Self-assembly synthesis of boron-doped graphitic carbon nitride hollow tubes for enhanced photocatalytic NOx removal under visible light

Zhenyu Wang, Meijuan Chen, Yu Huang, Xianjin Shi, Yufei Zhang, Tingting Huang, Junji Cao, Wingkei Ho, Shun Cheng Lee

Research output: Journal article publicationJournal articleAcademic researchpeer-review

158 Citations (Scopus)


Oriented transfer of electron-hole charge carriers is important during photocatalytic processes. In this study, one-dimensional (1D) tubular B-doped graphitic carbon nitride (g-C3N4) with an effective charge transfer and separation was designed. The doping sites, energy level structure, and photo-generated electron-hole pair separation were predicted using systematical density functional theory (DFT) simulations. The supramolecular precursor for tubular g-C3N4 synthesis, namely melamine·cyanuric acid (M·CA), was controllably synthesized from a single melamine source. Intermolecular hydrogen bonding led to the arrangement of supramolecular aggregate structures into a prismatic crystal architecture during the hydrothermal treatment. The morphology modulation of g-C3N4 from bulk to 1D tubular architecture was realized by calcining the prism-like precursor. B-doped tubular g-C3N4 exhibited a narrower band-gap, multiple reflections of incident light, and oriented transfer of electron-hole charge carriers, which led to a widened light-harvesting range and improved photo-induced electron-hole pair separation and transfer ability. These factors contributed to the photocatalytic activity enhancement towards gaseous NOx degradation under visible light. In this work, a valuable design-fabrication pattern for g-C3N4 modification and engineering via DFT simulations was designed. Moreover, a strategy was developed for the simultaneous foreign atom doping and architecture control of g-C3N4 via the self-assembly of supramolecular precursors.

Original languageEnglish
Pages (from-to)352-361
Number of pages10
JournalApplied Catalysis B: Environmental
Publication statusPublished - 30 Dec 2018


  • 1D tubular g-C3N4
  • B-doping
  • DFT predictions
  • Photocatalytic NO removal
  • Self-assembly

ASJC Scopus subject areas

  • Catalysis
  • General Environmental Science
  • Process Chemistry and Technology


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