Concepedia

Ab-initio modelling for gas sensor device: based on Y-doped SnS2 monolayer

Swati Verma, Arun Kumar, Hemant Kumar, Rahul Baghel, Naveen Goel, Mohan L. Verma

Physica E Low-dimensional Systems and Nanostructures · 2021 · 26 citations · 51 references

DOI

Concepts

References

51

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

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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

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The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

Manish Chhowalla, Hyeon Suk Shin, Goki Eda et al. · Nature Chemistry · 2013 · 9.8K citations

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