M. J., Zhang, W., & Shuai, D.
Venue
Environmental Science & Technology
Publisher
American Chemical Society (ACS)
Published
2016-11-17
Volume
50
Issue
23
Pages
12938-12948
ISSN
  • 0013-936X (ISSN-L)
  • 1520-5851
DOI
10.1021/acs.est.6b02579
OpenAlex
W2547105614
Cited by
328
References
91
FWCI
8.49
Type
journal article
Language
en
Open access
closed

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