Concepedia

High photocatalytic performance of g-C3N4/WS2 heterojunction from first principles

Jin Qiu, Xianying Dai, Jianjun Song, Kaiwen Pu, Xiaolian Wu, Jiadai An, Tianlong Zhao

Chemical Physics · 2021 · 35 citations · 57 references

DOI

Concepts

References

57

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

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Hybrid functionals based on a screened Coulomb potential

Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof · The Journal of Chemical Physics · 2003 · 19.2K 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

, , +16

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +11

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

Alexandre Tkatchenko, Matthias Scheffler · Physical Review Letters · 2009 · 6.3K citations · Full text

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