Concepedia

Metal-doped graphitic carbon nitride (g-C3N4) as selective NO2 sensors: A first-principles study

Aijun Du, Neha S. Gandhi, Yan Jiao, Xiaoyan Lin, Xiong Lu

Applied Surface Science · 2018 · 101 citations · 28 references

DOI

Concepts

References

28

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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Special points for Brillouin-zone integrations

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

, , +6

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +17

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

, , +16

From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

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