Concepedia

Surface P atom grafting of g-C<sub>3</sub>N<sub>4</sub> for improved local spatial charge separation and enhanced photocatalytic H<sub>2</sub> production

Xiao Tian, Yingjie Sun, Jiang-yan He, Xiaojing Wang, Jun Zhao, Shi‐Zhang Qiao, Fa‐tang Li

Journal of Materials Chemistry A · 2019 · 62 citations · 43 references

DOI

Concepts

Abstract

A new surface P atom-grafted g-C<sub>3</sub>N<sub>4</sub> is developed, and the existence form and function of P atom is presented.

References

43

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14