First-principle calculation study of tri- s -triazine-based g-C 3 N 4 : a review

@inproceedings{Zhu2018FirstprincipleCS,
  title={First-principle calculation study of tri- s -triazine-based g-C 3 N 4 : a review},
  author={Bicheng Zhu and Liuyang Zhang and Bei Cheng and Jiaguo Yu},
  year={2018}
}
Abstract Graphitic carbon nitride (g-C3N4) is an attractive photocatalyst which has appealing visible light absorption, outstanding layered porous structure, high stability and nontoxicity. Many experimental methods have been developed to modify the pristine g-C3N4 and enhanced photocatalytic activities have been witnessed. First-principle calculation based on density functional theory is an effective approach to investigate the structural, electronic, optical and thermodynamic properties of… CONTINUE READING

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Review on design and evaluation of environmental photocatalysts

  • Frontiers of Environmental Science & Engineering
  • 2018
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