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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.
Afiliación
  • Zheng Q; Department of Civil and Environmental Engineering, The George Washington University , Washington, DC 20052, United States.
  • Durkin DP; Department of Chemistry, Johns Hopkins University , Baltimore, Maryland 21218, United States.
  • Elenewski JE; Department of Chemistry, The George Washington University , Washington, DC 20052, United States.
  • Sun Y; Department of Civil and Environmental Engineering, The George Washington University , Washington, DC 20052, United States.
  • Banek NA; Department of Environmental Science and Engineering, Beijing Technology and Business University , Beijing 100048, China.
  • Hua L; Department of Chemistry, The George Washington University , Washington, DC 20052, United States.
  • Chen H; Department of Civil and Environmental Engineering, New Jersey Institute of Technology , Newark, New Jersey 07102, United States.
  • Wagner MJ; Department of Chemistry, The George Washington University , Washington, DC 20052, United States.
  • Zhang W; Department of Chemistry, The George Washington University , Washington, DC 20052, United States.
  • Shuai D; Department of Civil and Environmental Engineering, New Jersey Institute of Technology , Newark, New Jersey 07102, United States.
Environ Sci Technol ; 50(23): 12938-12948, 2016 Dec 06.
Article en En | MEDLINE | ID: mdl-27934277
Graphitic carbon nitride (g-C3N4) 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-C3N4 with improved surface area and charge separation. Density functional theory (DFT) simulations indicated that carbon-doped g-C3N4 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-C3N4. The optimized carbon-doped, supramolecule-based g-C3N4 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-C3N4 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-C3N4, likely due to differences in reactive oxygen species production and/or contaminant-photocatalyst interfacial interactions on different g-C3N4 samples. Moreover, g-C3N4 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-C3N4 for efficient, robust, and sustainable water treatment.
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Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Purificación del Agua / Grafito Tipo de estudio: Prognostic_studies Idioma: En Revista: Environ Sci Technol Año: 2016 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos
Buscar en Google
Añadir a Mi BVS
Imprimir
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PubMed Links

Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Purificación del Agua / Grafito Tipo de estudio: Prognostic_studies Idioma: En Revista: Environ Sci Technol Año: 2016 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos