Concepedia

Hole-matrixed carbonylated graphene: Synthesis, properties, and highly-selective ammonia gas sensing

Maxim K. Rabchinskii, Alexey S. Varezhnikov, Victor V. Sysoev, Maksim A. Solomatin, Sergei A. Ryzhkov, Dina Yu. Stolyarova, V. V. Shnitov, Sergei S. Pavlov, Demid A. Kirilenko, A. V. Shvidchenko,

Carbon · 2020 · 47 citations · 64 references

DOI

Concepts

References

64

Generalized Gradient Approximation Made Simple

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

, , +16

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

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

Marcus D. Hanwell, Donald Curtis, David Lonie et al. · Journal of Cheminformatics · 2012 · 10.4K citations · Full text

, , +12

Improved tetrahedron method for Brillouin-zone integrations

Peter E. Blöchl, O. Jepsen, O. K. Andersen · Physical review. B, Condensed matter · 1994 · 7.2K citations

, , +12