Concepedia

Nitrogen vacancy enhanced photocatalytic selective oxidation of benzyl alcohol in g-C3N4

Xiaolei Bao, Xingshuai Lv, Zeyan Wang, Minrui Wang, Mu Liu, Dujuan Dai, Liren Zheng, Zhaoke Zheng, Hefeng Cheng, Peng Wang,

International Journal of Hydrogen Energy · 2021 · 39 citations · 46 references

DOI

Concepts

References

46

Generalized Gradient Approximation Made Simple

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

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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

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

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations

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A metal-free polymeric photocatalyst for hydrogen production from water under visible light

Xinchen Wang, Kazuhiko Maeda, Arne Thomas et al. · Nature Materials · 2008 · 12.4K citations

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