Concepedia

Blue phosphorus phase GeSe monolayer for nitrogenous toxic gas sensing: A DFT study

Mingfang Kang, Tong Liu, Hongmei Sun, Lin Li, Keliang Wang

Sensors and Actuators A Physical · 2023 · 25 citations · 55 references

DOI

Concepts

References

55

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

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

, , +17

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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

, , +13

Super-tough MXene-functionalized graphene sheets

Tianzhu Zhou, Chao Wu, Yanlei Wang et al. · Nature Communications · 2020 · 570 citations · Full text

, , +17

Brillouin-zone integration by Fourier quadrature: Special points for superlattice and supercell calculations

Sverre Froyen · Physical review. B, Condensed matter · 1989 · 505 citations

, , +11